#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xe4 s VAL 2 N 0.00 5.33 -0.04 -1.45 0.11 -1.26 -1.75 120.40 121.34 1xe4 s VAL 2 Ca 0.00 0.14 -0.28 0.00 -2.93 0.00 0.00 61.98 58.91 1xe4 s VAL 2 Cb 0.00 -3.32 -0.03 0.00 -1.53 0.00 0.00 36.38 31.51 1xe4 s VAL 2 CO 0.00 0.62 0.90 -0.22 -3.33 0.00 0.00 175.10 173.06 1xe4 s LEU 3 N -1.02 4.32 -0.56 2.54 2.96 0.31 -4.99 118.68 122.26 1xe4 s LEU 3 Ca 0.15 1.48 -0.22 0.00 -0.22 0.00 0.00 54.13 55.32 1xe4 s LEU 3 Cb -0.12 -3.41 0.06 0.00 0.50 0.00 0.00 46.19 43.22 1xe4 s LEU 3 CO 0.04 -0.26 0.81 0.21 -1.32 0.00 0.00 176.35 175.83 1xe4 s ASN 4 N 0.98 6.25 0.07 3.68 2.47 -1.26 -4.69 114.94 122.43 1xe4 s ASN 4 Ca 0.47 -0.78 0.07 0.00 0.42 0.00 0.00 52.86 53.04 1xe4 s ASN 4 Cb -0.19 -2.37 0.33 0.00 -1.45 0.00 0.00 41.25 37.57 1xe4 s ASN 4 CO 0.23 -1.14 1.21 0.18 -3.72 0.00 0.00 177.10 173.86 1xe4 n LEU 5 N 6.95 0.12 -0.73 3.21 7.99 -1.26 -1.23 117.00 132.06 1xe4 n LEU 5 Ca -0.03 0.55 0.13 0.00 -0.01 0.00 0.00 56.01 56.65 1xe4 n LEU 5 Cb 0.46 -0.56 0.32 0.00 -0.11 0.00 0.00 43.42 43.52 1xe4 n LEU 5 CO 0.60 -0.55 0.75 0.59 -1.51 0.00 0.00 177.39 177.27 1xe4 n ASN 6 N -1.66 2.27 -4.23 -1.43 5.03 -1.26 -4.69 115.26 109.28 1xe4 n ASN 6 Ca 0.00 -1.76 -0.42 0.00 0.87 0.00 0.00 54.58 53.28 1xe4 n ASN 6 Cb 0.04 -0.02 -0.06 0.00 -1.02 0.00 0.00 39.78 38.71 1xe4 n ASN 6 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1xe4 s ASP 7 N -1.94 5.96 0.26 6.41 -1.08 -0.37 -4.96 116.67 120.95 1xe4 s ASP 7 Ca 0.33 -2.37 -0.03 0.00 -0.52 0.00 0.00 52.55 49.96 1xe4 s ASP 7 Cb 0.20 -2.05 0.54 0.00 -1.46 0.00 0.00 42.92 40.15 1xe4 s ASP 7 CO 0.31 -0.59 1.65 -0.65 0.52 0.00 0.00 175.17 176.41 1xe4 h PRO 8 N 7.94 0.18 -0.48 4.34 0.11 -1.84 -0.11 132.00 142.14 1xe4 h PRO 8 Ca -0.08 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.00 1xe4 h PRO 8 Cb 1.04 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 1xe4 h PRO 8 CO 0.81 0.12 0.23 0.37 -0.21 0.00 0.00 178.00 179.32 1xe4 h GLN 9 N 0.19 0.70 0.00 1.05 4.15 -1.95 0.12 115.11 119.36 1xe4 h GLN 9 Ca 0.46 -0.10 -0.00 0.00 0.77 0.00 0.00 58.65 59.78 1xe4 h GLN 9 Cb 0.85 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.42 1xe4 h GLN 9 CO -0.62 0.59 -0.00 0.00 -1.93 0.00 0.00 178.83 176.87 1xe4 h ALA 10 N 1.07 -0.01 -0.99 3.38 0.00 -1.58 -2.46 119.26 118.68 1xe4 h ALA 10 Ca 0.17 -0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.17 1xe4 h ALA 10 Cb 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.82 1xe4 h ALA 10 CO -0.02 -0.46 0.61 0.28 0.00 0.00 0.00 179.25 179.65 1xe4 h VAL 11 N -0.09 0.86 -0.73 0.00 2.07 -0.82 -1.33 116.25 116.22 1xe4 h VAL 11 Ca -0.00 -0.31 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 1xe4 h VAL 11 Cb 0.08 -0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 29.69 1xe4 h VAL 11 CO 0.00 0.17 0.31 -0.08 0.02 0.00 0.00 177.57 177.98 1xe4 h GLU 12 N 0.91 1.08 -0.51 1.57 4.22 -0.44 -1.18 114.58 120.23 1xe4 h GLU 12 Ca 0.51 -0.19 -0.10 0.00 0.08 0.00 0.00 59.36 59.66 1xe4 h GLU 12 Cb 0.59 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1xe4 h GLU 12 CO -0.30 0.88 -0.08 -0.09 -2.18 0.00 0.00 179.01 177.24 1xe4 h ARG 13 N 1.04 0.95 -0.14 1.92 2.43 -0.83 -0.69 114.38 119.06 1xe4 h ARG 13 Ca 0.24 -0.34 0.01 0.00 -0.81 0.00 0.00 59.98 59.08 1xe4 h ARG 13 Cb 0.19 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1xe4 h ARG 13 CO -0.02 1.01 0.07 -0.92 -1.51 0.00 0.00 179.97 178.60 1xe4 h TYR 14 N 0.82 0.14 -0.58 2.20 3.20 -1.03 -1.96 116.97 119.76 1xe4 h TYR 14 Ca 0.14 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.97 1xe4 h TYR 14 Cb 0.63 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.83 1xe4 h TYR 14 CO 0.05 0.08 0.22 0.93 -1.64 0.00 0.00 178.16 177.80 1xe4 h GLU 15 N 0.16 0.87 -0.21 1.82 4.39 -1.11 -1.64 114.58 118.86 1xe4 h GLU 15 Ca 0.05 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 1xe4 h GLU 15 Cb 0.00 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.50 1xe4 h GLU 15 CO -0.03 0.76 0.08 0.93 -1.16 0.00 0.00 179.01 179.58 1xe4 h GLU 16 N 0.80 0.29 -0.09 2.33 5.08 -0.90 0.24 114.58 122.33 1xe4 h GLU 16 Ca 0.19 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.38 1xe4 h GLU 16 Cb 0.22 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.42 1xe4 h GLU 16 CO -0.01 0.25 -0.49 0.35 -1.00 0.00 0.00 179.01 178.11 1xe4 h PHE 17 N 0.29 0.66 0.09 4.33 3.57 -1.03 -2.74 116.94 122.11 1xe4 h PHE 17 Ca 0.07 -0.30 -0.00 0.00 3.53 0.00 0.00 57.97 61.28 1xe4 h PHE 17 Cb 0.08 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.72 1xe4 h PHE 17 CO 0.00 1.07 -0.04 0.52 -2.23 0.00 0.00 178.31 177.63 1xe4 h MET 18 N 0.05 -0.11 0.00 1.11 2.86 -0.58 -1.55 114.93 116.72 1xe4 h MET 18 Ca -0.04 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1xe4 h MET 18 Cb 1.14 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.82 1xe4 h MET 18 CO 0.10 -0.00 -0.16 0.00 1.06 0.00 0.00 176.91 177.91 1xe4 h ARG 19 N -0.20 0.00 -0.00 1.72 3.08 -0.65 -3.03 114.38 115.31 1xe4 h ARG 19 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1xe4 h ARG 19 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1xe4 h ARG 19 CO 0.02 0.16 -0.85 1.04 -1.07 0.00 0.00 179.97 179.27 1xe4 n GLN 20 N -3.72 0.19 -2.56 0.04 6.02 -1.03 -4.65 117.38 111.67 1xe4 n GLN 20 Ca -0.02 -0.16 -0.41 0.00 -0.01 0.00 0.00 57.00 56.40 1xe4 n GLN 20 Cb 0.27 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 30.00 1xe4 n GLN 20 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1xe4 s SER 21 N -2.91 7.27 0.00 1.08 0.15 -0.59 -4.90 113.70 113.79 1xe4 s SER 21 Ca 0.10 1.94 0.07 0.00 0.70 0.00 0.00 55.95 58.77 1xe4 s SER 21 Cb 0.17 -2.59 0.30 0.00 -1.71 0.00 0.00 66.02 62.19 1xe4 s SER 21 CO 0.80 -0.27 1.22 -0.81 1.20 0.00 0.00 173.24 175.38 1xe4 n PRO 22 N 3.14 0.00 -0.18 5.44 -0.04 -1.26 -0.66 135.00 141.45 1xe4 n PRO 22 Ca 0.05 0.37 0.11 0.00 -0.04 0.00 0.00 63.50 63.99 1xe4 n PRO 22 Cb 0.48 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.63 1xe4 n PRO 22 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1xe4 n TYR 23 N -1.49 0.46 -1.65 0.54 4.02 -1.26 -4.39 117.16 113.39 1xe4 n TYR 23 Ca 0.02 -0.26 -0.40 0.00 -0.01 0.00 0.00 57.90 57.25 1xe4 n TYR 23 Cb 0.08 -0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.43 1xe4 n TYR 23 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1xe4 n GLY 24 N 1.33 0.04 2.86 2.72 0.00 0.16 -4.69 105.19 107.62 1xe4 n GLY 24 Ca 0.18 0.06 -0.14 0.00 0.00 0.00 0.00 46.02 46.12 1xe4 n GLY 24 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xe4 s GLN 25 N -2.37 0.09 0.42 1.61 -1.52 -1.26 -4.40 119.66 112.23 1xe4 s GLN 25 Ca 0.67 0.01 0.09 0.00 -1.95 0.00 0.00 55.36 54.18 1xe4 s GLN 25 Cb -0.49 -0.16 0.89 0.00 -0.22 0.00 0.00 33.01 33.03 1xe4 s GLN 25 CO 0.53 -0.03 2.04 -0.24 -0.25 0.00 0.00 175.29 177.34 1xe4 h VAL 26 N 5.46 1.11 0.00 1.09 3.04 -1.95 -0.65 116.25 124.34 1xe4 h VAL 26 Ca -0.31 -0.30 0.00 0.00 -1.01 0.00 0.00 66.70 65.08 1xe4 h VAL 26 Cb 1.18 0.72 0.00 0.00 -2.01 0.00 0.00 31.29 31.19 1xe4 h VAL 26 CO 0.50 0.12 0.00 0.35 -1.01 0.00 0.00 177.57 177.53 1xe4 n THR 27 N -4.44 0.00 0.41 3.17 -2.24 -1.26 -2.00 114.28 107.92 1xe4 n THR 27 Ca 0.01 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.84 1xe4 n THR 27 Cb 0.11 -0.62 -0.04 0.00 -2.10 0.00 0.00 70.33 67.68 1xe4 n THR 27 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xe4 n GLN 28 N -0.99 3.88 -1.78 -0.78 1.13 -0.28 -4.56 117.38 113.99 1xe4 n GLN 28 Ca 0.18 -0.07 -0.33 0.00 -1.94 0.00 0.00 57.00 54.83 1xe4 n GLN 28 Cb 0.08 -0.93 0.05 0.00 0.11 0.00 0.00 30.24 29.55 1xe4 n GLN 28 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1xe4 s ASP 29 N -1.75 5.11 0.56 1.08 -1.08 -0.85 -4.58 116.67 115.16 1xe4 s ASP 29 Ca 0.04 2.03 0.33 0.00 -0.52 0.00 0.00 52.55 54.43 1xe4 s ASP 29 Cb 0.07 -2.56 1.61 0.00 -1.46 0.00 0.00 42.92 40.59 1xe4 s ASP 29 CO 0.34 -1.63 2.10 -0.07 0.52 0.00 0.00 175.17 176.43 1xe4 h LEU 30 N 0.10 0.00 -1.77 -1.34 3.38 -1.94 -2.02 115.31 111.73 1xe4 h LEU 30 Ca -0.47 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.47 1xe4 h LEU 30 Cb 1.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 1xe4 h LEU 30 CO 0.54 0.07 -0.15 1.23 0.09 0.00 0.00 178.44 180.22 1xe4 h GLY 31 N 1.09 0.00 1.38 0.83 0.00 -1.90 -2.76 103.07 101.70 1xe4 h GLY 31 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1xe4 h GLY 31 CO 0.01 0.00 0.17 -0.25 0.00 0.00 0.00 176.54 176.47 1xe4 h TRP 32 N 0.00 0.81 -0.12 5.60 2.91 -1.57 -1.49 115.95 122.09 1xe4 h TRP 32 Ca -0.00 -0.06 -0.02 0.00 1.13 0.00 0.00 58.89 59.94 1xe4 h TRP 32 Cb 0.41 -0.24 -0.01 0.00 -0.51 0.00 0.00 29.16 28.81 1xe4 h TRP 32 CO 0.00 0.65 -0.01 0.00 -1.03 0.00 0.00 178.44 178.06 1xe4 h ALA 33 N 1.41 1.76 -0.15 2.65 0.00 -1.65 -0.13 119.26 123.15 1xe4 h ALA 33 Ca 0.18 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1xe4 h ALA 33 Cb 0.22 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1xe4 h ALA 33 CO -0.01 0.19 -0.47 0.87 0.00 0.00 0.00 179.25 179.83 1xe4 h LYS 34 N 0.18 0.38 0.00 0.00 1.57 -1.37 -2.81 116.57 114.52 1xe4 h LYS 34 Ca 0.04 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1xe4 h LYS 34 Cb 0.14 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1xe4 h LYS 34 CO 0.00 0.78 -0.00 0.28 -0.57 0.00 0.00 179.45 179.94 1xe4 h VAL 35 N 0.31 1.40 -0.84 0.50 2.07 -0.96 -3.21 116.25 115.52 1xe4 h VAL 35 Ca 0.02 -1.20 -0.60 0.00 0.82 0.00 0.00 66.70 65.74 1xe4 h VAL 35 Cb 0.95 2.22 -0.11 0.00 -1.52 0.00 0.00 31.29 32.82 1xe4 h VAL 35 CO 0.08 0.31 1.69 0.23 0.02 0.00 0.00 177.57 179.90 1xe4 n MET 36 N -4.85 3.52 0.00 1.57 2.81 -0.17 -4.69 117.12 115.31 1xe4 n MET 36 Ca -0.09 -2.67 0.04 0.00 -1.81 0.00 0.00 57.70 53.17 1xe4 n MET 36 Cb 0.26 -2.44 0.19 0.00 -0.71 0.00 0.00 33.22 30.53 1xe4 n MET 36 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 1xe4 n ASN 37 N 1.81 0.00 0.01 7.83 6.94 -1.07 -1.25 115.26 129.53 1xe4 n ASN 37 Ca 0.59 0.20 0.12 0.00 -0.02 0.00 0.00 54.58 55.47 1xe4 n ASN 37 Cb 0.41 -0.31 0.29 0.00 -2.36 0.00 0.00 39.78 37.82 1xe4 n ASN 37 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1xe4 n ASN 38 N -1.31 0.47 -4.94 0.53 2.04 -1.26 -4.89 115.26 105.89 1xe4 n ASN 38 Ca 0.04 -0.05 -0.20 0.00 -0.44 0.00 0.00 54.58 53.92 1xe4 n ASN 38 Cb 0.06 0.11 -0.02 0.00 -2.53 0.00 0.00 39.78 37.40 1xe4 n ASN 38 CO 0.00 0.00 0.00 0.26 -0.44 0.00 0.00 177.26 177.08 1xe4 s TRP 39 N -3.04 3.20 -0.22 -2.53 0.52 -0.38 -4.99 118.94 111.51 1xe4 s TRP 39 Ca 0.10 -0.15 -0.12 0.00 0.02 0.00 0.00 56.10 55.96 1xe4 s TRP 39 Cb 0.17 -1.74 -0.05 0.00 -1.15 0.00 0.00 33.47 30.70 1xe4 s TRP 39 CO 0.68 0.24 0.24 -2.00 0.02 0.00 0.00 176.95 176.13 1xe4 s GLU 40 N -4.04 4.12 0.03 4.98 2.12 -0.68 -4.85 118.70 120.39 1xe4 s GLU 40 Ca 0.39 -0.10 -0.21 0.00 0.36 0.00 0.00 54.97 55.42 1xe4 s GLU 40 Cb -0.09 -3.52 -0.06 0.00 0.26 0.00 0.00 34.13 30.72 1xe4 s GLU 40 CO 0.29 0.06 0.61 -1.25 -0.54 0.00 0.00 175.26 174.43 1xe4 s PRO 41 N 1.04 4.31 -0.15 4.30 0.04 -1.26 0.30 135.00 143.58 1xe4 s PRO 41 Ca 0.12 0.78 -0.04 0.00 0.04 0.00 0.00 61.00 61.90 1xe4 s PRO 41 Cb -0.14 -3.32 0.07 0.00 0.04 0.00 0.00 34.50 31.16 1xe4 s PRO 41 CO 0.05 0.44 0.19 0.08 0.04 0.00 0.00 177.00 177.79 1xe4 s VAL 42 N -0.44 -0.28 -0.01 -0.36 1.01 -0.57 -4.99 120.40 114.77 1xe4 s VAL 42 Ca 0.31 0.07 0.08 0.00 0.00 0.00 0.00 61.98 62.44 1xe4 s VAL 42 Cb -0.19 -0.52 -0.02 0.00 0.00 0.00 0.00 36.38 35.66 1xe4 s VAL 42 CO 0.18 -0.07 -0.24 -1.81 0.00 0.00 0.00 175.10 173.16 1xe4 s ASP 43 N 2.30 2.83 0.29 3.32 1.01 -1.26 -0.84 116.67 124.31 1xe4 s ASP 43 Ca 0.05 -0.45 0.02 0.00 0.71 0.00 0.00 52.55 52.88 1xe4 s ASP 43 Cb -0.14 -0.31 -0.05 0.00 1.01 0.00 0.00 42.92 43.43 