#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xwd s HIS 19 N 0.00 -0.08 0.17 0.00 5.04 -1.26 -3.82 115.29 115.34 1xwd s HIS 19 Ca 0.00 -0.26 -0.04 0.00 -1.54 0.00 0.00 55.06 53.22 1xwd s HIS 19 Cb 0.00 0.14 -0.03 0.00 0.04 0.00 0.00 32.58 32.73 1xwd s HIS 19 CO 0.00 -0.63 0.17 -1.58 -2.34 0.00 0.00 174.74 170.35 1xwd s HIS 20 N -3.73 0.80 0.05 3.88 5.65 -0.56 -4.71 115.29 116.67 1xwd s HIS 20 Ca 0.03 -1.13 -0.23 0.00 0.25 0.00 0.00 55.06 53.98 1xwd s HIS 20 Cb 0.03 -0.35 -0.12 0.00 -1.18 0.00 0.00 32.58 30.96 1xwd s HIS 20 CO -0.11 -0.64 1.36 0.00 -0.65 0.00 0.00 174.74 174.70 1xwd h ARG 21 N 2.67 -0.67 0.00 2.88 3.08 -2.04 -3.33 114.38 116.97 1xwd h ARG 21 Ca -0.34 0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.74 1xwd h ARG 21 Cb 1.22 0.15 -0.00 0.00 0.08 0.00 0.00 29.97 31.42 1xwd h ARG 21 CO 0.53 -0.45 -0.96 -0.84 -1.07 0.00 0.00 179.97 177.18 1xwd h ILE 22 N -0.69 0.07 -3.97 2.04 3.07 -1.97 -3.46 117.51 112.59 1xwd h ILE 22 Ca -0.05 -1.13 -0.49 0.00 1.55 0.00 0.00 64.86 64.74 1xwd h ILE 22 Cb 0.58 1.61 -0.22 0.00 -0.27 0.00 0.00 36.82 38.52 1xwd h ILE 22 CO -0.00 0.04 -0.81 0.00 -1.05 0.00 0.00 178.15 176.33 1xwd s HIS 24 N -1.13 3.21 -1.09 0.00 3.76 -1.00 -1.50 115.29 117.54 1xwd s HIS 24 Ca 0.03 -0.21 -0.22 0.00 -0.15 0.00 0.00 55.06 54.51 1xwd s HIS 24 Cb -0.10 -2.63 0.05 0.00 1.11 0.00 0.00 32.58 31.02 1xwd s HIS 24 CO 0.03 -0.47 1.53 0.00 -0.85 0.00 0.00 174.74 174.98 1xwd n SER 26 N 8.80 0.00 -4.57 0.00 2.88 -1.15 -4.09 113.62 115.49 1xwd n SER 26 Ca 0.37 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.48 1xwd n SER 26 Cb 0.50 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.96 1xwd n SER 26 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1xwd s ASN 27 N -1.10 6.84 0.00 -3.46 0.01 -1.26 -4.01 114.94 111.97 1xwd s ASN 27 Ca 0.00 -2.44 0.00 0.00 -0.71 0.00 0.00 52.86 49.71 1xwd s ASN 27 Cb 0.00 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.09 1xwd s ASN 27 CO 0.00 -1.16 0.00 0.54 -1.51 0.00 0.00 177.10 174.97 1xwd n ARG 28 N 8.29 -0.81 -3.96 -0.60 5.12 -1.26 -4.95 116.66 118.49 1xwd n ARG 28 Ca 0.48 0.20 -0.31 0.00 -1.93 0.00 0.00 57.85 56.29 1xwd n ARG 28 Cb 0.46 -4.01 -0.15 0.00 -1.16 0.00 0.00 32.46 27.60 1xwd n ARG 28 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1xwd s VAL 29 N -1.67 1.84 -0.14 1.55 1.01 -1.26 -0.38 120.40 121.34 1xwd s VAL 29 Ca 0.00 -1.76 -0.09 0.00 0.00 0.00 0.00 61.98 