1xe4 s ASP 43 CO -0.09 0.29 0.10 0.68 0.21 0.00 0.00 175.17 176.36 1xe4 s VAL 44 N -0.59 0.63 0.11 -1.27 -7.23 -0.64 -0.53 120.40 110.89 1xe4 s VAL 44 Ca 0.09 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 58.01 1xe4 s VAL 44 Cb -0.09 -2.63 0.07 0.00 0.56 0.00 0.00 36.38 34.29 1xe4 s VAL 44 CO -0.01 0.00 0.89 -0.72 -0.31 0.00 0.00 175.10 174.96 1xe4 s TYR 45 N -3.62 -0.23 0.14 2.82 -0.85 -0.72 -1.25 117.35 113.64 1xe4 s TYR 45 Ca 0.36 -0.03 0.10 0.00 -0.52 0.00 0.00 57.07 56.99 1xe4 s TYR 45 Cb 0.07 0.61 -0.04 0.00 0.38 0.00 0.00 41.96 42.98 1xe4 s TYR 45 CO 0.15 -0.77 -0.24 -0.51 -1.52 0.00 0.00 175.55 172.66 1xe4 s LEU 46 N -2.78 2.35 0.26 -3.49 1.43 0.51 -0.31 118.68 116.65 1xe4 s LEU 46 Ca 0.09 -0.77 0.12 0.00 -1.03 0.00 0.00 54.13 52.54 1xe4 s LEU 46 Cb -0.02 -1.07 -0.05 0.00 0.03 0.00 0.00 46.19 45.09 1xe4 s LEU 46 CO -0.02 0.11 -0.21 -1.61 0.23 0.00 0.00 176.35 174.85 1xe4 s GLU 47 N -2.23 1.64 0.00 1.70 2.02 -1.26 -1.15 118.70 119.42 1xe4 s GLU 47 Ca 0.13 -1.71 0.00 0.00 0.02 0.00 0.00 54.97 53.41 1xe4 s GLU 47 Cb -0.09 -1.79 0.00 0.00 0.10 0.00 0.00 34.13 32.35 1xe4 s GLU 47 CO 0.06 0.35 0.00 -0.40 0.02 0.00 0.00 175.26 175.29 1xe4 n ASP 48 N -0.41 0.00 0.27 -0.19 3.85 -0.03 -4.84 116.55 115.20 1xe4 n ASP 48 Ca -0.07 -0.81 0.17 0.00 -0.71 0.00 0.00 54.79 53.38 1xe4 n ASP 48 Cb 0.59 0.00 0.74 0.00 -1.35 0.00 0.00 41.12 41.10 1xe4 n ASP 48 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 1xe4 h ASP 49 N 0.00 0.00 -0.10 -1.12 3.32 -2.02 -2.27 116.42 114.23 1xe4 h ASP 49 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xe4 h ASP 49 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1xe4 h ASP 49 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 1xe4 n GLN 50 N -2.97 1.60 -1.01 3.56 3.00 -1.26 -4.90 117.38 115.40 1xe4 n GLN 50 Ca 0.00 -0.89 -0.00 0.00 -0.01 0.00 0.00 57.00 56.10 1xe4 n GLN 50 Cb 0.26 -1.41 -0.00 0.00 0.00 0.00 0.00 30.24 29.08 1xe4 n GLN 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1xe4 n GLY 51 N 1.10 0.43 3.82 1.08 0.00 -0.85 -5.01 105.19 105.76 1xe4 n GLY 51 Ca 0.17 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 1xe4 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xe4 s ALA 52 N -1.83 3.57 0.10 4.61 0.00 -1.26 -4.78 121.76 122.16 1xe4 s ALA 52 Ca 0.00 -0.02 -0.31 0.00 0.00 0.00 0.00 51.96 51.63 1xe4 s ALA 52 Cb 0.00 -2.61 -0.07 0.00 0.00 0.00 0.00 23.12 20.44 1xe4 s ALA 52 CO 0.00 0.41 1.30 0.42 0.00 0.00 0.00 175.76 177.89 1xe4 s ILE 53 N -1.30 3.60 -0.02 0.00 1.01 -1.26 -0.85 121.20 122.38 1xe4 s ILE 53 Ca 0.34 1.17 0.00 0.00 0.00 0.00 0.00 60.65 62.16 1xe4 s ILE 53 Cb -0.17 -3.75 -0.01 0.00 0.01 0.00 0.00 42.46 38.54 1xe4 s ILE 53 CO 0.19 0.10 0.02 2.30 0.00 0.00 0.00 174.94 177.55 1xe4 n ILE 54 N 3.79 0.00 -3.60 2.92 -5.35 -0.30 -4.90 119.36 111.92 1xe4 n ILE 54 Ca 0.10 -0.33 -0.15 0.00 -0.27 0.00 0.00 62.75 62.10 1xe4 n ILE 54 Cb 0.44 0.83 -0.07 0.00 -1.74 0.00 0.00 39.64 39.11 1xe4 n ILE 54 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1xe4 s ALA 55 N -1.37 -1.79 0.06 -1.28 0.00 -1.20 -4.83 121.76 111.36 1xe4 s ALA 55 Ca 0.00 1.81 -0.09 0.00 0.00 0.00 0.00 51.96 53.68 1xe4 s ALA 55 Cb 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 23.12 22.29 1xe4 s ALA 55 CO 0.02 -0.34 0.20 0.00 0.00 0.00 0.00 175.76 175.63 1xe4 s ALA 56 N -0.10 -0.30 -0.19 0.00 0.00 -1.06 -0.36 121.76 119.74 1xe4 s ALA 56 Ca -0.03 -0.44 -0.05 0.00 0.00 0.00 0.00 51.96 51.44 1xe4 s ALA 56 Cb -0.03 0.38 0.09 0.00 0.00 0.00 0.00 23.12 23.56 1xe4 s ALA 56 CO 0.03 -0.44 0.34 1.41 0.00 0.00 0.00 175.76 177.11 1xe4 s MET 57 N -3.21 0.26 -0.36 0.00 0.00 -0.38 -0.59 119.30 115.02 1xe4 s MET 57 Ca -0.00 0.75 -0.15 0.00 0.00 0.00 0.00 55.69 56.30 1xe4 s MET 57 Cb 0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 34.83 34.73 1xe4 s MET 57 CO -0.07 -0.39 0.32 -1.12 0.00 0.00 0.00 175.02 173.76 1xe4 s SER 58 N 2.51 6.14 0.16 1.11 0.01 -1.26 -1.62 113.70 120.75 1xe4 s SER 58 Ca 0.03 -0.40 0.06 0.00 1.31 0.00 0.00 55.95 56.95 1xe4 s SER 58 Cb -0.13 -2.18 -0.04 0.00 0.21 0.00 0.00 66.02 63.88 1xe4 s SER 58 CO -0.12 -0.34 0.07 -0.04 0.41 0.00 0.00 173.24 173.23 1xe4 s MET 59 N 1.90 2.69 -0.05 12.44 -1.94 -0.02 -4.38 119.30 129.93 1xe4 s MET 59 Ca 0.09 -0.96 0.02 0.00 -1.71 0.00 0.00 55.69 53.14 1xe4 s MET 59 Cb -0.17 -2.53 0.02 0.00 2.01 0.00 0.00 34.83 34.15 1xe4 s MET 59 CO 0.11 0.48 -0.08 -0.51 -0.01 0.00 0.00 175.02 175.01 1xe4 s LEU 60 N -2.98 1.54 -0.18 -0.03 1.43 -0.65 -1.51 118.68 116.30 1xe4 s LEU 60 Ca 0.29 -0.21 -0.08 0.00 -1.03 0.00 0.00 54.13 53.11 1xe4 s LEU 60 Cb -0.10 -0.62 -0.04 0.00 0.03 0.00 0.00 46.19 45.46 1xe4 s LEU 60 CO 0.21 0.00 0.07 -0.76 0.23 0.00 0.00 176.35 176.11 1xe4 s LEU 61 N 0.68 3.90 0.27 1.79 1.02 0.15 -1.21 118.68 125.28 1xe4 s LEU 61 Ca -0.12 0.13 0.11 0.00 0.02 0.00 0.00 54.13 54.27 1xe4 s LEU 61 Cb -0.14 -1.98 -0.05 0.00 0.02 0.00 0.00 46.19 44.04 1xe4 s LEU 61 CO 0.02 0.20 -0.18 -0.83 0.02 0.00 0.00 176.35 175.57 1xe4 s GLY 62 N 0.24 1.83 0.56 -3.19 0.00 -0.05 -1.68 107.32 105.03 1xe4 s GLY 62 Ca 0.05 -1.86 -0.13 0.00 0.00 0.00 0.00 44.72 42.78 1xe4 s GLY 62 CO 0.00 -1.94 0.98 0.99 0.00 0.00 0.00 173.10 173.13 1xe4 s ASP 63 N -3.48 6.41 0.33 1.64 1.01 -1.26 -0.82 116.67 120.49 1xe4 s ASP 63 Ca 0.29 1.43 0.07 0.00 0.71 0.00 0.00 52.55 55.05 1xe4 s ASP 63 Cb -0.04 -2.46 -0.03 0.00 1.01 0.00 0.00 42.92 41.41 1xe4 s ASP 63 CO 0.14 -0.71 0.26 0.35 0.21 0.00 0.00 175.17 175.42 1xe4 n THR 64 N -2.16 0.00 1.44 -1.27 -2.24 -1.26 -4.80 114.28 103.99 1xe4 n THR 64 Ca 0.06 -2.34 0.06 0.00 -2.27 0.00 0.00 64.05 59.55 1xe4 n THR 64 Cb 0.54 1.14 0.36 0.00 -2.10 0.00 0.00 70.33 70.27 1xe4 n THR 64 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1xe4 n PRO 65 N -0.64 0.72 -4.73 -0.78 -0.02 -1.26 -4.80 135.00 123.48 1xe4 n PRO 65 Ca 0.06 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.22 1xe4 n PRO 65 Cb 0.58 -1.27 -0.08 0.00 -0.02 0.00 0.00 33.50 32.72 1xe4 n PRO 65 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1xe4 s THR 66 N -2.00 1.03 -2.00 3.45 -4.23 -1.26 -5.02 115.64 105.61 1xe4 s THR 66 Ca 0.18 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 58.94 1xe4 s THR 66 Cb 0.08 -2.14 0.70 0.00 1.34 0.00 0.00 72.50 72.48 1xe4 s THR 66 CO 0.14 0.00 1.84 -0.90 -0.54 0.00 0.00 174.62 175.16 1xe4 n ASP 67 N -1.30 0.00 -4.73 3.99 3.85 -1.26 -4.79 116.55 112.31 1xe4 n ASP 67 Ca -0.18 -0.86 -0.28 0.00 -0.71 0.00 0.00 54.79 52.76 1xe4 n ASP 67 Cb 0.67 0.00 -0.07 0.00 -1.35 0.00 0.00 41.12 40.37 1xe4 n ASP 67 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 1xe4 s LYS 68 N -2.00 2.69 0.29 0.11 -0.14 -1.26 -5.00 119.74 114.42 1xe4 s LYS 68 Ca 0.37 -0.88 0.01 0.00 -1.36 0.00 0.00 55.97 54.10 1xe4 s LYS 68 Cb 0.17 -2.57 -0.04 0.00 -1.68 0.00 0.00 37.83 33.72 1xe4 s LYS 68 CO 0.28 0.51 0.47 0.15 -0.76 0.00 0.00 175.35 176.00 1xe4 s LYS 69 N -2.73 3.50 -0.33 1.68 -0.14 0.42 -4.05 119.74 118.07 1xe4 s LYS 69 Ca 0.28 -0.39 -0.10 0.00 -1.36 0.00 0.00 55.97 54.41 1xe4 s LYS 69 Cb -0.11 -2.75 0.00 0.00 -1.68 0.00 0.00 37.83 33.30 1xe4 s LYS 69 CO 0.21 0.27 0.18 0.12 -0.76 0.00 0.00 175.35 175.36 1xe4 s PHE 70 N -2.12 3.20 -0.24 3.18 5.36 -0.00 -1.17 117.98 126.20 1xe4 s PHE 70 Ca 0.39 -0.69 -0.15 0.00 -0.96 0.00 0.00 56.93 55.52 1xe4 s PHE 70 Cb -0.10 -2.39 -0.04 0.00 -0.34 0.00 0.00 43.02 40.15 1xe4 s PHE 70 CO 0.32 -0.52 0.37 0.00 -1.46 0.00 0.00 175.22 173.93 1xe4 s ALA 71 N 1.60 3.57 -0.05 11.12 0.00 -0.90 -0.87 121.76 136.23 1xe4 s ALA 71 Ca 0.04 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.32 1xe4 s ALA 71 Cb -0.18 -2.64 0.02 0.00 0.00 0.00 0.00 23.12 20.33 1xe4 s ALA 71 CO 0.07 -0.45 -0.04 -0.47 0.00 0.00 0.00 175.76 174.87 1xe4 s TYR 72 N 1.62 0.79 -0.72 0.00 5.04 -0.35 -0.82 117.35 122.91 1xe4 s TYR 72 Ca 0.16 -0.24 -0.02 0.00 -2.44 0.00 0.00 57.07 54.53 1xe4 s TYR 72 Cb -0.15 -0.74 0.18 0.00 0.35 0.00 0.00 41.96 41.60 1xe4 s TYR 72 CO 0.08 -0.24 0.56 0.00 -1.34 0.00 0.00 175.55 174.61 1xe4 s ALA 73 N 1.19 3.82 -0.14 3.97 0.00 0.34 -1.64 121.76 129.31 1xe4 s ALA 73 Ca -0.07 -3.49 -0.34 0.00 0.00 0.00 0.00 51.96 48.07 1xe4 s ALA 73 Cb -0.14 -2.72 -0.11 0.00 0.00 0.00 0.00 23.12 20.15 1xe4 s ALA 73 CO -0.02 -2.13 1.97 0.45 0.00 0.00 0.00 175.76 176.03 1xe4 n SER 74 N 3.04 3.27 -2.04 0.00 2.88 -1.26 -1.74 113.62 117.77 1xe4 n SER 74 Ca 0.13 0.80 -0.18 0.00 -1.33 0.00 0.00 58.87 58.30 1xe4 n SER 74 Cb 0.38 -1.38 -0.04 0.00 -0.75 0.00 0.00 64.21 62.42 1xe4 n SER 74 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1xe4 n LYS 75 N 7.14 -1.68 -3.12 -1.46 5.02 -1.24 -4.27 118.16 118.56 1xe4 n LYS 75 Ca 0.26 0.93 -0.18 0.00 -2.02 0.00 0.00 58.31 57.29 1xe4 n LYS 75 Cb 0.31 -5.44 0.00 0.00 -0.02 0.00 0.00 35.03 29.88 1xe4 n LYS 75 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xe4 n GLY 76 N -0.68 2.76 3.94 0.72 0.00 -0.71 -4.56 105.19 106.66 1xe4 n GLY 76 Ca -0.19 -2.26 -0.28 0.00 0.00 0.00 0.00 46.02 43.28 1xe4 n GLY 76 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xe4 s PRO 77 N -3.65 1.07 -0.56 1.61 0.04 -1.26 -3.07 135.00 129.18 1xe4 s PRO 77 Ca 0.24 -0.48 -0.19 0.00 0.04 0.00 0.00 61.00 60.60 1xe4 s PRO 77 Cb -0.02 -1.97 0.08 0.00 0.04 0.00 0.00 34.50 32.63 1xe4 s PRO 77 CO 0.15 -2.07 0.70 0.08 0.04 0.00 0.00 177.00 175.91 1xe4 s VAL 78 N -3.67 4.78 0.00 -0.36 1.01 0.24 -4.89 120.40 117.52 1xe4 s VAL 78 Ca 0.70 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.99 1xe4 s VAL 78 Cb -0.05 -4.43 0.00 0.00 0.00 0.00 0.00 36.38 31.90 1xe4 s VAL 78 CO 0.50 -1.03 0.00 1.15 0.00 0.00 0.00 175.10 175.73 1xe4 n MET 79 N 6.43 -3.17 -2.81 2.72 0.00 -1.26 -2.57 117.12 116.45 1xe4 n MET 79 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 57.70 57.20 1xe4 n MET 79 Cb 0.44 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.63 1xe4 n MET 79 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1xe4 s ASP 80 N 0.00 6.35 0.39 3.17 3.68 -1.26 -4.88 116.67 124.12 1xe4 s ASP 80 Ca 0.00 -1.32 0.27 0.00 2.13 0.00 0.00 52.55 53.63 1xe4 s ASP 80 Cb 0.00 -2.45 1.38 0.00 -1.45 0.00 0.00 42.92 40.41 1xe4 s ASP 80 CO 0.00 -1.37 1.83 -0.37 0.13 0.00 0.00 175.17 175.39 1xe4 h VAL 81 N 6.04 0.00 0.00 1.11 -1.51 -1.97 -0.95 116.25 118.97 1xe4 h VAL 81 Ca -0.09 -0.10 0.00 0.00 -1.23 0.00 0.00 66.70 65.29 1xe4 h VAL 81 Cb 1.05 0.77 0.00 0.00 -2.13 0.00 0.00 31.29 30.98 1xe4 h VAL 81 CO 1.20 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 177.89 1xe4 n THR 82 N -2.48 0.82 -2.30 7.19 -2.24 -1.26 -3.65 114.28 110.36 1xe4 n THR 82 Ca -0.01 0.18 -0.43 0.00 -2.27 0.00 0.00 64.05 61.53 1xe4 n THR 82 Cb 0.11 -1.08 0.00 0.00 -2.10 0.00 0.00 70.33 67.26 1xe4 n THR 82 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1xe4 n ASP 83 N -2.12 4.74 0.08 3.42 4.64 -0.36 -4.82 116.55 122.13 1xe4 n ASP 83 Ca 0.03 -2.99 0.15 0.00 -1.38 0.00 0.00 54.79 50.60 1xe4 n ASP 83 Cb 0.24 -1.58 0.65 0.00 -1.04 0.00 0.00 41.12 39.39 1xe4 n ASP 83 CO 0.00 0.00 0.00 0.58 -0.82 0.00 0.00 177.20 176.96 1xe4 h VAL 84 N 4.20 0.85 -0.54 5.18 2.07 -1.83 -1.53 116.25 124.65 1xe4 h VAL 84 Ca 0.44 -0.01 -0.11 0.00 0.82 0.00 0.00 66.70 67.84 1xe4 h VAL 84 Cb 0.70 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 1xe4 h VAL 84 CO 1.62 0.01 -0.09 0.44 0.02 0.00 0.00 177.57 179.57 1xe4 h ASP 85 N 0.04 1.01 -0.38 0.57 3.32 -1.93 -0.33 116.42 118.72 1xe4 h ASP 85 Ca 0.17 -0.34 -0.14 0.00 0.02 0.00 0.00 57.03 56.73 1xe4 h ASP 85 Cb 0.61 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1xe4 h ASP 85 CO -0.01 1.12 -0.28 0.25 -1.72 0.00 0.00 179.24 178.60 1xe4 h LEU 86 N 0.89 0.94 -0.08 1.55 5.85 -1.74 -2.78 115.31 119.94 1xe4 h LEU 86 Ca 0.14 -0.38 0.02 