60.13 1xwd s VAL 29 Cb 0.00 -2.21 -0.05 0.00 0.00 0.00 0.00 36.38 34.13 1xwd s VAL 29 CO 0.00 -0.36 0.18 -0.36 0.00 0.00 0.00 175.10 174.55 1xwd s PHE 30 N 1.18 3.54 -0.18 5.22 0.08 0.71 -2.92 117.98 125.61 1xwd s PHE 30 Ca 0.02 0.52 -0.00 0.00 0.12 0.00 0.00 56.93 57.59 1xwd s PHE 30 Cb -0.19 -2.08 0.05 0.00 -0.57 0.00 0.00 43.02 40.22 1xwd s PHE 30 CO -0.10 0.54 -0.05 -1.17 -0.10 0.00 0.00 175.22 174.34 1xwd s LEU 31 N -0.44 1.80 -0.49 -0.37 2.96 -1.07 0.38 118.68 121.45 1xwd s LEU 31 Ca 0.14 -0.78 -0.15 0.00 -0.22 0.00 0.00 54.13 53.12 1xwd s LEU 31 Cb -0.12 -0.97 0.10 0.00 0.50 0.00 0.00 46.19 45.70 1xwd s LEU 31 CO 0.03 -0.20 0.42 0.00 -1.32 0.00 0.00 176.35 175.28 1xwd s GLN 33 N 1.59 1.75 -0.90 0.00 0.74 -1.25 -0.95 119.66 120.64 1xwd s GLN 33 Ca 0.04 -1.12 -0.07 0.00 0.05 0.00 0.00 55.36 54.26 1xwd s GLN 33 Cb -0.26 -1.94 0.00 0.00 1.10 0.00 0.00 33.01 31.90 1xwd s GLN 33 CO 0.04 0.50 0.68 0.39 -0.55 0.00 0.00 175.29 176.35 1xwd n GLU 34 N 1.72 -1.32 -2.31 1.67 -0.58 -1.09 -4.83 120.64 113.90 1xwd n GLU 34 Ca -0.17 0.84 -0.29 0.00 -0.42 0.00 0.00 57.16 57.12 1xwd n GLU 34 Cb 0.52 -3.61 0.01 0.00 -0.57 0.00 0.00 31.44 27.79 1xwd n GLU 34 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1xwd s SER 35 N -3.13 6.16 -0.56 1.62 0.15 -1.24 -4.96 113.70 111.74 1xwd s SER 35 Ca 0.14 1.09 0.01 0.00 0.70 0.00 0.00 55.95 57.89 1xwd s SER 35 Cb -0.06 -2.27 0.44 0.00 -1.71 0.00 0.00 66.02 62.43 1xwd s SER 35 CO 0.86 -0.76 1.74 1.17 1.20 0.00 0.00 173.24 177.45 1xwd n LYS 36 N -2.50 3.01 -4.12 5.44 3.00 -1.26 -4.50 118.16 117.23 1xwd n LYS 36 Ca 0.03 -3.63 -0.15 0.00 -0.00 0.00 0.00 58.31 54.56 1xwd n LYS 36 Cb 0.55 -2.28 -0.12 0.00 0.00 0.00 0.00 35.03 33.18 1xwd n LYS 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1xwd s VAL 37 N -4.81 0.73 -0.11 3.15 -7.23 -1.26 -4.96 120.40 105.90 1xwd s VAL 37 Ca 0.59 -1.06 0.06 0.00 -1.81 0.00 0.00 61.98 59.76 1xwd s VAL 37 Cb 0.47 -0.74 -0.08 0.00 0.56 0.00 0.00 36.38 36.58 1xwd s VAL 37 CO -0.04 -0.27 0.18 0.35 -0.31 0.00 0.00 175.10 175.01 1xwd n THR 38 N 1.58 0.00 -4.15 5.32 -2.24 -1.26 -2.24 114.28 111.28 1xwd n THR 38 Ca -0.21 -0.22 -0.17 0.00 -2.27 0.00 0.00 64.05 61.18 1xwd n THR 38 Cb 0.55 0.60 -0.12 0.00 -2.10 0.00 0.00 70.33 69.25 1xwd n THR 38 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1xwd s GLU 39 N -2.10 0.72 0.12 -0.78 8.01 -1.26 -2.69 118.70 120.71 1xwd s GLU 39 Ca -0.01 -0.85 -0.31 0.00 0.01 0.00 0.00 54.97 53.81 1xwd s GLU 39 Cb 0.04 -0.65 -0.09 0.00 -4.31 0.00 0.00 34.13 29.12 1xwd s GLU 39 CO 0.25 0.14 1.59 0.42 0.01 0.00 0.00 175.26 177.67 1xwd s ILE 40 N -1.24 2.87 0.56 -1.63 1.01 -1.26 -4.94 121.20 116.56 1xwd s ILE 40 Ca -0.04 0.51 -0.20 0.00 0.00 0.00 0.00 60.65 60.92 1xwd s ILE 40 Cb -0.10 -3.33 -0.06 0.00 0.01 0.00 0.00 42.46 38.99 1xwd s ILE 40 CO 0.01 0.02 1.00 -2.65 0.00 0.00 0.00 174.94 173.33 1xwd n PRO 41 N 4.73 1.07 0.03 2.79 -0.02 -1.26 -4.93 135.00 137.41 1xwd n PRO 41 Ca 0.15 0.40 -0.10 0.00 -2.02 0.00 0.00 63.50 61.93 1xwd n PRO 41 Cb 0.40 -2.17 -0.13 0.00 -0.02 0.00 0.00 33.50 31.57 1xwd n PRO 41 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1xwd h SER 42 N 0.80 0.10 -0.15 2.55 4.64 -1.96 -3.37 113.55 116.16 1xwd h SER 42 Ca -0.48 -0.14 -0.09 0.00 -0.47 0.00 0.00 61.79 60.60 1xwd h SER 42 Cb 1.35 -0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 63.37 1xwd h SER 42 CO 0.53 1.12 0.12 -0.90 -0.87 0.00 0.00 176.83 176.83 1xwd n ASP 43 N -3.27 4.81 -4.73 4.97 5.75 -1.26 -4.87 116.55 117.95 1xwd n ASP 43 Ca -0.11 -2.49 -0.40 0.00 -0.01 0.00 0.00 54.79 51.79 1xwd n ASP 43 Cb 1.01 -0.92 -0.05 0.00 -1.03 0.00 0.00 41.12 40.13 1xwd n ASP 43 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1xwd s LEU 44 N -0.54 4.39 -0.07 -2.12 1.43 -1.26 -4.99 118.68 115.52 1xwd s LEU 44 Ca 0.09 1.35 -0.37 0.00 -1.03 0.00 0.00 54.13 54.17 1xwd s LEU 44 Cb 0.07 -3.18 -0.15 0.00 0.03 0.00 0.00 46.19 42.97 1xwd s LEU 44 CO 0.00 -0.04 1.60 -2.65 0.23 0.00 0.00 176.35 175.49 1xwd n PRO 45 N 3.22 1.42 0.00 1.29 -0.02 -1.26 -4.85 135.00 134.80 1xwd n PRO 45 Ca -0.02 0.52 0.04 0.00 -2.02 0.00 0.00 63.50 62.02 1xwd n PRO 45 Cb 0.51 -2.22 0.20 0.00 -0.02 0.00 0.00 33.50 31.97 1xwd n PRO 45 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1xwd n ARG 46 N 4.30 0.06 -2.35 -0.52 5.12 -1.26 -3.42 116.66 118.59 1xwd n ARG 46 Ca 0.22 0.29 -0.33 0.00 -1.93 0.00 0.00 57.85 56.10 1xwd n ARG 46 Cb 0.19 -1.50 0.01 0.00 -1.16 0.00 0.00 32.46 30.01 1xwd n ARG 46 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1xwd n ASN 47 N -1.40 5.93 -4.87 0.55 6.94 -1.26 -4.38 115.26 116.76 1xwd n ASN 47 Ca 0.03 -3.76 -0.36 0.00 -0.02 0.00 0.00 54.58 50.48 1xwd n ASN 47 Cb 0.09 -0.75 -0.06 0.00 -2.36 0.00 0.00 39.78 36.70 1xwd n ASN 47 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1xwd s ALA 48 N -3.80 3.79 -0.14 -2.53 0.00 -1.22 -4.83 121.76 113.04 1xwd s ALA 48 Ca 0.49 -0.46 0.18 0.00 0.00 0.00 0.00 51.96 52.17 1xwd s ALA 48 Cb 0.38 -2.17 -0.15 0.00 0.00 0.00 0.00 23.12 21.18 1xwd s ALA 48 CO -0.26 0.59 0.73 -0.89 0.00 0.00 0.00 175.76 175.93 1xwd n ILE 49 N 1.31 0.98 -3.69 0.00 5.41 0.48 -2.56 119.36 121.29 1xwd n ILE 49 Ca -0.12 -0.67 -0.10 0.00 1.00 0.00 0.00 62.75 62.86 1xwd n ILE 49 Cb 0.53 -0.56 -0.10 0.00 -0.71 0.00 0.00 39.64 38.79 1xwd n ILE 49 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1xwd s GLU 50 N -3.02 0.42 -0.16 0.38 2.12 -1.07 -0.56 118.70 116.82 1xwd s GLU 50 Ca -0.04 0.83 0.00 0.00 0.36 0.00 0.00 54.97 56.12 1xwd s GLU 50 Cb 0.09 -0.01 -0.00 0.00 0.26 0.00 0.00 34.13 34.47 1xwd s GLU 50 CO 0.82 -0.16 -0.15 -0.51 -0.54 0.00 0.00 175.26 174.72 1xwd s LEU 51 N 1.42 2.47 -0.16 2.70 1.43 -0.96 -0.21 118.68 125.38 1xwd s LEU 51 Ca -0.10 -0.48 -0.00 0.00 -1.03 0.00 0.00 54.13 52.53 1xwd s LEU 51 Cb -0.08 -1.56 -0.01 0.00 0.03 0.00 0.00 46.19 44.57 1xwd s LEU 51 CO -0.13 0.08 -0.14 -0.13 0.23 0.00 0.00 176.35 176.26 1xwd s ARG 52 N 0.84 3.27 -0.27 1.70 0.52 0.16 -1.25 118.95 123.93 1xwd s ARG 52 Ca -0.05 -0.72 -0.01 0.00 -0.52 0.00 0.00 55.73 54.44 1xwd s ARG 52 Cb -0.15 -2.67 0.04 0.00 0.52 0.00 0.00 34.95 32.69 1xwd s ARG 52 CO -0.01 0.04 -0.06 -0.06 0.02 0.00 0.00 175.30 175.24 1xwd s PHE 53 N 0.77 3.16 0.07 -0.53 0.40 0.51 -0.35 117.98 122.01 1xwd s PHE 53 Ca -0.05 -1.83 0.07 0.00 -0.60 0.00 0.00 56.93 54.52 1xwd s PHE 53 Cb -0.15 -2.04 -0.03 0.00 0.51 0.00 0.00 43.02 41.31 1xwd s PHE 53 CO 0.01 -0.79 -0.20 0.08 0.70 0.00 0.00 175.22 175.02 1xwd s VAL 54 N 1.25 1.61 -1.13 -0.44 1.01 -0.12 -0.52 120.40 122.07 1xwd s VAL 54 Ca -0.03 -1.31 -0.10 0.00 0.00 0.00 0.00 61.98 60.54 1xwd s VAL 54 Cb -0.18 -1.43 0.09 0.00 0.00 0.00 0.00 36.38 34.86 1xwd s VAL 54 CO -0.04 0.08 0.39 0.18 0.00 0.00 0.00 175.10 175.70 1xwd n LEU 55 N 1.56 -1.03 -4.92 3.92 4.77 -1.07 -2.66 117.00 117.57 1xwd n LEU 55 Ca -0.18 -0.37 -0.26 0.00 -0.03 0.00 0.00 56.01 55.17 1xwd n LEU 55 Cb 0.54 -1.76 0.04 0.00 -2.33 0.00 0.00 43.42 39.90 1xwd n LEU 55 CO 0.23 0.10 0.53 -0.89 -1.33 0.00 0.00 177.39 176.02 1xwd s THR 56 N -2.79 3.42 -1.16 -5.08 2.01 -1.26 -2.91 115.64 107.87 1xwd s THR 56 Ca 0.40 -0.09 0.18 0.00 0.31 0.00 0.00 61.69 62.48 1xwd s THR 56 Cb -0.22 -3.37 0.64 0.00 0.01 0.00 0.00 72.50 69.57 1xwd s THR 56 CO 0.49 -0.37 1.55 1.17 -0.69 0.00 0.00 174.62 176.77 1xwd n LYS 57 N -2.60 3.40 -1.69 4.92 3.00 -1.24 -4.09 118.16 119.86 1xwd n LYS 57 Ca 0.05 -2.74 -0.44 0.00 -0.00 0.00 0.00 58.31 55.17 1xwd n LYS 57 Cb 0.58 -1.76 -0.03 0.00 0.00 0.00 0.00 35.03 33.82 1xwd n LYS 57 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1xwd n LEU 58 N 1.00 3.48 -0.10 3.14 4.77 -0.95 -4.38 117.00 123.95 1xwd n LEU 58 Ca 0.23 1.09 -0.12 0.00 -0.03 0.00 0.00 56.01 57.19 1xwd n LEU 58 Cb 0.79 -1.49 -0.13 0.00 -2.33 0.00 0.00 43.42 40.26 1xwd n LEU 58 CO 0.20 -0.13 -1.15 0.54 -1.33 0.00 0.00 177.39 175.52 1xwd n ARG 59 N 3.30 0.88 -4.05 3.23 5.12 -1.10 -2.23 116.66 121.80 1xwd n ARG 59 Ca 0.15 0.04 -0.12 0.00 -1.93 0.00 0.00 57.85 55.99 1xwd n ARG 59 Cb 0.32 -1.46 -0.11 0.00 -1.16 0.00 0.00 32.46 30.04 1xwd n ARG 59 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1xwd s VAL 60 N -2.45 0.45 -0.43 1.55 1.01 -1.23 -0.42 120.40 118.89 1xwd s VAL 60 Ca -0.17 -1.00 -0.07 0.00 0.00 0.00 0.00 61.98 60.74 1xwd s VAL 60 Cb 0.06 -0.53 0.10 0.00 0.00 0.00 0.00 36.38 36.02 1xwd s VAL 60 CO 0.66 -0.38 0.27 -0.63 0.00 0.00 0.00 175.10 175.02 1xwd s ILE 61 N -1.32 3.93 1.14 2.22 1.01 -0.78 -4.52 121.20 122.88 1xwd s ILE 61 Ca -0.10 -1.72 -0.15 0.00 0.00 0.00 0.00 60.65 58.68 1xwd s ILE 61 Cb -0.10 -3.54 0.21 0.00 0.01 0.00 0.00 42.46 39.05 1xwd s ILE 61 CO 0.00 -0.64 0.66 0.00 0.00 0.00 0.00 174.94 174.96 1xwd n GLN 62 N 4.82 -2.03 -2.22 2.79 0.00 -1.26 -2.16 117.38 117.32 1xwd n GLN 62 Ca -0.07 -0.57 -0.41 0.00 0.00 0.00 0.00 57.00 55.95 1xwd n GLN 62 Cb 0.42 -2.01 -0.03 0.00 0.00 0.00 0.00 30.24 28.62 1xwd n GLN 62 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 1xwd s LYS 63 N -4.06 4.40 -1.56 2.61 2.20 -1.26 -2.81 119.74 119.27 1xwd s LYS 63 Ca 0.64 2.07 -0.01 0.00 -0.36 0.00 0.00 55.97 58.31 1xwd s LYS 63 Cb -0.21 -3.16 0.00 0.00 -1.51 0.00 0.00 37.83 32.95 1xwd s LYS 63 CO 0.65 -0.19 0.12 0.41 -0.36 0.00 0.00 175.35 175.98 1xwd n GLY 64 N 1.87 -0.40 0.07 5.54 0.00 -0.33 -4.90 105.19 107.04 1xwd n GLY 64 Ca 0.04 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 1xwd n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xwd h ALA 65 N 0.89 0.09 -0.96 4.61 0.00 -1.72 -1.87 119.26 120.30 1xwd h ALA 65 Ca -0.45 0.01 -0.62 0.00 0.00 0.00 0.00 54.91 53.85 1xwd h ALA 65 Cb 1.33 0.01 -0.28 0.00 0.00 0.00 0.00 17.79 18.84 1xwd h ALA 65 CO 0.52 -0.44 0.79 1.19 0.00 0.00 0.00 179.25 181.31 1xwd n PHE 66 N -5.08 3.08 -2.80 0.00 3.72 -1.24 -4.93 117.46 110.22 1xwd n PHE 66 Ca -0.05 -2.68 -0.42 0.00 -0.05 0.00 0.00 57.45 54.25 1xwd n PHE 66 Cb 0.05 -1.30 -0.03 0.00 -0.94 0.00 0.00 39.48 37.25 1xwd n PHE 66 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1xwd s SER 67 N -1.57 7.04 0.00 4.37 0.15 -0.71 -3.92 113.70 119.07 1xwd s SER 67 Ca 0.61 1.29 0.00 0.00 0.70 0.00 0.00 55.95 58.54 1xwd s SER 67 Cb 0.48 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 62.30 1xwd s SER 67 CO 0.02 -0.47 0.00 0.61 1.20 0.00 0.00 173.24 174.60 1xwd n GLY 68 N 3.37 1.10 3.18 9.45 0.00 -1.26 -5.06 105.19 115.97 1xwd n GLY 68 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1xwd n GLY 68 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xwd s PHE 69 N -2.00 3.62 -2.04 1.61 0.08 -1.25 -4.86 117.98 113.14 1xwd s PHE 69 Ca 0.00 -2.55 0.11 0.00 0.12 0.00 0.00 56.93 54.61 1xwd s PHE 69 Cb 0.00 -3.42 0.51 0.00 -0.57 0.00 0.00 43.02 39.53 1xwd s PHE 69 CO 0.00 -0.87 1.35 0.41 -0.10 0.00 0.00 175.22 176.00 1xwd n GLY 70 N 3.40 -0.49 0.00 4.36 0.00 -1.26 -3.34 105.19 107.85 1xwd n GLY 70 Ca 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1xwd n GLY 70 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xwd n ASP 71 N -0.27 0.91 -4.72 1.61 9.92 -1.26 -4.51 116.55 118.23 1xwd n ASP 71 Ca 0.09 -1.02 -0.42 0.00 -0.53 0.00 0.00 54.79 52.91 1xwd n ASP 71 Cb 0.13 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.57 1xwd n ASP 71 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1xwd s LEU 72 N -0.02 4.39 -0.06 0.64 2.96 -1.06 -4.11 118.68 121.41 1xwd s LEU 72 Ca 0.00 2.07 0.01 0.00 -0.22 0.00 0.00 54.13 56.00 1xwd s LEU 72 Cb 0.00 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 43.06 1xwd s LEU 72 CO 0.00 -0.44 -0.04 -0.62 -1.32 0.00 0.00 176.35 173.93 1xwd n GLU 73 N 3.57 0.88 -4.12 1.98 1.02 0.28 -1.41 120.64 122.84 1xwd n GLU 73 Ca 0.08 0.03 -0.15 0.00 -0.02 0.00 0.00 57.16 57.10 1xwd n GLU 73 Cb 0.46 -1.13 -0.13 0.00 -0.02 0.00 0.00 31.44 30.62 1xwd n GLU 73 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1xwd s LYS 74 N -2.13 0.44 -0.21 3.49 1.02 -1.04 -0.13 119.74 121.18 1xwd s LYS 74 Ca -0.07 -0.35 0.00 0.00 0.02 0.00 0.00 55.97 55.58 1xwd s LYS 74 Cb 0.02 -0.35 0.05 0.00 -0.52 0.00 0.00 37.83 37.03 1xwd s LYS 74 CO 0.16 0.09 -0.06 0.42 -0.92 0.00 0.00 175.35 175.04 1xwd s ILE 75 N -0.49 1.45 -0.28 2.17 1.01 -0.79 -2.26 121.20 122.02 1xwd s ILE 75 Ca -0.02 -1.04 -0.10 0.00 