0.00 0.84 0.00 0.00 57.88 58.50 1xe4 h LEU 86 Cb 0.65 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1xe4 h LEU 86 CO 0.05 1.15 -0.02 0.25 -0.34 0.00 0.00 178.44 179.53 1xe4 h LEU 87 N 0.77 -0.07 -0.80 2.25 5.85 -1.04 -0.89 115.31 121.37 1xe4 h LEU 87 Ca 0.09 0.02 0.14 0.00 0.84 0.00 0.00 57.88 58.97 1xe4 h LEU 87 Cb 0.85 0.05 -0.09 0.00 0.37 0.00 0.00 40.66 41.83 1xe4 h LEU 87 CO 0.07 -0.03 0.38 0.44 -0.34 0.00 0.00 178.44 178.96 1xe4 h ASP 88 N -0.00 0.42 -0.41 1.25 3.32 -0.97 0.27 116.42 120.30 1xe4 h ASP 88 Ca 0.04 0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 1xe4 h ASP 88 Cb 0.06 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1xe4 h ASP 88 CO -0.08 0.18 0.18 0.03 -1.72 0.00 0.00 179.24 177.83 1xe4 h ARG 89 N 0.55 0.60 -0.37 3.56 3.08 -1.11 0.11 114.38 120.80 1xe4 h ARG 89 Ca 0.43 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 60.34 1xe4 h ARG 89 Cb 0.61 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1xe4 h ARG 89 CO -0.37 0.54 0.07 1.25 -1.07 0.00 0.00 179.97 180.40 1xe4 h LEU 90 N 0.52 0.58 -0.69 3.04 5.85 0.01 -2.60 115.31 122.02 1xe4 h LEU 90 Ca 0.14 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.62 1xe4 h LEU 90 Cb 0.16 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1xe4 h LEU 90 CO -0.01 0.68 0.46 0.58 -0.34 0.00 0.00 178.44 179.80 1xe4 h VAL 91 N 0.46 1.17 -0.71 1.05 2.07 -0.33 -0.84 116.25 119.12 1xe4 h VAL 91 Ca 0.11 -0.32 0.06 0.00 0.82 0.00 0.00 66.70 67.38 1xe4 h VAL 91 Cb 0.34 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.22 1xe4 h VAL 91 CO 0.00 0.17 0.47 0.44 0.02 0.00 0.00 177.57 178.67 1xe4 h ASP 92 N 0.93 0.64 -0.30 0.57 3.32 -0.55 0.45 116.42 121.49 1xe4 h ASP 92 Ca 0.25 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.23 1xe4 h ASP 92 Cb -0.11 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 1xe4 h ASP 92 CO -0.06 0.42 -0.11 -0.33 -1.72 0.00 0.00 179.24 177.44 1xe4 h GLU 93 N 0.73 0.61 -0.03 3.56 4.39 -0.87 -1.42 114.58 121.55 1xe4 h GLU 93 Ca 0.31 -0.25 0.02 0.00 0.34 0.00 0.00 59.36 59.77 1xe4 h GLU 93 Cb 0.26 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 1xe4 h GLU 93 CO -0.10 0.82 -0.06 0.00 -1.16 0.00 0.00 179.01 178.50 1xe4 h ALA 94 N 0.77 -0.04 -0.82 3.43 0.00 0.19 -1.47 119.26 121.32 1xe4 h ALA 94 Ca 0.07 0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.10 1xe4 h ALA 94 Cb 0.62 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.46 1xe4 h ALA 94 CO 0.04 -0.55 0.46 0.28 0.00 0.00 0.00 179.25 179.48 1xe4 h VAL 95 N -0.10 0.87 -0.42 0.00 2.07 -0.06 -0.45 116.25 118.16 1xe4 h VAL 95 Ca 0.04 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 1xe4 h VAL 95 Cb 0.15 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 29.96 1xe4 h VAL 95 CO -0.09 0.14 0.24 0.50 0.02 0.00 0.00 177.57 178.37 1xe4 h LYS 96 N 0.75 0.58 -0.39 1.57 3.64 -0.74 -2.80 116.57 119.17 1xe4 h LYS 96 Ca 0.41 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.68 1xe4 h LYS 96 Cb 0.41 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 1xe4 h LYS 96 CO -0.27 0.46 0.05 0.00 -2.27 0.00 0.00 179.45 177.42 1xe4 h ALA 97 N 1.09 1.35 0.00 5.00 0.00 -0.20 -2.45 119.26 124.05 1xe4 h ALA 97 Ca 0.15 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1xe4 h ALA 97 Cb 0.04 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1xe4 h ALA 97 CO -0.03 0.45 -0.15 -0.07 0.00 0.00 0.00 179.25 179.46 1xe4 h LEU 98 N 0.58 0.00 -1.19 0.00 3.38 -0.87 -3.47 115.31 113.74 1xe4 h LEU 98 Ca 0.13 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.58 1xe4 h LEU 98 Cb 0.30 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.93 1xe4 h LEU 98 CO 0.00 0.15 -0.81 -0.67 0.09 0.00 0.00 178.44 177.20 1xe4 n ASP 99 N -3.54 -3.36 0.00 -0.43 2.03 -0.93 -1.61 116.55 108.71 1xe4 n ASP 99 Ca -0.01 -0.92 0.00 0.00 0.52 0.00 0.00 54.79 54.37 1xe4 n ASP 99 Cb 0.29 -3.23 0.00 0.00 -0.72 0.00 0.00 41.12 37.46 1xe4 n ASP 99 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xe4 n GLY 100 N -1.58 0.49 0.21 0.27 0.00 -1.26 -4.88 105.19 98.43 1xe4 n GLY 100 Ca -0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 1xe4 n GLY 100 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1xe4 h ARG 101 N 1.32 0.00 -6.33 1.61 3.08 -1.70 -3.46 114.38 108.90 1xe4 h ARG 101 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.40 1xe4 h ARG 101 Cb 0.17 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.10 1xe4 h ARG 101 CO 0.00 0.14 -0.66 0.00 -1.07 0.00 0.00 179.97 178.37 1xe4 s ALA 102 N -3.25 3.28 -0.80 0.04 0.00 -1.26 -0.44 121.76 119.34 1xe4 s ALA 102 Ca 0.05 -1.10 0.25 0.00 0.00 0.00 0.00 51.96 51.15 1xe4 s ALA 102 Cb 0.07 -1.20 0.43 0.00 0.00 0.00 0.00 23.12 22.41 1xe4 s ALA 102 CO 0.67 0.70 1.36 2.48 0.00 0.00 0.00 175.76 180.97 1xe4 n TYR 103 N 0.65 0.29 -3.54 0.00 0.18 -0.31 -4.48 117.16 109.95 1xe4 n TYR 103 Ca -0.11 0.08 -0.12 0.00 1.88 0.00 0.00 57.90 59.63 1xe4 n TYR 103 Cb 0.52 -0.47 -0.05 0.00 -0.38 0.00 0.00 39.34 38.96 1xe4 n TYR 103 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1xe4 s VAL 104 N -3.09 0.00 -0.20 -3.48 0.11 -1.26 -1.50 120.40 110.97 1xe4 s VAL 104 Ca 0.08 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.15 1xe4 s VAL 104 Cb 0.15 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 34.04 1xe4 s VAL 104 CO 0.71 0.00 -0.17 -0.22 -3.33 0.00 0.00 175.10 172.09 1xe4 s LEU 105 N -1.44 2.51 -0.05 2.54 2.96 -0.86 -2.11 118.68 122.23 1xe4 s LEU 105 Ca -0.03 -0.88 0.04 0.00 -0.22 0.00 0.00 54.13 53.04 1xe4 s LEU 105 Cb -0.00 -1.47 -0.02 0.00 0.50 0.00 0.00 46.19 45.19 1xe4 s LEU 105 CO 0.01 -0.07 -0.17 -0.60 -1.32 0.00 0.00 176.35 174.21 1xe4 s ARG 106 N 1.25 2.49 -0.04 1.98 3.52 0.00 -0.64 118.95 127.52 1xe4 s ARG 106 Ca 0.01 -0.75 -0.02 0.00 -0.13 0.00 0.00 55.73 54.84 1xe4 s ARG 106 Cb -0.15 -2.33 0.02 0.00 -1.56 0.00 0.00 34.95 30.93 1xe4 s ARG 106 CO -0.10 0.58 0.09 -0.59 -0.81 0.00 0.00 175.30 174.46 1xe4 s PHE 107 N -0.61 -0.09 -0.62 5.12 -0.71 -0.80 -0.50 117.98 119.77 1xe4 s PHE 107 Ca 0.09 0.27 0.06 0.00 -1.04 0.00 0.00 56.93 56.31 1xe4 s PHE 107 Cb -0.11 -0.05 0.23 0.00 -1.21 0.00 0.00 43.02 41.88 1xe4 s PHE 107 CO 0.01 -0.08 0.64 -0.40 -1.34 0.00 0.00 175.22 174.04 1xe4 n ASP 108 N 3.56 2.98 -4.74 1.98 3.85 -1.25 -1.07 116.55 121.86 1xe4 n ASP 108 Ca -0.19 -3.25 -0.36 0.00 -0.71 0.00 0.00 54.79 50.28 1xe4 n ASP 108 Cb 0.56 -0.68 0.05 0.00 -1.35 0.00 0.00 41.12 39.70 1xe4 n ASP 108 CO 0.00 0.00 0.00 -2.16 -1.01 0.00 0.00 177.20 174.03 1xe4 s PRO 109 N -1.96 2.71 -1.44 0.11 0.04 -1.18 -3.61 135.00 129.68 1xe4 s PRO 109 Ca 0.35 1.85 -0.11 0.00 0.04 0.00 0.00 61.00 63.14 1xe4 s PRO 109 Cb 0.10 -1.89 0.05 0.00 0.04 0.00 0.00 34.50 32.80 1xe4 s PRO 109 CO -0.07 -1.41 2.35 0.39 0.04 0.00 0.00 177.00 178.30 1xe4 n GLU 110 N -1.91 3.52 -5.14 4.56 1.02 -1.26 -4.46 120.64 116.97 1xe4 n GLU 110 Ca 0.14 -2.85 -0.29 0.00 -0.02 0.00 0.00 57.16 54.14 1xe4 n GLU 110 Cb 0.49 -2.98 -0.16 0.00 -0.02 0.00 0.00 31.44 28.78 1xe4 n GLU 110 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1xe4 s VAL 111 N 1.59 1.82 0.41 2.62 1.01 -1.26 -5.03 120.40 121.57 1xe4 s VAL 111 Ca 0.52 -0.98 -0.25 0.00 0.00 0.00 0.00 61.98 61.27 1xe4 s VAL 111 Cb 0.15 -1.52 -0.10 0.00 0.00 0.00 0.00 36.38 34.91 1xe4 s VAL 111 CO -0.06 0.52 1.16 0.00 0.00 0.00 0.00 175.10 176.72 1xe4 n ALA 112 N 2.58 0.80 -1.78 5.51 0.00 -1.26 -0.01 120.51 126.35 1xe4 n ALA 112 Ca -0.16 0.26 -0.33 0.00 0.00 0.00 0.00 53.44 53.21 1xe4 n ALA 112 Cb 0.52 -2.19 -0.03 0.00 0.00 0.00 0.00 19.45 17.75 1xe4 n ALA 112 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1xe4 s TYR 113 N -1.22 3.16 -0.24 0.00 5.04 0.79 -4.20 117.35 120.68 1xe4 s TYR 113 Ca 0.62 1.55 -0.27 0.00 -2.44 0.00 0.00 57.07 56.52 1xe4 s TYR 113 Cb -0.54 -2.95 0.13 0.00 0.35 0.00 0.00 41.96 38.96 1xe4 s TYR 113 CO 0.58 -0.64 1.07 -1.54 -1.34 0.00 0.00 175.55 173.68 1xe4 s SER 114 N -2.44 -0.38 0.33 4.32 1.04 -1.26 -4.92 113.70 110.39 1xe4 s SER 114 Ca 0.63 0.63 0.01 0.00 0.48 0.00 0.00 55.95 57.70 1xe4 s SER 114 Cb -0.13 0.60 0.57 0.00 0.10 0.00 0.00 66.02 67.16 1xe4 s SER 114 CO 0.25 -0.20 1.98 0.44 0.98 0.00 0.00 173.24 176.69 1xe4 h ASP 115 N 3.52 0.79 0.09 7.02 3.32 -1.98 -1.03 116.42 128.14 1xe4 h ASP 115 Ca -0.24 -0.03 0.01 0.00 0.02 0.00 0.00 57.03 56.78 1xe4 h ASP 115 Cb 1.17 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.51 1xe4 h ASP 115 CO 0.18 0.59 -0.10 -0.08 -1.72 0.00 0.00 179.24 178.11 1xe4 h GLU 116 N 0.92 -0.22 -0.46 3.56 4.22 -1.99 -0.17 114.58 120.44 1xe4 h GLU 116 Ca 0.24 0.01 -0.09 0.00 0.08 0.00 0.00 59.36 59.61 1xe4 h GLU 116 Cb -0.07 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1xe4 h GLU 116 CO -0.05 -0.14 -0.04 0.35 -2.18 0.00 0.00 179.01 176.94 1xe4 h PHE 117 N -0.22 0.93 -0.75 0.92 -0.00 -1.88 -2.12 116.94 113.83 1xe4 h PHE 117 Ca 0.01 -0.18 0.01 0.00 -0.00 0.00 0.00 57.97 57.81 1xe4 h PHE 117 Cb 0.22 -0.24 -0.04 0.00 -0.00 0.00 0.00 35.95 35.90 1xe4 h PHE 117 CO -0.12 0.91 0.49 -0.97 -0.00 0.00 0.00 178.31 178.62 1xe4 h ASN 118 N 0.69 0.85 -0.47 0.41 -1.24 -1.03 -1.73 115.58 113.06 1xe4 h ASN 118 Ca 0.13 -0.02 -0.05 0.00 0.71 0.00 0.00 56.30 57.06 1xe4 h ASN 118 Cb 0.57 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 39.39 1xe4 h ASN 118 CO 0.03 0.62 0.08 0.74 -1.29 0.00 0.00 177.43 177.61 1xe4 h THR 119 N 1.01 1.25 -0.41 -3.57 2.02 -0.91 -2.05 112.91 110.24 1xe4 h THR 119 Ca 0.28 -0.90 -0.00 0.00 0.77 0.00 0.00 66.41 66.56 1xe4 h THR 119 Cb -0.11 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 1xe4 h THR 119 CO -0.06 0.32 0.24 0.74 0.37 0.00 0.00 175.52 177.13 1xe4 h THR 120 N 0.65 1.14 -0.56 3.16 2.02 -1.03 0.17 112.91 118.45 1xe4 h THR 120 Ca 0.14 -0.33 0.01 0.00 0.77 0.00 0.00 66.41 67.01 1xe4 h THR 120 Cb 0.38 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 1xe4 h THR 120 CO 0.01 0.14 0.36 -0.07 0.37 0.00 0.00 175.52 176.33 1xe4 h LEU 121 N 0.54 0.62 -0.95 2.58 3.38 -1.23 -0.01 115.31 120.25 1xe4 h LEU 121 Ca 0.15 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 1xe4 h LEU 121 Cb 0.01 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1xe4 h LEU 121 CO -0.03 0.44 -0.03 1.56 0.09 0.00 0.00 178.44 180.48 1xe4 h GLN 122 N 0.74 0.74 -0.01 1.13 4.20 -1.00 -1.65 115.11 119.25 1xe4 h GLN 122 Ca 0.21 -0.20 -0.05 0.00 0.06 0.00 0.00 58.65 58.67 1xe4 h GLN 122 Cb -0.06 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 1xe4 h GLN 122 CO -0.06 0.77 -0.23 -0.44 -0.67 0.00 0.00 178.83 178.20 1xe4 h ASP 123 N 0.69 0.02 -0.16 1.46 3.32 0.26 -1.88 116.42 120.13 1xe4 h ASP 123 Ca 0.13 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1xe4 h ASP 123 Cb 0.46 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1xe4 h ASP 123 CO 0.02 0.25 0.00 1.41 -1.72 0.00 0.00 179.24 179.20 1xe4 n HIS 124 N -4.26 0.22 -0.06 4.55 8.25 -0.11 -4.90 115.22 118.90 1xe4 n HIS 124 Ca -0.02 -0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 1xe4 n HIS 124 Cb 0.29 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.40 1xe4 n HIS 124 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xe4 n GLY 125 N 0.90 0.51 3.83 -1.41 0.00 -0.71 -5.07 105.19 103.25 1xe4 n GLY 125 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 1xe4 n GLY 125 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xe4 s TYR 126 N -2.22 3.39 -0.24 1.61 1.51 -0.76 -4.77 117.35 115.88 1xe4 s TYR 126 Ca 0.00 1.51 -0.07 0.00 -1.01 0.00 0.00 57.07 57.50 1xe4 s TYR 126 Cb 0.00 -2.80 -0.03 0.00 -0.11 0.00 0.00 41.96 39.03 1xe4 s TYR 126 CO 0.00 -0.24 0.05 0.08 -1.11 0.00 0.00 175.55 174.32 1xe4 s VAL 127 N -2.42 4.15 0.00 0.71 1.01 -0.10 -4.06 120.40 119.70 1xe4 s VAL 127 Ca 0.60 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.36 1xe4 s VAL 127 Cb -0.10 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 1xe4 s VAL 127 CO 0.23 0.37 0.04 0.42 0.00 0.00 0.00 175.10 176.16 1xe4 s THR 128 N 1.48 4.44 -0.28 3.92 -4.23 -1.26 0.54 115.64 120.24 1xe4 s THR 128 Ca 0.06 -0.53 0.01 0.00 -1.18 0.00 0.00 61.69 60.04 1xe4 s THR 128 Cb -0.15 -3.02 0.08 0.00 1.34 0.00 0.00 72.50 70.76 1xe4 s THR 128 CO 0.02 0.34 0.00 -0.13 -0.54 0.00 0.00 174.62 174.32 1xe4 s ARG 129 N -1.71 1.38 0.00 3.99 0.52 0.53 -4.96 118.95 118.70 1xe4 s ARG 129 Ca 0.22 -1.21 0.00 0.00 -0.52 0.00 0.00 55.73 54.22 1xe4 s ARG 129 Cb -0.12 -2.59 0.00 0.00 0.52 0.00 0.00 34.95 32.76 1xe4 s ARG 129 CO 0.13 -0.76 0.00 0.27 0.02 0.00 0.00 175.30 174.95 1xe4 n ASN 130 N 4.62 0.00 0.02 0.23 2.04 -1.26 -1.75 115.26 119.15 1xe4 n ASN 130 Ca -0.06 0.00 0.03 0.00 -0.44 0.00 0.00 54.58 54.11 1xe4 n ASN 130 Cb 0.43 0.00 0.12 0.00 -2.53 0.00 0.00 39.78 37.80 1xe4 n ASN 130 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1xe4 n ARG 131 N 0.00 0.02 0.00 -3.83 1.74 -1.26 -1.72 116.66 111.61 1xe4 n ARG 131 Ca 0.00 0.46 0.13 0.00 -0.77 0.00 0.00 57.85 57.67 1xe4 n ARG 131 Cb 0.00 -1.55 0.33 0.00 -1.02 0.00 0.00 32.46 30.22 1xe4 n ARG 131 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1xe4 n ASN 132 N -1.58 1.62 -4.63 0.55 6.94 -1.26 -4.97 115.26 111.92 1xe4 n ASN 132 Ca 0.01 -1.34 -0.26 0.00 -0.02 0.00 0.00 54.58 52.96 1xe4 n ASN 132 Cb 0.04 0.13 -0.10 0.00 -2.36 0.00 0.00 39.78 37.49 1xe4 n ASN 132 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1xe4 s VAL 133 N -2.26 2.24 0.21 3.53 -7.23 -0.70 -4.94 120.40 111.24 1xe4 s VAL 133 Ca 0.28 -1.97 -0.31 0.00 -1.81 0.00 0.00 61.98 58.17 1xe4 s VAL 133 Cb 0.20 -2.89 -0.11 0.00 0.56 0.00 0.00 36.38 34.14 1xe4 s VAL 133 CO 0.44 -0.08 1.64 0.00 -0.31 0.00 0.00 175.10 176.79 1xe4 s ALA 134 N -2.63 3.84 -1.10 1.32 0.00 -1.24 -4.89 121.76 117.07 1xe4 s ALA 134 Ca 0.36 1.50 0.03 0.00 0.00 0.00 0.00 51.96 53.84 1xe4 s ALA 134 Cb 0.05 -3.66 0.11 0.00 0.00 0.00 0.00 23.12 19.63 1xe4 s ALA 134 CO 0.19 -0.87 1.04 -0.25 0.00 0.00 0.00 175.76 175.87 1xe4 n ASP 135 N 3.65 0.00 -3.13 0.00 10.43 -1.26 -3.80 116.55 122.44 1xe4 n ASP 135 Ca 0.14 0.44 -0.09 0.00 2.57 0.00 0.00 54.79 57.85 1xe4 n ASP 135 Cb 0.37 -0.45 0.01 0.00 1.84 0.00 0.00 41.12 42.88 1xe4 n ASP 135 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1xe4 s ALA 136 N -2.90 -0.61 0.00 2.24 0.00 -1.26 -4.85 121.76 114.38 1xe4 s ALA 136 Ca 0.02 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.19 1xe4 s ALA 136 Cb 0.02 0.77 0.00 0.00 0.00 0.00 0.00 23.12 23.91 1xe4 s ALA 136 CO 0.05 -0.97 0.00 0.41 0.00 0.00 0.00 175.76 175.25 1xe4 n GLY 137 N -0.52 -0.25 0.00 0.00 0.00 -1.26 -3.20 105.19 99.97 1xe4 n GLY 137 Ca -0.06 -1.83 0.06 0.00 0.00 0.00 0.00 46.02 44.19 1xe4 n GLY 137 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1xe4 n MET 138 N -0.27 0.39 -0.01 1.61 0.00 -1.26 -0.90 117.12 116.68 1xe4 n MET 138 Ca 0.00 0.01 0.08 0.00 0.00 0.00 0.00 57.70 57.79 1xe4 n MET 138 Cb 0.00 -1.50 -0.12 0.00 0.00 0.00 0.00 33.22 31.60 1xe4 n MET 138 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 1xe4 n HIS 139 N -1.01 0.00 -0.03 3.17 -0.00 -1.26 -4.96 115.22 111.13 1xe4 n HIS 139 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.81 1xe4 n HIS 139 Cb 0.05 -0.25 0.00 0.00 -0.00 0.00 0.00 29.99 29.78 1xe4 n HIS 139 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1xe4 n ALA 140 N -1.84 0.00 -2.93 -1.41 0.00 -0.08 -4.54 120.51 109.71 1xe4 n ALA 140 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.15 1xe4 n ALA 140 Cb 0.37 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.79 1xe4 n ALA 140 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1xe4 s THR 141 N -0.32 5.34 0.12 0.00 -4.23 -1.26 -4.97 115.64 110.32 1xe4 s THR 141 Ca 0.00 -0.57 -0.20 0.00 -1.18 0.00 0.00 61.69 59.74 1xe4 s THR 141 Cb 0.00 -3.70 -0.07 0.00 1.34 0.00 0.00 72.50 70.06 1xe4 s THR 141 CO 0.00 -0.02 1.74 0.40 -0.54 0.00 0.00 174.62 176.21 1xe4 h ILE 142 N 1.78 0.96 -3.16 2.99 2.04 -1.95 -3.42 117.51 116.75 1xe4 h ILE 142 Ca -0.47 -0.04 -0.65 0.00 1.00 0.00 0.00 64.86 64.69 1xe4 h ILE 142 Cb 1.18 0.83 -0.10 0.00 -0.74 0.00 0.00 36.82 37.99 1xe4 h ILE 142 CO 0.71 0.02 -0.59 -1.10 0.00 0.00 0.00 178.15 177.19 1xe4 s GLN 143 N -6.18 2.99 0.21 2.37 -1.52 -1.26 -5.08 119.66 111.18 1xe4 s GLN 143 Ca -0.13 -0.55 -0.30 0.00 -1.95 0.00 0.00 55.36 52.43 1xe4 s GLN 143 Cb 0.08 -2.80 -0.09 0.00 -0.22 0.00 0.00 33.01 29.98 1xe4 s GLN 143 CO 0.68 0.63 1.38 -1.25 -0.25 0.00 0.00 175.29 176.48 1xe4 s PRO 144 N -1.85 4.33 0.20 2.91 0.04 -1.26 -4.91 135.00 134.45 1xe4 s PRO 144 Ca 0.24 2.17 0.10 0.00 0.04 0.00 0.00 61.00 63.54 1xe4 s PRO 144 Cb -0.12 -3.17 0.06 0.00 0.04 0.00 0.00 34.50 31.31 1xe4 s PRO 144 CO 0.15 -0.36 1.43 0.00 0.04 0.00 0.00 177.00 178.27 1xe4 h ARG 145 N 5.49 0.00 -5.37 4.56 3.08 -1.92 -3.43 114.38 116.78 1xe4 h ARG 145 Ca -0.45 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 58.99 1xe4 h ARG 145 Cb 1.21 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 31.14 1xe4 h ARG 145 CO 0.79 0.79 -0.10 -0.51 -1.07 0.00 0.00 179.97 179.88 1xe4 s LEU 146 N -7.02 4.09 -0.00 3.04 1.43 -1.26 -1.39 118.68 117.57 1xe4 s LEU 146 Ca 0.00 0.51 0.01 0.00 -1.03 0.00 0.00 54.13 53.62 1xe4 s LEU 146 Cb 0.11 -2.60 -0.00 0.00 0.03 0.00 0.00 46.19 43.73 1xe4 s LEU 146 CO 0.79 -0.20 -0.03 0.20 0.23 0.00 0.00 176.35 177.34 1xe4 s ASN 147 N 1.37 0.38 -0.67 2.29 -0.87 -0.02 -2.09 114.94 115.33 1xe4 s ASN 147 Ca 0.20 -0.06 -0.24 0.00 -1.57 0.00 0.00 52.86 51.19 1xe4 s ASN 147 Cb -0.15 -0.06 0.05 0.00 -0.02 0.00 0.00 41.25 41.07 1xe4 s ASN 147 CO 0.09 0.03 1.07 -0.04 -2.57 0.00 0.00 177.10 175.68 1xe4 s MET 148 N 0.01 3.17 -0.16 -0.60 -1.94 -0.58 -0.55 119.30 118.65 1xe4 s MET 148 Ca 0.00 -0.56 -0.02 0.00 -1.71 0.00 0.00 55.69 53.40 1xe4 s MET 148 Cb -0.02 -4.19 -0.02 0.00 2.01 0.00 0.00 34.83 32.61 1xe4 s MET 148 CO -0.00 -1.89 -0.09 0.08 -0.01 0.00 0.00 175.02 173.11 1xe4 s VAL 149 N 4.60 3.28 -0.24 -6.03 1.01 -1.26 -0.62 120.40 121.15 1xe4 s VAL 149 Ca 0.28 -0.56 -0.18 0.00 0.00 0.00 0.00 61.98 61.52 1xe4 s VAL 149 Cb -0.13 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 1xe4 s VAL 149 CO 0.13 0.49 0.50 -0.22 0.00 0.00 0.00 175.10 176.00 1xe4 s LEU 150 N 0.64 4.09 -0.79 3.92 2.96 0.89 -4.92 118.68 125.47 1xe4 s LEU 150 Ca -0.05 0.55 -0.16 0.00 -0.22 0.00 0.00 54.13 54.24 1xe4 s LEU 150 Cb -0.15 -2.65 0.17 0.00 0.50 0.00 0.00 46.19 44.06 1xe4 s LEU 150 CO 0.03 -0.23 0.84 -0.62 -1.32 0.00 0.00 176.35 175.04 1xe4 s ASP 151 N 1.40 6.57 0.61 3.68 -1.08 -1.26 -1.30 116.67 125.28 1xe4 s ASP 151 Ca 0.21 -2.20 0.38 0.00 -0.52 0.00 0.00 52.55 50.42 1xe4 s ASP 151 Cb -0.15 -2.28 1.97 0.00 -1.46 0.00 0.00 42.92 41.00 1xe4 s ASP 151 CO 0.09 -0.84 2.23 -0.07 0.52 0.00 0.00 175.17 177.10 1xe4 h LEU 152 N 9.03 0.00 0.00 -1.34 3.38 -1.48 -2.44 115.31 122.46 1xe4 h LEU 152 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1xe4 h LEU 152 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1xe4 h LEU 152 CO 0.94 0.02 0.00 0.35 0.09 0.00 0.00 178.44 179.84 1xe4 n THR 153 N -3.26 0.64 1.00 0.22 -2.24 -1.22 -1.08 114.28 108.34 1xe4 n THR 153 Ca -0.02 0.16 0.13 0.00 -2.27 0.00 0.00 64.05 62.05 1xe4 n THR 153 Cb 0.15 -0.96 0.45 0.00 -2.10 0.00 0.00 70.33 67.87 1xe4 n THR 153 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1xe4 n LYS 154 N -1.27 0.00 -3.23 -0.78 5.02 -0.92 -4.15 118.16 112.83 1xe4 n LYS 154 Ca 0.06 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.10 1xe4 n LYS 154 Cb 0.10 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.54 1xe4 n LYS 154 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1xe4 n PHE 155 N -1.50 1.94 0.08 2.13 3.01 -0.24 -4.94 117.46 117.93 1xe4 n PHE 155 Ca 0.06 -3.89 0.20 0.00 1.01 0.00 0.00 57.45 54.83 1xe4 n PHE 155 Cb 0.34 -0.46 0.74 0.00 -0.01 0.00 0.00 39.48 40.09 1xe4 n PHE 155 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1xe4 h PRO 156 N 3.72 0.00 0.00 -1.08 0.13 -1.72 -0.71 132.00 132.34 1xe4 h PRO 156 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1xe4 h PRO 156 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1xe4 h PRO 156 CO 0.67 0.00 -0.42 -0.25 -0.23 0.00 0.00 178.00 177.77 1xe4 n ASP 157 N -4.03 0.43 -4.65 1.44 9.92 -1.26 -4.94 116.55 113.46 1xe4 n ASP 157 Ca 0.07 -0.06 -0.52 0.00 -0.53 0.00 0.00 54.79 53.76 1xe4 n ASP 157 Cb 0.55 0.09 -0.06 0.00 -0.64 0.00 0.00 41.12 41.06 1xe4 n ASP 157 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xe4 n ALA 158 N -1.54 0.00 -0.07 2.24 0.00 -0.28 -4.87 120.51 115.99 1xe4 n ALA 158 Ca 0.06 0.43 -0.09 0.00 0.00 0.00 0.00 53.44 53.84 1xe4 n ALA 158 Cb 0.35 -2.24 -0.09 0.00 0.00 0.00 0.00 19.45 17.47 1xe4 n ALA 158 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1xe4 n LYS 159 N 4.12 1.19 -4.20 0.00 4.76 -1.26 -5.03 118.16 117.75 1xe4 n LYS 159 Ca 0.21 0.04 -0.12 0.00 -2.87 0.00 0.00 58.31 55.57 1xe4 n LYS 159 Cb 0.21 -1.32 -0.10 0.00 -1.84 0.00 0.00 35.03 31.98 1xe4 n LYS 159 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1xe4 s THR 160 N -2.31 0.77 0.26 -0.18 -4.23 -1.26 -4.87 115.64 103.82 1xe4 s THR 160 Ca -0.14 -1.97 -0.03 0.00 -1.18 0.00 0.00 61.69 58.38 1xe4 s THR 160 Cb 0.05 -1.79 0.26 0.00 1.34 0.00 0.00 72.50 72.36 1xe4 s THR 160 CO 0.44 -0.78 1.67 0.74 -0.54 0.00 0.00 174.62 176.15 1xe4 h THR 161 N 2.88 0.44 -0.75 3.99 2.02 -1.90 -0.57 112.91 119.02 1xe4 h THR 161 Ca -0.36 -0.08 0.18 0.00 0.77 0.00 0.00 66.41 66.91 1xe4 h THR 161 Cb 1.18 0.17 -0.04 0.00 -1.74 0.00 0.00 68.15 67.71 1xe4 h THR 161 CO 0.64 0.05 0.51 -0.07 0.37 0.00 0.00 175.52 177.02 1xe4 h LEU 162 N 0.25 0.25 -0.56 2.58 3.38 -1.96 -1.22 115.31 118.03 1xe4 h LEU 162 Ca 0.46 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.45 1xe4 h LEU 162 Cb 0.83 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1xe4 h LEU 162 CO -0.57 0.12 0.00 0.47 0.09 0.00 0.00 178.44 178.55 1xe4 n ASP 163 N -4.43 0.28 0.04 -0.43 8.00 -0.22 -1.98 116.55 117.79 1xe4 n ASP 163 Ca 0.15 0.61 0.12 0.00 0.71 0.00 0.00 54.79 56.37 1xe4 n ASP 163 Cb 0.64 -0.65 0.13 0.00 -0.02 0.00 0.00 41.12 41.23 1xe4 n ASP 163 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1xe4 n LEU 164 N -1.85 0.63 -4.46 0.64 4.77 -0.46 -4.92 117.00 111.35 1xe4 n LEU 164 Ca 0.00 0.09 -0.24 0.00 -0.03 0.00 0.00 56.01 55.84 1xe4 n LEU 164 Cb 0.07 -0.17 -0.10 0.00 -2.33 0.00 0.00 43.42 40.90 1xe4 n LEU 164 CO 0.08 0.02 -0.48 -0.31 -1.33 0.00 0.00 177.39 175.37 1xe4 s TYR 165 N -3.14 2.24 0.68 -1.77 1.51 -0.84 -5.10 117.35 110.92 1xe4 s TYR 165 Ca 0.06 -0.35 -0.12 0.00 -1.01 0.00 0.00 57.07 55.65 1xe4 s TYR 165 Cb 0.15 -0.97 0.00 0.00 -0.11 0.00 0.00 41.96 41.02 1xe4 s TYR 165 CO 0.74 0.69 1.07 -1.25 -1.11 0.00 0.00 175.55 175.69 1xe4 s PRO 166 N -3.52 2.92 0.30 -1.71 0.04 -1.26 -4.72 135.00 127.05 1xe4 s PRO 166 Ca 0.29 1.09 0.05 0.00 0.04 0.00 0.00 61.00 62.47 1xe4 s PRO 166 Cb -0.05 -1.98 0.78 0.00 0.04 0.00 0.00 34.50 33.29 1xe4 s PRO 166 CO 0.14 -1.12 1.68 0.77 0.04 0.00 0.00 177.00 178.51 1xe4 h SER 167 N -0.41 0.28 -0.63 6.66 0.02 -1.99 -0.65 113.55 116.84 1xe4 h SER 167 Ca -0.45 0.17 0.03 0.00 -0.84 0.00 0.00 61.79 60.70 1xe4 h SER 167 Cb 1.22 0.16 -0.04 0.00 0.14 0.00 0.00 62.40 63.88 1xe4 h SER 167 CO 0.56 -0.06 0.38 0.50 -1.14 0.00 0.00 176.83 177.07 1xe4 h LYS 168 N 0.35 0.72 -0.07 3.45 3.64 -2.00 -1.61 116.57 121.05 1xe4 h LYS 168 Ca 0.58 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.75 1xe4 h LYS 168 Cb 1.16 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 1xe4 h LYS 168 CO -0.57 0.48 -0.69 1.15 -2.27 0.00 0.00 179.45 