0.00 0.00 0.00 60.65 59.49 1xwd s ILE 75 Cb -0.04 -1.66 -0.04 0.00 0.01 0.00 0.00 42.46 40.73 1xwd s ILE 75 CO -0.00 0.01 0.15 -0.70 0.00 0.00 0.00 174.94 174.40 1xwd s GLU 76 N 1.45 3.76 -0.41 2.79 2.12 -0.38 -0.79 118.70 127.23 1xwd s GLU 76 Ca -0.03 -0.44 -0.00 0.00 0.36 0.00 0.00 54.97 54.86 1xwd s GLU 76 Cb -0.17 -3.56 0.11 0.00 0.26 0.00 0.00 34.13 30.77 1xwd s GLU 76 CO -0.07 -0.23 0.18 0.42 -0.54 0.00 0.00 175.26 175.02 1xwd s ILE 77 N 1.70 2.95 -0.03 -3.70 1.01 0.19 -0.36 121.20 122.95 1xwd s ILE 77 Ca 0.06 -2.32 0.03 0.00 0.00 0.00 0.00 60.65 58.43 1xwd s ILE 77 Cb -0.16 -3.06 0.00 0.00 0.01 0.00 0.00 42.46 39.26 1xwd s ILE 77 CO 0.08 -0.69 -0.12 -0.55 0.00 0.00 0.00 174.94 173.66 1xwd s SER 78 N 1.28 1.60 -1.26 3.58 0.15 0.33 -0.12 113.70 119.26 1xwd s SER 78 Ca 0.11 -0.25 -0.02 0.00 0.70 0.00 0.00 55.95 56.48 1xwd s SER 78 Cb -0.22 -0.45 0.00 0.00 -1.71 0.00 0.00 66.02 63.65 1xwd s SER 78 CO -0.05 0.10 1.01 0.00 1.20 0.00 0.00 173.24 175.50 1xwd n GLN 79 N 3.27 -6.74 -3.39 5.44 6.02 -0.78 -2.60 117.38 118.60 1xwd n GLN 79 Ca -0.18 0.82 -0.45 0.00 -0.01 0.00 0.00 57.00 57.17 1xwd n GLN 79 Cb 0.54 -5.80 -0.05 0.00 1.02 0.00 0.00 30.24 25.95 1xwd n GLN 79 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1xwd s ASN 80 N -4.09 6.23 0.38 1.08 0.01 -1.03 -2.58 114.94 114.94 1xwd s ASN 80 Ca 0.15 -2.18 0.14 0.00 -0.71 0.00 0.00 52.86 50.26 1xwd s ASN 80 Cb -0.07 -2.15 0.96 0.00 0.41 0.00 0.00 41.25 40.40 1xwd s ASN 80 CO 0.74 -0.70 1.84 0.44 -1.51 0.00 0.00 177.10 177.91 1xwd h ASP 81 N 8.32 0.53 0.00 -1.22 5.19 -1.81 -3.03 116.42 124.41 1xwd h ASP 81 Ca -0.13 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 1xwd h ASP 81 Cb 1.07 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.53 1xwd h ASP 81 CO 0.89 0.22 -0.05 1.33 -3.12 0.00 0.00 179.24 178.51 1xwd n VAL 82 N -4.57 1.45 -2.13 -1.35 0.24 -1.26 -4.20 118.33 106.50 1xwd n VAL 82 Ca 0.20 -1.70 -0.42 0.00 -2.04 0.00 0.00 64.34 60.38 1xwd n VAL 82 Cb 0.63 0.03 -0.03 0.00 -1.47 0.00 0.00 33.84 33.00 1xwd n VAL 82 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1xwd s LEU 83 N -2.10 4.30 0.00 1.34 2.96 -0.95 -4.16 118.68 120.07 1xwd s LEU 83 Ca 0.21 2.14 0.00 0.00 -0.22 0.00 0.00 54.13 56.26 1xwd s LEU 83 Cb 0.18 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.33 1xwd s LEU 83 CO 0.02 -0.84 0.00 -0.62 -1.32 0.00 0.00 176.35 173.59 1xwd n GLU 84 N 6.39 2.51 -3.82 1.98 1.02 