177.55 1xe4 h THR 169 N 0.75 1.39 -0.90 1.00 2.02 -1.58 -2.80 112.91 112.79 1xe4 h THR 169 Ca 0.25 -2.11 0.06 0.00 0.77 0.00 0.00 66.41 65.38 1xe4 h THR 169 Cb 0.04 2.09 -0.06 0.00 -1.74 0.00 0.00 68.15 68.47 1xe4 h THR 169 CO -0.11 0.63 0.58 0.11 0.37 0.00 0.00 175.52 177.10 1xe4 h LYS 170 N 0.23 1.00 -0.36 6.66 1.57 -0.62 -1.60 116.57 123.45 1xe4 h LYS 170 Ca -0.02 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1xe4 h LYS 170 Cb 1.24 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 33.31 1xe4 h LYS 170 CO 0.11 0.66 0.20 0.77 -0.57 0.00 0.00 179.45 180.62 1xe4 h SER 171 N 1.03 0.45 -0.70 0.86 0.02 -1.05 -0.75 113.55 113.42 1xe4 h SER 171 Ca 0.38 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.22 1xe4 h SER 171 Cb 0.18 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 1xe4 h SER 171 CO -0.14 0.41 0.36 0.11 -1.14 0.00 0.00 176.83 176.43 1xe4 h LYS 172 N 0.45 1.00 0.00 3.45 1.57 -1.18 -2.12 116.57 119.74 1xe4 h LYS 172 Ca 0.13 -0.12 -0.19 0.00 -1.87 0.00 0.00 60.65 58.60 1xe4 h LYS 172 Cb 0.06 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1xe4 h LYS 172 CO -0.02 0.76 -0.85 0.82 -0.57 0.00 0.00 179.45 179.59 1xe4 h ILE 173 N 1.01 1.54 -0.09 1.86 2.04 -1.09 -3.24 117.51 119.54 1xe4 h ILE 173 Ca 0.25 -2.70 -0.14 0.00 1.00 0.00 0.00 64.86 63.26 1xe4 h ILE 173 Cb 0.07 2.49 -0.01 0.00 -0.74 0.00 0.00 36.82 38.63 1xe4 h ILE 173 CO -0.04 0.78 -0.58 0.11 0.00 0.00 0.00 178.15 178.42 1xe4 h LYS 174 N 0.06 0.27 -0.50 2.37 1.57 -0.86 -3.37 116.57 116.12 1xe4 h LYS 174 Ca -0.03 -0.18 0.07 0.00 -1.87 0.00 0.00 60.65 58.64 1xe4 h LYS 174 Cb 1.48 0.02 -0.09 0.00 0.08 0.00 0.00 32.23 33.72 1xe4 h LYS 174 CO 0.12 0.78 -0.50 -0.09 -0.57 0.00 0.00 179.45 179.19 1xe4 h ARG 175 N 0.21 -0.30 -0.79 3.15 2.43 -1.41 -0.79 114.38 116.87 1xe4 h ARG 175 Ca -0.00 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.25 1xe4 h ARG 175 Cb 1.08 0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 30.64 1xe4 h ARG 175 CO 0.09 -0.20 0.48 -1.00 -1.51 0.00 0.00 179.97 177.83 1xe4 h PRO 176 N -0.31 0.84 -0.50 0.20 0.13 -1.75 -0.92 132.00 129.69 1xe4 h PRO 176 Ca 0.12 -0.05 -0.08 0.00 -0.87 0.00 0.00 66.00 65.12 1xe4 h PRO 176 Cb 0.58 -0.19 -0.02 0.00 0.13 0.00 0.00 31.00 31.50 1xe4 h PRO 176 CO -0.64 0.56 0.01 0.74 -0.23 0.00 0.00 178.00 178.44 1xe4 h PHE 177 N 0.87 0.96 0.00 1.56 -1.00 -1.67 -0.94 116.94 116.72 1xe4 h PHE 177 Ca 0.35 -0.16 -0.01 0.00 2.81 0.00 0.00 57.97 60.96 1xe4 h PHE 177 Cb 0.18 -0.25 -0.00 0.00 3.61 0.00 0.00 35.95 39.49 1xe4 h PHE 177 CO -0.05 0.89 -0.04 -0.09 -1.61 0.00 0.00 178.31 177.41 1xe4 h ARG 178 N 0.75 0.00 -0.60 1.51 2.43 -0.65 -1.57 114.38 116.24 1xe4 h ARG 178 Ca 0.14 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1xe4 h ARG 178 Cb 0.50 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1xe4 h ARG 178 CO 0.02 0.04 0.00 -0.25 -1.51 0.00 0.00 179.97 178.28 1xe4 n ASP 179 N -3.87 3.26 0.00 -3.80 8.00 -0.39 -4.91 116.55 114.84 1xe4 n ASP 179 Ca -0.03 -2.29 0.00 0.00 0.71 0.00 0.00 54.79 53.18 1xe4 n ASP 179 Cb 0.13 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.77 1xe4 n ASP 179 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xe4 n GLY 180 N 0.83 0.47 3.76 0.44 0.00 -0.59 -5.04 105.19 105.06 1xe4 n GLY 180 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1xe4 n GLY 180 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xe4 s VAL 181 N -2.17 2.38 0.01 1.61 1.01 -0.46 -4.44 120.40 118.33 1xe4 s VAL 181 Ca 0.00 0.34 0.03 0.00 0.00 0.00 0.00 61.98 62.35 1xe4 s VAL 181 Cb 0.00 -3.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.15 1xe4 s VAL 181 CO 0.00 0.06 -0.09 -1.61 0.00 0.00 0.00 175.10 173.46 1xe4 s GLU 182 N -0.94 0.67 -0.09 2.72 2.02 0.14 -4.41 118.70 118.80 1xe4 s GLU 182 Ca 0.58 -0.45 0.03 0.00 0.02 0.00 0.00 54.97 55.15 1xe4 s GLU 182 Cb -0.44 -0.62 0.00 0.00 0.10 0.00 0.00 34.13 33.17 1xe4 s GLU 182 CO 0.50 0.16 -0.20 0.08 0.02 0.00 0.00 175.26 175.82 1xe4 s VAL 183 N -0.51 1.77 0.19 2.63 1.01 -1.26 -0.17 120.40 124.06 1xe4 s VAL 183 Ca 0.01 -0.85 0.11 0.00 0.00 0.00 0.00 61.98 61.25 1xe4 s VAL 183 Cb -0.05 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 1xe4 s VAL 183 CO 0.00 0.49 -0.23 -1.38 0.00 0.00 0.00 175.10 173.99 1xe4 s HIS 184 N 0.47 2.22 0.13 5.22 -3.43 -0.53 -4.94 115.29 114.43 1xe4 s HIS 184 Ca -0.17 -0.37 -0.07 0.00 -0.80 0.00 0.00 55.06 53.64 1xe4 s HIS 184 Cb -0.17 -1.10 -0.01 0.00 -1.43 0.00 0.00 32.58 29.87 1xe4 s HIS 184 CO 0.07 0.48 0.21 -1.54 -2.00 0.00 0.00 174.74 171.96 1xe4 s SER 185 N -2.68 0.12 0.00 7.38 1.04 -1.26 -0.45 113.70 117.86 1xe4 s SER 185 Ca 0.20 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.77 1xe4 s SER 185 Cb -0.08 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.42 1xe4 s SER 185 CO 0.09 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.11 1xe4 n GLY 186 N -0.14 -0.63 2.77 7.32 0.00 -0.68 -4.96 105.19 108.88 1xe4 n GLY 186 Ca -0.10 -0.96 -0.03 0.00 0.00 0.00 0.00 46.02 44.94 1xe4 n GLY 186 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xe4 n ASN 187 N 0.27 1.72 -4.95 1.61 4.05 -1.26 0.21 115.26 116.90 1xe4 n ASN 187 Ca 0.00 -2.23 -0.23 0.00 0.45 0.00 0.00 54.58 52.57 1xe4 n ASN 187 Cb 0.00 -0.48 0.03 0.00 1.23 0.00 0.00 39.78 40.56 1xe4 n ASN 187 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 1xe4 s SER 188 N -3.68 5.53 0.36 1.20 1.04 -1.26 -4.96 113.70 111.93 1xe4 s SER 188 Ca 0.28 0.30 0.05 0.00 0.48 0.00 0.00 55.95 57.06 1xe4 s SER 188 Cb 0.35 -1.34 0.69 0.00 0.10 0.00 0.00 66.02 65.82 1xe4 s SER 188 CO -0.02 -0.98 1.95 0.00 0.98 0.00 0.00 173.24 175.17 1xe4 h ALA 189 N 0.10 1.50 -0.56 5.32 0.00 -1.99 -1.49 119.26 122.15 1xe4 h ALA 189 Ca -0.45 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.32 1xe4 h ALA 189 Cb 1.27 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1xe4 h ALA 189 CO 0.57 0.38 0.25 1.15 0.00 0.00 0.00 179.25 181.60 1xe4 h THR 190 N 0.57 1.21 0.00 0.00 2.02 -2.00 -1.28 112.91 113.43 1xe4 h THR 190 Ca 0.14 -0.61 -0.09 0.00 0.77 0.00 0.00 66.41 66.61 1xe4 h THR 190 Cb 0.14 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 1xe4 h THR 190 CO -0.01 0.24 -0.45 -0.33 0.37 0.00 0.00 175.52 175.34 1xe4 h GLU 191 N 0.76 0.00 -0.33 6.66 5.08 -1.79 -2.31 114.58 122.65 1xe4 h GLU 191 Ca 0.19 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.39 1xe4 h GLU 191 Cb 0.15 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 1xe4 h GLU 191 CO -0.02 0.45 -0.43 1.25 -1.00 0.00 0.00 179.01 179.26 1xe4 h LEU 192 N 0.00 0.95 -0.52 1.33 5.85 -0.84 -1.02 115.31 121.06 1xe4 h LEU 192 Ca -0.00 -0.49 -0.02 0.00 0.84 0.00 0.00 57.88 58.20 1xe4 h LEU 192 Cb 0.99 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 1xe4 h LEU 192 CO 0.06 1.26 0.24 0.44 -0.34 0.00 0.00 178.44 180.09 1xe4 h ASP 193 N 0.67 0.70 -0.48 1.25 3.32 -1.12 0.35 116.42 121.11 1xe4 h ASP 193 Ca 0.04 -0.14 0.03 0.00 0.02 0.00 0.00 57.03 56.98 1xe4 h ASP 193 Cb 1.03 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 40.36 1xe4 h ASP 193 CO 0.10 0.65 0.26 -0.33 -1.72 0.00 0.00 179.24 178.20 1xe4 h GLU 194 N 0.70 0.50 0.16 3.56 5.08 -1.28 0.47 114.58 123.78 1xe4 h GLU 194 Ca 0.18 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1xe4 h GLU 194 Cb 0.14 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1xe4 h GLU 194 CO -0.02 0.33 -0.09 0.35 -1.00 0.00 0.00 179.01 178.58 1xe4 h PHE 195 N 0.52 -0.23 -0.99 4.33 3.57 -0.67 -2.90 116.94 120.57 1xe4 h PHE 195 Ca 0.20 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.79 1xe4 h PHE 195 Cb 0.07 0.08 -0.07 0.00 2.79 0.00 0.00 35.95 38.82 1xe4 h PHE 195 CO -0.09 -0.14 0.63 0.35 -2.23 0.00 0.00 178.31 176.84 1xe4 h PHE 196 N -0.24 1.15 -0.71 0.41 3.57 0.37 0.14 116.94 121.63 1xe4 h PHE 196 Ca -0.02 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1xe4 h PHE 196 Cb 0.19 -0.37 -0.03 0.00 2.79 0.00 0.00 35.95 38.52 1xe4 h PHE 196 CO -0.07 0.53 0.42 -0.22 -2.23 0.00 0.00 178.31 176.74 1xe4 h LYS 197 N 1.07 0.97 -0.02 1.11 3.64 -0.74 -1.06 116.57 121.54 1xe4 h LYS 197 Ca 0.46 -0.09 -0.17 0.00 -1.27 0.00 0.00 60.65 59.57 1xe4 h LYS 197 Cb 0.33 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1xe4 h LYS 197 CO -0.21 0.69 -0.78 1.79 -2.27 0.00 0.00 179.45 178.67 1xe4 h THR 198 N 0.97 1.48 0.07 1.00 1.35 -1.10 -2.69 112.91 113.99 1xe4 h THR 198 Ca 0.25 -2.44 -0.00 0.00 -0.55 0.00 0.00 66.41 63.67 1xe4 h THR 198 Cb -0.02 2.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 1xe4 h THR 198 CO -0.05 0.71 -0.03 0.22 -0.25 0.00 0.00 175.52 176.12 1xe4 h TYR 199 N 0.10 -0.09 -0.39 4.73 3.20 -0.43 -1.18 116.97 122.91 1xe4 h TYR 199 Ca -0.03 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.74 1xe4 h TYR 199 Cb 1.36 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.64 1xe4 h TYR 199 CO 0.02 0.18 -0.16 1.79 -1.64 0.00 0.00 178.16 178.35 1xe4 h THR 200 N -0.35 1.26 -0.06 1.81 1.35 -1.27 -1.69 112.91 113.96 1xe4 h THR 200 Ca -0.01 -1.22 -0.00 0.00 -0.55 0.00 0.00 66.41 64.63 1xe4 h THR 200 Cb 0.30 1.13 -0.00 0.00 -1.73 0.00 0.00 68.15 67.85 1xe4 h THR 200 CO 0.02 0.41 0.03 0.74 -0.25 0.00 0.00 175.52 176.47 1xe4 h THR 201 N 0.65 1.09 -0.53 6.82 2.02 -1.42 -0.19 112.91 121.36 1xe4 h THR 201 Ca 0.10 -0.27 -0.03 0.00 0.77 0.00 0.00 66.41 66.98 1xe4 h THR 201 Cb 0.64 1.17 -0.03 0.00 -1.74 0.00 0.00 68.15 68.19 1xe4 h THR 201 CO 0.04 0.08 0.22 -0.03 0.37 0.00 0.00 175.52 176.21 1xe4 h MET 202 N -0.01 0.75 -0.41 6.66 1.85 -1.12 -0.58 114.93 122.07 1xe4 h MET 202 Ca 0.02 -0.10 -0.08 0.00 -0.61 0.00 0.00 59.70 58.92 1xe4 h MET 202 Cb 0.10 -0.14 -0.01 0.00 0.43 0.00 0.00 31.60 31.98 1xe4 h MET 202 CO -0.00 0.61 -0.07 0.00 -0.40 0.00 0.00 176.91 177.05 1xe4 h ALA 203 N 1.50 0.56 -0.57 0.39 0.00 -0.95 -1.22 119.26 118.97 1xe4 h ALA 203 Ca 0.18 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1xe4 h ALA 203 Cb 0.13 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1xe4 h ALA 203 CO -0.02 0.41 0.10 1.49 0.00 0.00 0.00 179.25 181.23 1xe4 h GLU 204 N 0.59 0.94 -0.27 0.00 4.81 -0.66 -0.30 114.58 119.70 1xe4 h GLU 204 Ca 0.11 -0.25 -0.03 0.00 -0.13 0.00 0.00 59.36 59.06 1xe4 h GLU 204 Cb 0.58 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1xe4 h GLU 204 CO 0.03 0.89 0.05 -0.09 -0.73 0.00 0.00 179.01 179.17 1xe4 h ARG 205 N 0.84 0.39 -0.25 1.92 2.43 -0.94 -2.24 114.38 116.53 1xe4 h ARG 205 Ca 0.17 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1xe4 h ARG 205 Cb 0.40 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1xe4 h ARG 205 CO 0.01 0.37 0.00 0.72 -1.51 0.00 0.00 179.97 179.56 1xe4 n HIS 206 N -4.37 0.31 -3.51 2.20 8.25 -0.47 -4.96 115.22 112.67 1xe4 n HIS 206 Ca 0.01 -0.16 -0.25 0.00 -0.26 0.00 0.00 57.72 57.06 1xe4 n HIS 206 Cb 0.17 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.34 1xe4 n HIS 206 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xe4 n GLY 207 N 1.31 -0.53 3.46 -1.41 0.00 -0.24 -5.00 105.19 102.77 1xe4 n GLY 207 Ca 0.17 0.21 -0.23 0.00 0.00 0.00 0.00 46.02 46.18 1xe4 n GLY 207 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xe4 s ILE 208 N -3.26 1.92 0.71 -0.61 -4.36 -0.48 -5.04 121.20 110.07 1xe4 s ILE 208 Ca 0.53 -2.19 -0.09 0.00 -0.26 0.00 0.00 60.65 58.64 1xe4 s ILE 208 Cb -0.24 -2.46 0.04 0.00 1.25 0.00 0.00 42.46 41.04 1xe4 s ILE 208 CO 0.65 -0.30 1.06 -0.89 0.24 0.00 0.00 174.94 175.70 1xe4 s THR 209 N -2.83 2.93 0.07 8.37 2.01 -1.26 -4.39 115.64 120.53 1xe4 s THR 209 Ca 0.30 0.11 0.05 0.00 0.31 0.00 0.00 61.69 62.46 1xe4 s THR 209 Cb 0.02 -3.26 -0.03 0.00 0.01 0.00 0.00 72.50 69.24 1xe4 s THR 209 CO 0.13 -0.32 -0.13 -1.38 -0.69 0.00 0.00 174.62 172.23 1xe4 s HIS 210 N -3.31 1.14 0.45 4.92 -3.43 -1.26 -4.97 115.29 108.84 1xe4 s HIS 210 Ca 0.59 -0.46 -0.23 0.00 -0.80 0.00 0.00 55.06 54.16 1xe4 s HIS 210 Cb -0.11 -0.65 -0.08 0.00 -1.43 0.00 0.00 32.58 30.32 1xe4 s HIS 210 CO 0.48 0.04 1.13 1.03 -2.00 0.00 0.00 174.74 175.42 1xe4 s ARG 211 N -1.71 3.82 0.68 -0.38 0.52 -1.26 -4.99 118.95 115.63 1xe4 s ARG 211 Ca -0.03 1.68 -0.16 0.00 -0.52 0.00 0.00 55.73 56.70 1xe4 s ARG 211 Cb -0.10 -2.38 0.01 0.00 0.52 0.00 0.00 34.95 33.00 1xe4 s ARG 211 CO 0.02 -0.48 1.16 -1.25 0.02 0.00 0.00 175.30 174.78 1xe4 s PRO 212 N -2.74 2.57 0.48 3.54 0.04 -1.26 -4.91 135.00 132.72 1xe4 s PRO 212 Ca 0.63 1.61 0.15 0.00 0.04 0.00 0.00 61.00 63.43 1xe4 s PRO 212 Cb -0.26 -1.90 1.14 0.00 0.04 0.00 0.00 34.50 33.52 1xe4 s PRO 212 CO 0.31 -1.47 2.08 0.97 0.04 0.00 0.00 177.00 178.93 1xe4 h ILE 213 N 0.05 0.97 -0.24 0.56 2.10 -2.01 -1.48 117.51 117.46 1xe4 h ILE 213 Ca -0.48 -0.07 0.06 0.00 1.08 0.00 0.00 64.86 65.45 1xe4 h ILE 213 Cb 1.27 0.74 -0.01 0.00 -1.09 0.00 0.00 36.82 37.73 1xe4 h ILE 213 CO 0.52 0.04 0.17 -0.33 -1.08 0.00 0.00 178.15 177.47 1xe4 h GLU 214 N 0.21 0.06 -0.11 2.19 3.07 -1.99 -0.69 114.58 117.33 1xe4 h GLU 214 Ca 0.12 -0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.99 1xe4 h GLU 214 Cb 0.21 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 1xe4 h GLU 214 CO -0.02 0.04 0.01 -0.92 -1.40 0.00 0.00 179.01 176.72 1xe4 h TYR 215 N 0.06 0.02 0.00 4.33 3.20 -1.62 -1.00 116.97 121.95 1xe4 h TYR 215 Ca 0.11 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.90 1xe4 h TYR 215 Cb 0.37 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 1xe4 h TYR 215 CO -0.00 0.00 -0.42 0.74 -1.64 0.00 0.00 178.16 176.84 1xe4 h PHE 216 N 0.05 0.00 -0.42 -3.82 -1.00 -1.38 -2.63 116.94 107.75 1xe4 h PHE 216 Ca 0.05 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.68 1xe4 h PHE 216 Cb 0.05 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.60 1xe4 h PHE 216 CO -0.12 0.42 -0.34 1.96 -1.61 0.00 0.00 178.31 178.62 1xe4 h GLN 217 N 0.00 0.96 -0.42 1.51 4.20 -0.72 0.15 115.11 120.80 1xe4 h GLN 217 Ca -0.00 -0.48 -0.07 0.00 0.06 0.00 0.00 58.65 58.16 1xe4 h GLN 217 Cb 1.00 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.76 1xe4 h GLN 217 CO 0.05 1.14 -0.01 0.00 -0.67 0.00 0.00 178.83 179.34 1xe4 h ARG 218 N 0.80 0.68 -0.25 1.46 3.08 -1.08 0.51 114.38 119.58 1xe4 h ARG 218 Ca 0.08 -0.17 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 1xe4 h ARG 218 Cb 0.93 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 1xe4 h ARG 218 CO 0.09 0.71 0.05 1.98 -1.07 0.00 0.00 179.97 181.73 1xe4 h MET 219 N 0.64 0.41 -0.87 0.04 4.05 -1.08 -0.38 114.93 117.73 1xe4 h MET 219 Ca 0.13 -0.10 -0.01 0.00 -0.28 0.00 0.00 59.70 59.44 1xe4 h MET 219 Cb 0.42 -0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 31.13 1xe4 h MET 219 CO 0.02 0.52 0.51 1.96 0.23 0.00 0.00 176.91 180.15 1xe4 h GLN 220 N 0.23 1.19 -0.00 0.39 4.20 -0.13 -1.65 115.11 119.34 1xe4 h GLN 220 Ca 0.08 -0.12 -0.12 0.00 0.06 0.00 0.00 58.65 58.55 1xe4 h GLN 220 Cb 0.30 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 1xe4 h GLN 220 CO 0.00 0.85 -0.56 0.00 -0.67 0.00 0.00 178.83 178.45 1xe4 h ALA 221 N 1.35 1.06 0.12 3.87 0.00 -0.66 -3.29 119.26 121.71 1xe4 h ALA 221 Ca 0.31 -0.51 -0.27 0.00 0.00 0.00 0.00 54.91 54.44 1xe4 h ALA 221 Cb -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1xe4 h ALA 221 CO -0.06 0.71 -1.21 0.00 0.00 0.00 0.00 179.25 178.69 1xe4 h ALA 222 N 1.43 0.13 -3.73 0.00 0.00 -0.49 -3.46 119.26 113.14 1xe4 h ALA 222 Ca -0.01 -0.86 -0.68 0.00 0.00 0.00 0.00 54.91 53.36 1xe4 h ALA 222 Cb 1.00 0.01 -0.29 0.00 0.00 0.00 0.00 17.79 18.51 1xe4 h ALA 222 CO 0.07 0.95 -0.83 -0.06 0.00 0.00 0.00 179.25 179.38 1xe4 s PHE 223 N -2.73 2.60 0.92 0.00 0.40 -0.67 -4.91 117.98 113.58 1xe4 s PHE 223 Ca -0.04 -0.67 -0.12 0.00 -0.60 0.00 0.00 56.93 55.50 1xe4 s PHE 223 Cb 0.07 -1.68 0.14 0.00 0.51 0.00 0.00 43.02 42.06 1xe4 s PHE 223 CO 0.88 -0.18 1.10 0.16 0.70 0.00 0.00 175.22 177.88 1xe4 s ASP 224 N -0.04 3.38 0.17 1.36 1.47 -1.26 -4.59 116.67 117.16 1xe4 s ASP 224 Ca -0.06 1.24 0.11 0.00 1.18 0.00 0.00 52.55 55.02 1xe4 s ASP 224 Cb -0.15 -1.90 0.58 0.00 -0.34 0.00 0.00 42.92 41.12 1xe4 s ASP 224 CO 0.05 -2.67 1.30 0.00 0.68 0.00 0.00 175.17 174.53 1xe4 n ALA 225 N -3.87 0.95 0.69 2.11 0.00 -1.26 -0.61 120.51 118.51 1xe4 n ALA 225 Ca 0.06 0.10 0.11 0.00 0.00 0.00 0.00 53.44 53.72 1xe4 n ALA 225 Cb 0.57 -1.08 0.09 0.00 0.00 0.00 0.00 19.45 19.03 1xe4 n ALA 225 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1xe4 n ASP 226 N -1.87 0.63 -0.12 0.00 8.00 -1.26 -4.36 116.55 117.57 1xe4 n ASP 226 Ca -0.01 -0.22 -0.22 0.00 0.71 0.00 0.00 54.79 55.05 1xe4 n ASP 226 Cb 0.06 0.58 -0.09 0.00 -0.02 0.00 0.00 41.12 41.65 1xe4 n ASP 226 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1xe4 n THR 227 N -1.86 1.33 -4.73 -3.53 -1.04 0.22 -4.71 114.28 99.96 1xe4 n THR 227 Ca 0.03 -0.40 -0.33 0.00 -2.04 0.00 0.00 64.05 61.30 1xe4 n THR 227 Cb 0.41 -1.63 -0.13 0.00 -1.82 0.00 0.00 70.33 67.16 1xe4 n THR 227 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 1xe4 s MET 228 N -2.45 3.05 -0.10 -2.82 -2.45 -0.41 -0.11 119.30 114.00 1xe4 s MET 228 Ca -0.33 -0.64 -0.08 0.00 -1.25 0.00 0.00 55.69 53.39 1xe4 s MET 228 Cb 0.11 -2.59 0.03 0.00 1.25 0.00 0.00 34.83 33.63 1xe4 s MET 228 CO 0.47 0.42 0.27 0.50 1.05 0.00 0.00 175.02 177.73 1xe4 s ARG 229 N -0.18 0.28 -0.18 4.11 3.52 -0.61 -4.31 118.95 121.58 1xe4 s ARG 229 Ca 0.01 0.44 -0.06 0.00 -0.13 0.00 0.00 55.73 55.99 1xe4 s ARG 229 Cb -0.13 0.06 -0.03 0.00 -1.56 0.00 0.00 34.95 33.28 1xe4 s ARG 229 CO 0.03 -0.08 0.02 0.42 -0.81 0.00 0.00 175.30 174.88 1xe4 s ILE 230 N 0.56 4.30 -0.20 4.11 1.01 0.13 -1.35 121.20 129.76 1xe4 s ILE 230 Ca -0.03 -0.20 -0.07 0.00 0.00 0.00 0.00 60.65 60.35 1xe4 s ILE 230 Cb -0.05 -2.93 -0.03 0.00 0.01 0.00 0.00 42.46 39.45 1xe4 s ILE 230 CO -0.03 0.45 0.04 -0.36 0.00 0.00 0.00 174.94 175.04 1xe4 s PHE 231 N 0.62 3.13 -0.18 3.97 0.40 0.15 -1.69 117.98 124.38 1xe4 s PHE 231 Ca 0.01 -0.21 -0.00 0.00 -0.60 0.00 0.00 56.93 56.12 1xe4 s PHE 231 Cb -0.14 -2.12 0.01 0.00 0.51 0.00 0.00 43.02 41.28 1xe4 s PHE 231 CO 0.02 -0.10 -0.15 0.08 0.70 0.00 0.00 175.22 175.76 1xe4 s VAL 232 N 0.89 2.49 -0.19 -0.44 1.01 0.40 -1.34 120.40 123.23 1xe4 s VAL 232 Ca 0.03 -0.80 -0.09 0.00 0.00 0.00 0.00 61.98 61.12 1xe4 s VAL 232 Cb -0.14 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 34.12 1xe4 s VAL 232 CO 0.02 0.51 0.11 0.00 0.00 0.00 0.00 175.10 175.75 1xe4 s ALA 233 N 1.23 3.64 0.11 5.51 0.00 0.11 -1.46 121.76 130.91 1xe4 s ALA 233 Ca 0.03 -0.70 -0.03 0.00 0.00 0.00 0.00 51.96 51.26 1xe4 s ALA 233 Cb -0.14 -2.09 -0.03 0.00 0.00 0.00 0.00 23.12 20.86 1xe4 s ALA 233 CO -0.08 0.22 0.07 -1.21 0.00 0.00 0.00 175.76 174.76 1xe4 s GLU 234 N 0.19 0.86 -0.12 0.00 2.02 0.76 -1.07 118.70 121.35 1xe4 s GLU 234 Ca 0.08 -1.31 -0.04 0.00 0.02 0.00 0.00 54.97 53.72 1xe4 s GLU 234 Cb -0.11 0.26 0.05 0.00 0.10 0.00 0.00 34.13 34.43 1xe4 s GLU 234 CO -0.01 -0.24 0.10 0.50 0.02 0.00 0.00 175.26 175.63 1xe4 s ARG 235 N -3.99 0.03 -1.33 1.61 3.52 -0.74 0.24 118.95 118.29 1xe4 s ARG 235 Ca 0.17 0.17 -0.17 0.00 -0.13 0.00 0.00 55.73 55.77 1xe4 s ARG 235 Cb 0.07 -1.16 0.02 0.00 -1.56 0.00 0.00 34.95 32.32 1xe4 s ARG 235 CO -0.03 -0.52 0.47 0.39 -0.81 0.00 0.00 175.30 174.81 1xe4 n GLU 236 N 5.30 -1.13 -0.50 5.12 1.02 -1.26 -1.09 120.64 128.09 1xe4 n GLU 236 Ca -0.05 0.20 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 1xe4 n GLU 236 Cb 0.49 -3.42 0.00 0.00 -0.02 0.00 0.00 31.44 28.49 1xe4 n GLU 236 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xe4 n GLY 237 N -2.14 1.65 3.45 0.62 0.00 -1.26 -5.02 105.19 102.49 1xe4 n GLY 237 Ca -0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 1xe4 n GLY 237 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xe4 s LYS 238 N -0.13 3.29 0.14 1.61 -0.14 -0.25 -5.06 119.74 119.20 1xe4 s LYS 238 Ca 0.00 -0.76 -0.31 0.00 -1.36 0.00 0.00 55.97 53.53 1xe4 s LYS 238 Cb 0.00 -3.67 -0.10 0.00 -1.68 0.00 0.00 37.83 32.38 1xe4 s LYS 238 CO 0.00 -0.48 1.74 -1.17 -0.76 0.00 0.00 175.35 174.69 1xe4 s LEU 239 N 1.64 4.38 -0.04 3.17 2.96 -1.26 -1.79 118.68 127.73 1xe4 s LEU 239 Ca 0.05 2.71 -0.08 0.00 -0.22 0.00 0.00 54.13 56.59 1xe4 s LEU 239 Cb -0.18 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 42.91 1xe4 s LEU 239 CO 0.08 -0.95 -0.16 0.18 -1.32 0.00 0.00 176.35 174.17 1xe4 n LEU 240 N 5.11 1.39 -3.69 -0.68 4.77 -0.24 -4.79 117.00 118.88 1xe4 n LEU 240 Ca 0.17 0.21 -0.10 0.00 -0.03 0.00 0.00 56.01 56.26 1xe4 n LEU 240 Cb 0.38 -0.49 -0.04 0.00 -2.33 0.00 0.00 43.42 40.93 1xe4 n LEU 240 CO 0.64 -0.42 0.20 -0.94 -1.33 0.00 0.00 177.39 175.54 1xe4 s SER 241 N -5.98 -0.24 0.24 -1.43 1.04 -1.12 -1.19 113.70 105.01 1xe4 s SER 241 Ca -0.14 -0.41 -0.04 0.00 0.48 0.00 0.00 55.95 55.85 1xe4 s SER 241 Cb 0.03 0.52 -0.02 0.00 0.10 0.00 0.00 66.02 66.64 1xe4 s SER 241 CO 0.19 -0.94 0.28 0.42 0.98 0.00 0.00 173.24 174.18 1xe4 s THR 242 N -3.84 0.00 -0.07 2.02 -4.23 -0.13 0.07 115.64 109.46 1xe4 s THR 242 Ca 0.06 -1.79 -0.31 0.00 -1.18 0.00 0.00 61.69 58.48 1xe4 s THR 242 Cb 0.01 -2.44 0.07 0.00 1.34 0.00 0.00 72.50 71.48 1xe4 s THR 242 CO -0.08 0.00 0.70 -0.83 -0.54 0.00 0.00 174.62 173.88 1xe4 s GLY 243 N -3.15 -0.56 -0.14 3.99 0.00 -0.45 -2.32 107.32 104.69 1xe4 s GLY 243 Ca 0.34 1.42 0.01 0.00 0.00 0.00 0.00 44.72 46.49 1xe4 s GLY 243 CO 0.14 1.02 -0.18 -0.42 0.00 0.00 0.00 173.10 173.66 1xe4 s ILE 244 N -1.07 2.42 0.00 0.90 1.01 0.54 -0.67 121.20 124.33 1xe4 s ILE 244 Ca -0.10 -0.86 0.06 0.00 0.00 0.00 0.00 60.65 59.75 1xe4 s ILE 244 Cb -0.00 -1.99 -0.02 0.00 0.01 0.00 0.00 42.46 40.46 1xe4 s ILE 244 CO 0.09 0.53 -0.20 0.00 0.00 0.00 0.00 174.94 175.37 1xe4 s ALA 245 N 0.73 1.63 -0.12 9.38 0.00 -0.46 -0.81 121.76 132.11 1xe4 s ALA 245 Ca -0.08 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.00 1xe4 s ALA 245 Cb -0.16 -0.38 -0.00 0.00 0.00 0.00 0.00 23.12 22.58 1xe4 s ALA 245 CO 0.01 0.39 -0.19 -0.51 0.00 0.00 0.00 175.76 175.46 1xe4 s LEU 246 N -0.69 2.37 -0.29 0.00 2.01 -0.37 -1.57 118.68 120.15 1xe4 s LEU 246 Ca 0.07 -0.47 -0.11 0.00 0.01 0.00 0.00 54.13 53.63 1xe4 s LEU 246 Cb -0.08 -1.51 -0.04 0.00 0.01 0.00 0.00 46.19 44.57 1xe4 s LEU 246 CO 0.00 0.14 0.19 -0.75 1.01 0.00 0.00 176.35 176.93 1xe4 s LYS 247 N 0.49 3.86 -0.23 1.70 2.20 0.84 0.13 119.74 128.74 1xe4 s LYS 247 Ca -0.12 -0.38 -0.19 0.00 -0.36 0.00 0.00 55.97 54.91 1xe4 s LYS 247 Cb -0.17 -3.65 0.06 0.00 -1.51 0.00 0.00 37.83 32.57 1xe4 s LYS 247 CO 0.05 -0.22 0.59 -0.47 -0.36 0.00 0.00 175.35 174.95 1xe4 s TYR 248 N 1.74 -0.70 0.00 4.03 5.04 -0.38 -4.66 117.35 122.42 1xe4 s TYR 248 Ca 0.07 1.64 0.00 0.00 -2.44 0.00 0.00 57.07 56.34 1xe4 s TYR 248 Cb -0.16 0.27 0.00 0.00 0.35 0.00 0.00 41.96 42.42 1xe4 s TYR 248 CO 0.10 -0.34 0.00 0.41 -1.34 0.00 0.00 175.55 174.38 1xe4 n GLY 249 N 3.03 3.52 1.08 8.97 0.00 -1.26 -2.32 105.19 118.22 1xe4 n GLY 249 Ca -0.15 -0.12 0.06 0.00 0.00 0.00 0.00 46.02 45.81 1xe4 n GLY 249 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xe4 n ARG 250 N 14.00 2.70 -3.79 1.61 1.74 -1.26 -4.92 116.66 126.74 1xe4 n ARG 250 Ca 0.00 -1.74 -0.10 0.00 -0.77 0.00 0.00 57.85 55.24 1xe4 n ARG 250 Cb 0.00 -1.66 -0.05 0.00 -1.02 0.00 0.00 32.46 29.73 1xe4 n ARG 250 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1xe4 s LYS 251 N -1.74 1.23 -0.13 5.56 -2.85 -0.98 -0.82 119.74 120.01 1xe4 s LYS 251 Ca 0.31 -0.94 0.00 0.00 -1.00 0.00 0.00 55.97 54.35 1xe4 s LYS 251 Cb 0.20 0.46 -0.01 0.00 -2.06 0.00 0.00 37.83 36.42 1xe4 s LYS 251 CO 0.15 -0.49 -0.14 0.42 0.10 0.00 0.00 175.35 175.39 1xe4 s ILE 252 N -3.89 2.96 -0.19 3.79 1.01 -0.26 -1.25 121.20 123.37 1xe4 s ILE 252 Ca 0.10 -0.69 -0.02 0.00 0.00 0.00 0.00 60.65 60.04 1xe4 s ILE 252 Cb 0.01 -2.23 0.00 0.00 0.01 0.00 0.00 42.46 40.25 1xe4 s ILE 252 CO -0.04 0.53 -0.11 0.86 0.00 0.00 0.00 174.94 176.18 1xe4 s TRP 253 N 0.35 2.87 -0.83 3.97 -0.00 0.12 -0.83 118.94 124.60 1xe4 s TRP 253 Ca -0.12 -1.15 -0.25 0.00 -0.00 0.00 0.00 56.10 54.58 1xe4 s TRP 253 Cb -0.16 -2.01 0.02 0.00 -0.00 0.00 0.00 33.47 31.33 1xe4 s TRP 253 CO 0.06 -0.60 1.46 -0.47 -0.00 0.00 0.00 176.95 177.40 1xe4 s TYR 254 N 1.27 2.24 -0.12 5.86 5.04 -0.35 -1.23 117.35 130.06 1xe4 s TYR 254 Ca 0.03 -0.14 -0.03 0.00 -2.44 0.00 0.00 57.07 54.49 1xe4 s TYR 254 Cb -0.14 -4.54 -0.25 0.00 0.35 0.00 0.00 41.96 37.38 1xe4 s TYR 254 CO -0.05 -2.04 0.38 -1.33 -1.34 0.00 0.00 175.55 171.17 1xe4 n MET 255 N 9.16 0.73 -4.06 4.97 2.81 0.01 -4.51 117.12 126.23 1xe4 n MET 255 Ca 0.18 0.26 -0.10 0.00 -1.81 0.00 0.00 57.70 56.23 1xe4 n MET 255 Cb 0.50 -1.71 -0.11 0.00 -0.71 0.00 0.00 33.22 31.19 1xe4 n MET 255 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 1xe4 s TYR 256 N -2.56 0.53 0.14 2.03 1.51 -1.13 -4.98 117.35 112.89 1xe4 s TYR 256 Ca -0.20 -0.72 -0.06 0.00 -1.01 0.00 0.00 57.07 55.08 1xe4 s TYR 256 Cb 0.07 -0.35 -0.02 0.00 -0.11 0.00 0.00 41.96 41.55 1xe4 s TYR 256 CO 0.77 -0.20 0.18 0.00 -1.11 0.00 0.00 175.55 175.19 1xe4 s ALA 257 N -2.40 0.31 0.00 3.71 0.00 -1.26 -0.34 121.76 121.78 1xe4 s ALA 257 Ca -0.04 -1.09 -0.26 0.00 0.00 0.00 0.00 51.96 50.57 1xe4 s ALA 257 Cb -0.03 0.81 0.06 0.00 0.00 0.00 0.00 23.12 23.95 1xe4 s ALA 257 CO -0.03 -0.57 0.58 0.20 0.00 0.00 0.00 175.76 175.94 1xe4 s GLY 258 N -2.99 -0.48 -0.27 0.00 0.00 -0.98 -4.60 107.32 98.01 1xe4 s GLY 258 Ca 0.18 0.91 -0.24 0.00 0.00 0.00 0.00 44.72 45.57 1xe4 s GLY 258 CO -0.01 0.59 0.70 -1.35 0.00 0.00 0.00 173.10 173.03 1xe4 s SER 259 N -1.57 -0.75 0.88 1.64 1.04 -1.04 -0.95 113.70 112.94 1xe4 s SER 259 Ca -0.09 1.43 -0.12 0.00 0.48 0.00 0.00 55.95 57.65 1xe4 s SER 259 Cb -0.01 1.43 0.12 0.00 0.10 0.00 0.00 66.02 67.66 1xe4 s SER 259 CO 0.04 -0.24 1.11 -0.04 0.98 0.00 0.00 173.24 175.08 1xe4 s MET 260 N 0.50 1.40 0.69 4.02 -1.94 -0.34 -3.62 119.30 120.02 1xe4 s MET 260 Ca -0.01 0.54 -0.11 0.00 -1.71 0.00 0.00 55.69 54.40 1xe4 s MET 260 Cb -0.05 -1.85 0.00 0.00 2.01 0.00 0.00 34.83 34.95 1xe4 s MET 260 CO -0.01 -2.07 1.07 -0.51 -0.01 0.00 0.00 175.02 173.49 1xe4 s ASP 261 N -3.80 5.57 0.07 3.03 -0.00 -1.26 -4.87 116.67 115.41 1xe4 s ASP 261 Ca 0.63 1.28 0.00 0.00 -0.00 0.00 0.00 52.55 54.46 1xe4 s ASP 261 Cb -0.16 -2.16 0.00 0.00 -0.00 0.00 0.00 42.92 40.61 1xe4 s ASP 261 CO 0.55 -1.28 0.00 0.61 -0.00 0.00 0.00 175.17 175.05 1xe4 n GLY 262 N -2.73 -0.02 3.63 0.21 0.00 -1.26 -4.79 105.19 100.24 1xe4 n GLY 262 Ca 0.07 -1.02 -0.43 0.00 0.00 0.00 0.00 46.02 44.64 1xe4 n GLY 262 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xe4 s ASN 263 N -4.00 6.49 0.00 1.61 0.01 -1.26 -4.87 114.94 112.92 1xe4 s ASN 263 Ca 0.00 1.61 0.04 0.00 -0.71 0.00 0.00 52.86 53.81 1xe4 s ASN 263 Cb 0.00 -2.53 0.12 0.00 0.41 0.00 0.00 41.25 39.25 1xe4 s ASN 263 CO 0.00 -1.16 1.08 0.35 -1.51 0.00 0.00 177.10 175.86 1xe4 n THR 264 N 6.21 0.95 -3.73 1.60 -2.24 -1.26 -5.01 114.28 110.80 1xe4 n THR 264 Ca 0.18 -0.97 -0.27 0.00 -2.27 0.00 0.00 64.05 60.71 1xe4 n THR 264 Cb 0.45 0.53 -0.04 0.00 -2.10 0.00 0.00 70.33 69.18 1xe4 n THR 264 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1xe4 n TYR 265 N -0.06 -1.58 -2.34 4.78 4.02 -1.26 0.09 117.16 120.82 1xe4 n TYR 265 Ca 0.05 0.48 -0.20 0.00 -0.01 0.00 0.00 57.90 58.22 1xe4 n TYR 265 Cb 0.31 -2.05 -0.02 0.00 -0.02 0.00 0.00 39.34 37.57 1xe4 n TYR 265 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1xe4 n TYR 266 N -3.70 -0.97 -0.16 -0.72 4.02 -1.26 -4.30 117.16 110.07 1xe4 n TYR 266 Ca 0.05 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.06 1xe4 n TYR 266 Cb 0.49 -3.81 0.44 0.00 -0.02 0.00 0.00 39.34 36.44 1xe4 n TYR 266 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1xe4 h ALA 267 N 0.93 1.93 -0.11 -0.72 0.00 -0.74 -1.61 119.26 118.95 1xe4 h ALA 267 Ca -0.47 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.47 1xe4 h ALA 267 Cb 1.35 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1xe4 h ALA 267 CO 0.56 -0.10 0.08 -1.35 0.00 0.00 0.00 179.25 178.44 1xe4 h PRO 268 N 0.55 0.00 -0.16 0.00 0.11 -1.90 -0.52 132.00 130.08 1xe4 h PRO 268 Ca 0.34 -0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.31 1xe4 h PRO 268 Cb 0.59 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.69 1xe4 h PRO 268 CO -0.12 0.00 -0.52 1.88 -0.21 0.00 0.00 178.00 179.04 1xe4 h TYR 269 N 0.00 0.54 -0.39 0.65 0.99 -1.67 -2.34 116.97 114.75 1xe4 h TYR 269 Ca 0.05 -0.18 -0.11 0.00 2.00 0.00 0.00 58.73 60.49 1xe4 h TYR 269 Cb 0.20 -0.11 -0.01 0.00 1.00 0.00 0.00 36.73 37.82 1xe4 h TYR 269 CO -0.00 0.86 -0.18 0.00 -0.00 0.00 0.00 178.16 178.85 1xe4 h ALA 270 N 1.10 0.55 -0.09 3.88 0.00 -1.13 -1.27 119.26 122.30 1xe4 h ALA 270 Ca 0.01 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.57 1xe4 h ALA 270 Cb 1.03 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1xe4 h ALA 270 CO 0.09 0.49 0.02 0.28 0.00 0.00 0.00 179.25 180.13 1xe4 h VAL 271 N 0.62 0.97 -0.62 0.00 2.07 -1.23 -1.94 116.25 116.11 1xe4 h VAL 271 Ca 0.09 -0.02 0.05 0.00 0.82 0.00 0.00 66.70 67.63 1xe4 h VAL 271 Cb 0.73 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 1xe4 h VAL 271 CO 0.06 0.01 0.35 1.56 0.02 0.00 0.00 177.57 179.57 1xe4 h GLN 272 N 0.06 0.65 -0.99 1.57 1.08 -1.31 -1.00 115.11 115.18 1xe4 h GLN 272 Ca 0.04 -0.04 0.03 0.00 -1.45 0.00 0.00 58.65 57.23 1xe4 h GLN 272 Cb 0.03 -0.15 -0.06 0.00 -0.05 0.00 0.00 27.48 27.26 1xe4 h GLN 272 CO -0.05 0.43 0.65 1.03 -0.95 0.00 0.00 178.83 179.94 1xe4 h SER 273 N 0.67 1.09 0.64 1.46 0.87 -0.90 -0.24 113.55 117.14 1xe4 h SER 273 Ca 0.27 -0.01 -0.16 0.00 -1.23 0.00 0.00 61.79 60.65 1xe4 h SER 273 Cb 0.12 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 1xe4 h SER 273 CO -0.15 0.75 -0.75 -0.33 -0.53 0.00 0.00 176.83 175.82 1xe4 h GLU 274 N 1.27 0.09 -0.41 2.24 4.39 -0.68 -1.18 114.58 120.30 1xe4 h GLU 274 Ca 0.39 -0.08 -0.13 0.00 0.34 0.00 0.00 59.36 59.88 1xe4 h GLU 274 Cb -0.03 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1xe4 h GLU 274 CO -0.11 0.79 -0.25 0.52 -1.16 0.00 0.00 179.01 178.80 1xe4 h MET 275 N 0.06 0.88 -0.64 2.33 2.86 -0.65 -1.56 114.93 118.21 1xe4 h MET 275 Ca -0.02 -0.41 -0.08 0.00 -2.06 0.00 0.00 59.70 57.14 1xe4 h MET 275 Cb 1.32 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.94 1xe4 h MET 275 CO 0.10 1.06 0.09 0.82 1.06 0.00 0.00 176.91 180.04 1xe4 h ILE 276 N 0.70 1.26 -0.92 -1.22 2.04 -0.97 -2.18 117.51 116.21 1xe4 h ILE 276 Ca 0.08 -1.04 0.01 0.00 1.00 0.00 0.00 64.86 64.91 1xe4 h ILE 276 Cb 0.82 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 37.53 1xe4 h ILE 276 CO 0.07 0.39 0.60 -0.61 0.00 0.00 0.00 178.15 178.59 1xe4 h GLN 277 N 0.99 1.23 -0.77 2.37 5.75 -0.96 -0.99 115.11 122.73 1xe4 h GLN 277 Ca 0.19 -0.08 -0.00 0.00 -0.15 0.00 0.00 58.65 58.61 1xe4 h GLN 277 Cb 0.45 -0.27 -0.04 0.00 1.07 0.00 0.00 27.48 28.69 1xe4 h GLN 277 CO 0.01 0.83 0.46 2.35 -2.65 0.00 0.00 178.83 179.83 1xe4 h TRP 278 N 1.26 1.00 -0.30 3.99 7.01 -0.81 0.20 115.95 128.31 1xe4 h TRP 278 Ca 0.34 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.31 1xe4 h TRP 278 Cb -0.12 -0.33 -0.01 0.00 -2.10 0.00 0.00 29.16 26.60 1xe4 h TRP 278 CO -0.00 0.67 0.09 0.00 -2.79 0.00 0.00 178.44 176.40 1xe4 h ALA 279 N 1.46 0.39 0.09 2.65 0.00 -0.67 -2.02 119.26 121.15 1xe4 h ALA 279 Ca 0.28 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1xe4 h ALA 279 Cb -0.05 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1xe4 h ALA 279 CO -0.05 0.03 -0.04 -0.07 0.00 0.00 0.00 179.25 179.12 1xe4 h LEU 280 N 0.32 -0.10 -2.17 0.00 3.38 -0.45 -0.16 115.31 116.12 1xe4 h LEU 280 Ca 0.10 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 57.95 1xe4 h LEU 280 Cb 0.25 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1xe4 h LEU 280 CO -0.00 0.10 0.12 0.44 0.09 0.00 0.00 178.44 179.20 1xe4 h ASP 281 N -0.30 0.00 -0.58 -0.43 3.32 -0.59 -1.16 116.42 116.68 1xe4 h ASP 281 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1xe4 h ASP 281 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1xe4 h ASP 281 CO 0.02 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 177.89 1xe4 n THR 282 N -4.14 0.77 -3.06 0.35 -2.24 -0.77 -4.95 114.28 100.25 1xe4 n THR 282 Ca 0.00 -0.85 -0.22 0.00 -2.27 0.00 0.00 64.05 60.71 1xe4 n THR 282 Cb 0.25 0.61 0.02 0.00 -2.10 0.00 0.00 70.33 69.11 1xe4 n THR 282 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1xe4 n ASN 283 N 1.47 -5.27 -4.74 3.42 3.02 -0.44 -4.94 115.26 107.77 1xe4 n ASN 283 Ca 0.22 -0.28 -0.41 0.00 -0.03 0.00 0.00 54.58 54.08 1xe4 n ASN 283 Cb 0.58 -4.30 -0.05 0.00 -0.61 0.00 0.00 39.78 35.41 1xe4 n ASN 283 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1xe4 s THR 284 N -3.07 3.96 0.12 3.41 2.01 -0.12 -4.97 115.64 116.97 1xe4 s THR 284 Ca 0.30 1.78 -0.16 0.00 0.31 0.00 0.00 61.69 63.93 1xe4 s THR 284 Cb -0.14 -4.14 -0.03 0.00 0.01 0.00 0.00 72.50 68.20 1xe4 s THR 284 CO 0.37 0.35 1.60 0.44 -0.69 0.00 0.00 174.62 176.69 1xe4 h ASP 285 N 4.75 0.59 -4.46 3.53 3.32 -1.87 -3.44 116.42 118.84 1xe4 h ASP 285 Ca -0.45 -0.26 -0.41 0.00 0.02 0.00 0.00 57.03 55.93 1xe4 h ASP 285 Cb 1.21 -0.16 -0.22 0.00 0.22 0.00 0.00 39.33 40.38 1xe4 h ASP 285 CO 0.70 0.70 -0.78 -0.76 -1.72 0.00 0.00 179.24 177.38 1xe4 s LEU 286 N -9.56 2.26 -0.25 1.55 1.43 0.00 -1.28 118.68 112.82 1xe4 s LEU 286 Ca -0.13 -0.58 0.02 0.00 -1.03 0.00 0.00 54.13 52.41 1xe4 s LEU 286 Cb 0.10 -0.51 0.05 0.00 0.03 0.00 0.00 46.19 45.86 1xe4 s LEU 286 CO 0.77 -0.06 -0.11 -0.47 0.23 0.00 0.00 176.35 176.70 1xe4 s TYR 287 N -1.20 3.10 -0.36 0.29 5.04 -0.42 -1.10 117.35 122.70 1xe4 s TYR 287 Ca -0.02 -2.17 -0.16 0.00 -2.44 0.00 0.00 57.07 52.28 1xe4 s TYR 287 Cb -0.10 -1.89 -0.00 0.00 0.35 0.00 0.00 41.96 40.33 1xe4 s TYR 287 CO 0.02 -0.86 0.41 0.34 -1.34 0.00 0.00 175.55 174.12 1xe4 s ASP 288 N 1.16 6.21 0.00 4.32 3.68 -0.01 -0.08 116.67 131.95 1xe4 s ASP 288 Ca -0.07 -0.30 0.20 0.00 2.13 0.00 0.00 52.55 54.51 1xe4 s ASP 288 Cb -0.19 -2.22 0.74 0.00 -1.45 0.00 0.00 42.92 39.81 1xe4 s ASP 288 CO -0.06 -0.42 1.54 0.18 0.13 0.00 0.00 175.17 176.53 1xe4 n LEU 289 N 5.50 1.62 0.00 -1.34 4.32 0.21 -1.21 117.00 126.09 1xe4 n LEU 289 Ca -0.08 -0.68 0.00 0.00 -0.02 0.00 0.00 56.01 55.23 1xe4 n LEU 289 Cb 0.49 -0.11 0.00 0.00 -1.62 0.00 0.00 43.42 42.18 1xe4 n LEU 289 CO 0.43 0.34 0.00 0.61 -1.22 0.00 0.00 177.39 177.55 1xe4 n GLY 290 N 1.11 -0.44 3.76 -0.72 0.00 -1.25 -4.84 105.19 102.82 1xe4 n GLY 290 Ca 0.16 -1.82 -0.29 0.00 0.00 0.00 0.00 46.02 44.07 1xe4 n GLY 290 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xe4 s GLY 291 N -1.06 1.58 0.09 -0.02 0.00 -1.26 -1.53 107.32 105.12 1xe4 s GLY 291 Ca 0.00 -0.43 -0.02 0.00 0.00 0.00 0.00 44.72 44.27 1xe4 s GLY 291 CO 0.00 0.12 0.03 -0.26 0.00 0.00 0.00 173.10 172.99 1xe4 s ILE 292 N -3.18 0.16 -0.10 0.90 -4.36 -0.89 -4.84 121.20 108.89 1xe4 s ILE 292 Ca 0.64 -1.81 -0.03 0.00 -0.26 0.00 0.00 60.65 59.19 1xe4 s ILE 292 Cb -0.16 -1.75 -0.26 0.00 1.25 0.00 0.00 42.46 41.55 1xe4 s ILE 292 CO 0.54 -0.73 0.45 -0.33 0.24 0.00 0.00 174.94 175.12 1xe4 h GLU 293 N 2.99 0.22 -2.48 0.37 5.08 -1.96 -3.42 114.58 115.37 1xe4 h GLU 293 Ca -0.34 -0.37 -0.08 0.00 -1.00 0.00 0.00 59.36 57.56 1xe4 h GLU 293 Cb 1.17 0.14 -0.19 0.00 0.50 0.00 0.00 28.75 30.37 1xe4 h GLU 293 CO 0.62 1.08 0.00 0.45 -1.00 0.00 0.00 179.01 180.16 1xe4 s SER 294 N -6.86 -0.46 -1.34 1.42 0.15 -1.26 -5.04 113.70 100.31 1xe4 s SER 294 Ca -0.18 0.41 -0.12 0.00 0.70 0.00 0.00 55.95 56.76 1xe4 s SER 294 Cb 0.07 0.45 0.12 0.00 -1.71 0.00 0.00 66.02 64.95 1xe4 s SER 294 CO 0.79 -0.57 1.96 1.21 1.20 0.00 0.00 173.24 177.83 1xe4 n GLU 295 N 0.96 3.32 -3.73 5.44 2.13 -1.26 -4.63 120.64 122.87 1xe4 n GLU 295 Ca -0.20 -3.22 -0.13 0.00 0.66 0.00 0.00 57.16 54.27 1xe4 n GLU 295 Cb 0.57 -3.09 -0.08 0.00 0.27 0.00 0.00 31.44 29.12 1xe4 n GLU 295 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1xe4 s SER 296 N 1.96 -0.23 0.00 4.31 1.04 -1.26 -5.00 113.70 114.52 1xe4 s SER 296 Ca 0.43 0.06 0.05 0.00 0.48 0.00 0.00 55.95 56.98 1xe4 s SER 296 Cb 0.10 0.36 0.32 0.00 0.10 0.00 0.00 66.02 66.89 1xe4 s SER 296 CO -0.02 -0.53 0.79 0.35 0.98 0.00 0.00 173.24 174.81 1xe4 n THR 297 N 0.98 0.00 0.14 2.02 -2.24 -1.26 -0.31 114.28 113.61 1xe4 n THR 297 Ca -0.20 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.69 1xe4 n THR 297 Cb 0.57 -0.92 0.05 0.00 -2.10 0.00 0.00 70.33 67.94 1xe4 n THR 297 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1xe4 h ASP 298 N 0.00 0.00 -3.58 3.42 3.32 -1.94 -3.43 116.42 114.20 1xe4 h ASP 298 Ca 0.00 0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.41 1xe4 h ASP 298 Cb 0.00 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.41 1xe4 h ASP 298 CO 0.00 0.03 0.05 -0.62 -1.72 0.00 0.00 179.24 176.98 1xe4 s ASP 299 N -5.66 6.37 0.51 6.45 -1.08 0.57 -4.93 116.67 118.90 1xe4 s ASP 299 Ca 0.02 0.03 0.29 0.00 -0.52 0.00 0.00 52.55 52.37 1xe4 s ASP 299 Cb 0.08 -2.30 1.17 0.00 -1.46 0.00 0.00 42.92 40.41 1xe4 s ASP 299 CO 0.75 -0.55 1.92 0.77 0.52 0.00 0.00 175.17 178.58 1xe4 h SER 300 N 8.48 0.00 -0.08 -0.34 4.64 -1.84 0.14 113.55 124.55 1xe4 h SER 300 Ca -0.27 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.93 1xe4 h SER 300 Cb 1.12 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.21 1xe4 h SER 300 CO 0.81 0.09 -0.41 -0.07 -0.87 0.00 0.00 176.83 176.38 1xe4 h LEU 301 N 0.00 0.50 -0.44 5.97 3.38 -1.94 -1.82 115.31 120.95 1xe4 h LEU 301 Ca -0.00 -0.65 -0.01 0.00 0.09 0.00 0.00 57.88 57.31 1xe4 h LEU 301 Cb 0.61 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1xe4 h LEU 301 CO 0.01 1.07 0.24 0.22 0.09 0.00 0.00 178.44 180.07 1xe4 h TYR 302 N -0.04 0.61 -0.06 1.13 3.20 -1.71 -0.89 116.97 119.22 1xe4 h TYR 302 Ca -0.03 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.86 1xe4 h TYR 302 Cb 1.06 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 39.09 1xe4 h TYR 302 CO 0.12 0.47 -0.14 0.28 -1.64 0.00 0.00 178.16 177.26 1xe4 h VAL 303 N 0.58 0.64 0.15 1.81 2.07 -0.68 0.38 116.25 121.20 1xe4 h VAL 303 Ca 0.16 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.67 1xe4 h VAL 303 Cb 0.06 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1xe4 h VAL 303 CO -0.02 0.00 -0.07 0.15 0.02 0.00 0.00 177.57 177.64 1xe4 h PHE 304 N -0.20 -0.19 0.00 1.57 3.57 -1.21 -3.03 116.94 117.44 1xe4 h PHE 304 Ca 0.07 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 1xe4 h PHE 304 Cb 0.30 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.10 1xe4 h PHE 304 CO -0.23 0.01 -0.09 0.87 -2.23 0.00 0.00 178.31 176.64 1xe4 h LYS 305 N -0.35 0.00 0.00 1.11 1.57 -0.98 -2.26 116.57 115.66 1xe4 h LYS 305 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1xe4 h LYS 305 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1xe4 h LYS 305 CO 0.03 0.09 0.00 1.25 -0.57 0.00 0.00 179.45 180.25 1xe4 h HIS 306 N 0.00 0.00 -0.44 -1.35 2.76 -0.11 -1.51 115.15 114.50 1xe4 h HIS 306 Ca -0.00 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.10 1xe4 h HIS 306 Cb 0.36 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.30 1xe4 h HIS 306 CO 0.00 0.00 -0.01 0.28 -1.30 0.00 0.00 177.93 176.90 1xe4 h VAL 307 N 0.00 1.23 0.00 5.26 2.07 -1.43 -3.23 116.25 120.15 1xe4 h VAL 307 Ca 0.00 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.57 1xe4 h VAL 307 Cb 0.52 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1xe4 h VAL 307 CO 0.00 0.33 -1.64 0.49 0.02 0.00 0.00 177.57 176.77 1xe4 n PHE 308 N -4.23 0.08 -3.84 1.57 3.01 -0.91 -4.82 117.46 108.32 1xe4 n PHE 308 Ca 0.02 0.02 -0.30 0.00 1.01 0.00 0.00 57.45 58.21 1xe4 n PHE 308 Cb 0.29 -0.42 -0.16 0.00 -0.01 0.00 0.00 39.48 39.18 1xe4 n PHE 308 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1xe4 s VAL 309 N -3.37 1.21 -0.25 -4.37 1.01 -0.62 -4.91 120.40 109.10 1xe4 s VAL 309 Ca -0.03 -1.27 0.22 0.00 0.00 0.00 0.00 61.98 60.90 1xe4 s VAL 309 Cb 0.14 -1.70 0.04 0.00 0.00 0.00 0.00 36.38 34.86 1xe4 s VAL 309 CO 0.88 -0.36 1.11 0.11 0.00 0.00 0.00 175.10 176.85 1xe4 h LYS 310 N 8.02 0.00 -7.32 2.72 1.79 -1.88 -3.40 116.57 116.49 1xe4 h LYS 310 Ca -0.15 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 57.82 1xe4 h LYS 310 Cb 1.06 0.00 0.14 0.00 -1.58 0.00 0.00 32.23 31.84 1xe4 h LYS 310 CO 0.43 0.03 0.29 -0.51 -1.08 0.00 0.00 179.45 178.60 1xe4 s ASP 311 N -5.52 4.11 0.60 0.86 1.01 -1.26 -4.97 116.67 111.50 1xe4 s ASP 311 Ca 0.00 1.69 -0.19 0.00 0.71 0.00 0.00 52.55 54.76 1xe4 s ASP 311 Cb 0.09 -2.38 -0.03 0.00 1.01 0.00 0.00 42.92 41.61 1xe4 s ASP 311 CO 0.77 -2.27 1.27 0.00 0.21 0.00 0.00 175.17 175.16 1xe4 s ALA 312 N -2.92 2.54 0.47 5.23 0.00 -1.26 -4.94 121.76 120.88 1xe4 s ALA 312 Ca 0.62 1.16 -0.24 0.00 0.00 0.00 0.00 51.96 53.50 1xe4 s ALA 312 Cb -0.17 -3.52 -0.07 0.00 0.00 0.00 0.00 23.12 19.36 1xe4 s ALA 312 CO 0.56 -1.37 1.27 -2.14 0.00 0.00 0.00 175.76 174.08 1xe4 s PRO 313 N -3.25 3.64 0.30 0.00 0.02 -1.26 -4.84 135.00 129.61 1xe4 s PRO 313 Ca 0.78 2.04 -0.28 0.00 0.02 0.00 0.00 61.00 63.56 1xe4 s PRO 313 Cb -0.35 -2.48 -0.09 0.00 0.02 0.00 0.00 34.50 31.60 1xe4 s PRO 313 CO 0.39 -0.72 0.99 1.03 -0.33 0.00 0.00 177.00 178.36 1xe4 s ARG 314 N -2.61 4.63 -0.25 5.54 0.52 0.29 -4.80 118.95 122.27 1xe4 s ARG 314 Ca 0.64 1.52 0.03 0.00 -0.52 0.00 0.00 55.73 57.39 1xe4 s ARG 314 Cb -0.35 -3.02 0.05 0.00 0.52 0.00 0.00 34.95 32.15 1xe4 s ARG 314 CO 0.43 0.28 -0.12 -2.00 0.02 0.00 0.00 175.30 173.91 1xe4 s GLU 315 N -1.68 2.38 0.65 3.54 2.12 -1.26 -0.84 118.70 123.61 1xe4 s GLU 315 Ca 0.47 -1.25 -0.08 0.00 0.36 0.00 0.00 54.97 54.47 1xe4 s GLU 315 Cb -0.25 -2.84 0.02 0.00 0.26 0.00 0.00 34.13 31.33 1xe4 s GLU 315 CO 0.31 -0.50 0.99 0.71 -0.54 0.00 0.00 175.26 176.23 1xe4 s TYR 316 N 1.14 3.22 0.58 5.30 4.12 -0.49 -0.15 117.35 131.07 1xe4 s TYR 316 Ca -0.06 0.75 0.27 0.00 0.02 0.00 0.00 57.07 58.04 1xe4 s TYR 316 Cb -0.19 -2.93 1.69 0.00 -1.52 0.00 0.00 41.96 39.01 1xe4 s TYR 316 CO -0.06 -1.05 2.20 0.97 0.02 0.00 0.00 175.55 177.62 1xe4 h ILE 317 N -0.42 0.60 0.00 2.71 6.09 -0.60 -3.36 117.51 122.53 1xe4 h ILE 317 Ca -0.45 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.04 1xe4 h ILE 317 Cb 1.27 0.96 0.00 0.00 0.47 0.00 0.00 36.82 39.51 1xe4 h ILE 317 CO 0.62 0.00 0.00 0.61 -3.07 0.00 0.00 178.15 176.31 1xe4 n GLY 318 N -1.38 0.03 3.74 8.18 0.00 -1.26 -4.47 105.19 110.01 1xe4 n GLY 318 Ca -0.02 -1.68 -0.38 0.00 0.00 0.00 0.00 46.02 43.95 1xe4 n GLY 318 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xe4 s GLU 319 N 0.00 4.29 -0.28 1.61 2.02 -0.72 -4.30 118.70 121.31 1xe4 s GLU 319 Ca 0.00 0.43 -0.05 0.00 0.02 0.00 0.00 54.97 55.37 1xe4 s GLU 319 Cb 0.00 -3.41 0.01 0.00 0.10 0.00 0.00 34.13 30.84 1xe4 s GLU 319 CO 0.00 0.24 0.05 0.42 0.02 0.00 0.00 175.26 175.98 1xe4 s ILE 320 N 0.37 3.68 -0.16 -1.63 1.01 -0.23 -0.35 121.20 123.89 1xe4 s ILE 320 Ca 0.25 -0.80 -0.04 0.00 0.00 0.00 0.00 60.65 60.06 1xe4 s ILE 320 Cb -0.15 -2.90 -0.03 0.00 0.01 0.00 0.00 42.46 39.39 1xe4 s ILE 320 CO 0.10 0.10 -0.02 -1.81 0.00 0.00 0.00 174.94 173.31 1xe4 s ASP 321 N 1.45 4.87 -0.61 3.58 1.01 0.19 -1.90 116.67 125.25 1xe4 s ASP 321 Ca 0.02 -0.12 -0.16 0.00 0.71 0.00 0.00 52.55 53.00 1xe4 s ASP 321 Cb -0.17 -1.80 0.15 0.00 1.01 0.00 0.00 42.92 42.11 1xe4 s ASP 321 CO 0.01 0.15 0.57 -0.75 0.21 0.00 0.00 175.17 175.36 1xe4 s LYS 322 N 0.46 3.14 -0.04 8.23 2.47 0.19 -0.92 119.74 133.26 1xe4 s LYS 322 Ca -0.03 -1.88 -0.30 0.00 -1.56 0.00 0.00 55.97 52.20 1xe4 s LYS 322 Cb -0.14 -4.33 -0.06 0.00 -1.46 0.00 0.00 37.83 31.84 1xe4 s LYS 322 CO 0.03 -1.32 1.61 0.08 0.16 0.00 0.00 175.35 175.90 1xe4 s VAL 323 N 1.28 3.57 -0.19 4.02 1.01 -1.26 -2.03 120.40 126.80 1xe4 s VAL 323 Ca 0.07 0.76 -0.02 0.00 0.00 0.00 0.00 61.98 62.78 1xe4 s VAL 323 Cb -0.25 -3.49 -0.11 0.00 0.00 0.00 0.00 36.38 32.53 1xe4 s VAL 323 CO 0.00 -0.05 -0.19 0.18 0.00 0.00 0.00 175.10 175.04 1xe4 n LEU 324 N 6.79 2.49 -4.01 3.92 4.77 -0.61 -4.85 117.00 125.50 1xe4 n LEU 324 Ca 0.17 0.01 -0.31 0.00 -0.03 0.00 0.00 56.01 55.84 1xe4 n LEU 324 Cb 0.43 -0.62 -0.14 0.00 -2.33 0.00 0.00 43.42 40.76 1xe4 n LEU 324 CO 0.62 0.69 -0.26 -0.62 -1.33 0.00 0.00 177.39 176.48 1xe4 s ASP 325 N -6.07 4.72 0.19 -1.43 -1.08 -0.56 -4.99 116.67 107.44 1xe4 s ASP 325 Ca -0.25 -2.40 -0.14 0.00 -0.52 0.00 0.00 52.55 49.24 1xe4 s ASP 325 Cb 0.08 -1.66 0.19 0.00 -1.46 0.00 0.00 42.92 40.07 1xe4 s ASP 325 CO 0.40 -0.36 1.67 -0.65 0.52 0.00 0.00 175.17 176.75 1xe4 h PRO 326 N 7.34 0.07 0.22 4.34 0.11 -1.89 -0.99 132.00 141.21 1xe4 h PRO 326 Ca -0.06 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 1xe4 h PRO 326 Cb 0.99 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1xe4 h PRO 326 CO 0.59 0.05 -0.11 1.49 -0.21 0.00 0.00 178.00 179.81 1xe4 h GLU 327 N 0.07 -0.28 -0.84 1.05 4.81 -1.97 -1.96 114.58 115.46 1xe4 h GLU 327 Ca 0.26 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.47 1xe4 h GLU 327 Cb 0.40 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.80 1xe4 h GLU 327 CO -0.47 -0.14 0.39 0.28 -0.73 0.00 0.00 179.01 178.34 1xe4 h VAL 328 N -0.36 1.26 0.03 0.32 2.07 -1.92 -2.24 116.25 115.42 1xe4 h VAL 328 Ca -0.03 -0.74 0.02 0.00 0.82 0.00 0.00 66.70 66.77 1xe4 h VAL 328 Cb 0.27 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 1xe4 h VAL 328 CO 0.05 0.32 -0.13 0.22 0.02 0.00 0.00 177.57 178.05 1xe4 h TYR 329 N 1.20 -0.33 -0.10 1.57 3.20 -1.03 -0.33 116.97 121.15 1xe4 h TYR 329 Ca 0.29 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.16 1xe4 h TYR 329 Cb 0.13 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 1xe4 h TYR 329 CO 0.02 -0.20 0.06 0.00 -1.64 0.00 0.00 178.16 176.40 1xe4 h ALA 330 N 0.69 1.91 -0.06 1.82 0.00 -1.18 0.54 119.26 122.98 1xe4 h ALA 330 Ca 0.03 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1xe4 h ALA 330 Cb 0.28 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1xe4 h ALA 330 CO -0.10 0.08 -0.08 0.93 0.00 0.00 0.00 179.25 180.07 1xe4 h GLU 331 N 0.14 0.17 0.00 0.00 5.08 -0.72 -3.35 114.58 115.89 1xe4 h GLU 331 Ca 0.04 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1xe4 h GLU 331 Cb 0.00 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1xe4 h GLU 331 CO -0.01 0.64 -0.83 1.28 -1.00 0.00 0.00 179.01 179.09 1xe4 n LEU 332 N -4.69 0.63 -3.95 1.33 4.77 -0.21 -4.87 117.00 110.00 1xe4 n LEU 332 Ca -0.08 -0.01 -0.26 0.00 -0.03 0.00 0.00 56.01 55.63 1xe4 n LEU 332 Cb 0.32 -0.14 -0.17 0.00 -2.33 0.00 0.00 43.42 41.11 1xe4 n LEU 332 CO 0.36 0.06 -0.45 -0.69 -1.33 0.00 0.00 177.39 175.34 1xe4 s VAL 333 N -3.13 1.10 0.04 4.08 1.01 0.19 -5.07 120.40 118.61 1xe4 s VAL 333 Ca 0.06 -0.37 -0.07 0.00 0.00 0.00 0.00 61.98 61.60 1xe4 s VAL 333 Cb 0.15 -1.07 -0.00 0.00 0.00 0.00 0.00 36.38 35.45 1xe4 s VAL 333 CO 0.77 0.37 0.13 -0.54 0.00 0.00 0.00 175.10 175.83 1xe4 s LYS 334 N 1.36 0.62 0.00 2.72 1.02 -1.26 -4.39 119.74 119.81 1xe4 s LYS 334 Ca -0.01 -0.69 0.13 0.00 0.02 0.00 0.00 55.97 55.41 1xe4 s LYS 334 Cb -0.14 0.25 0.77 0.00 -0.52 0.00 0.00 37.83 38.19 1xe4 s LYS 334 CO -0.05 -0.17 1.20 -0.25 -0.92 0.00 0.00 175.35 175.16