0.44 -1.16 120.64 128.01 1xwd n GLU 84 Ca 0.15 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.17 1xwd n GLU 84 Cb 0.43 -0.94 -0.14 0.00 -0.02 0.00 0.00 31.44 30.78 1xwd n GLU 84 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1xwd s VAL 85 N -1.82 -0.02 -0.25 2.62 1.01 -1.09 -2.69 120.40 118.16 1xwd s VAL 85 Ca 0.00 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.06 1xwd s VAL 85 Cb 0.00 -0.12 0.04 0.00 0.00 0.00 0.00 36.38 36.30 1xwd s VAL 85 CO 0.00 0.03 -0.10 -0.63 0.00 0.00 0.00 175.10 174.39 1xwd s ILE 86 N 0.40 2.40 1.09 2.22 1.01 -0.69 -1.87 121.20 125.76 1xwd s ILE 86 Ca -0.03 -1.35 -0.18 0.00 0.00 0.00 0.00 60.65 59.08 1xwd s ILE 86 Cb -0.04 -2.30 0.28 0.00 0.01 0.00 0.00 42.46 40.41 1xwd s ILE 86 CO -0.01 0.11 0.78 -0.62 0.00 0.00 0.00 174.94 175.20 1xwd n GLU 87 N 4.54 -3.59 -2.75 2.79 1.02 -0.92 -1.09 120.64 120.64 1xwd n GLU 87 Ca -0.16 -1.28 -0.36 0.00 -0.02 0.00 0.00 57.16 55.34 1xwd n GLU 87 Cb 0.45 -1.42 -0.06 0.00 -0.02 0.00 0.00 31.44 30.38 1xwd n GLU 87 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xwd s ALA 88 N -2.52 3.17 -1.26 0.62 0.00 -1.26 -4.25 121.76 116.25 1xwd s ALA 88 Ca 0.55 0.53 -0.03 0.00 0.00 0.00 0.00 51.96 53.01 1xwd s ALA 88 Cb -0.08 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.86 1xwd s ALA 88 CO 0.44 0.12 1.06 -0.25 0.00 0.00 0.00 175.76 177.13 1xwd n ASP 89 N 0.31 -3.60 0.02 0.00 8.00 -0.16 -4.01 116.55 117.11 1xwd n ASP 89 Ca 0.03 -0.60 -0.21 0.00 0.71 0.00 0.00 54.79 54.72 1xwd n ASP 89 Cb 0.51 -5.05 -0.14 0.00 -0.02 0.00 0.00 41.12 36.42 1xwd n ASP 89 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1xwd h VAL 90 N -2.19 1.12 -3.65 2.53 2.07 -1.65 -0.87 116.25 113.61 1xwd h VAL 90 Ca -0.58 -2.43 -0.74 0.00 0.82 0.00 0.00 66.70 63.77 1xwd h VAL 90 Cb 1.35 2.80 -0.31 0.00 -1.52 0.00 0.00 31.29 33.61 1xwd h VAL 90 CO 0.53 0.70 -0.10 -0.36 0.02 0.00 0.00 177.57 178.36 1xwd s PHE 91 N -2.47 3.65 0.01 1.57 0.08 -0.70 -3.62 117.98 116.49 1xwd s PHE 91 Ca -0.19 -2.44 -0.25 0.00 0.12 0.00 0.00 56.93 54.17 1xwd s PHE 91 Cb 0.04 -3.50 0.06 0.00 -0.57 0.00 0.00 43.02 39.04 1xwd s PHE 91 CO 0.78 -0.90 0.55 -1.54 -0.10 0.00 0.00 175.22 174.01 1xwd s SER 92 N 1.25 -0.49 -1.29 1.36 1.04 -1.26 -0.74 113.70 113.57 1xwd s SER 92 Ca 0.19 0.36 -0.04 0.00 0.48 0.00 0.00 55.95 56.94 1xwd s SER 92 Cb -0.14 0.49 -0.01 0.00 0.10 0.00 0.00 66.02 66.46 1xwd s SER 92 CO -0.07 -0.65 0.67 -3.20 0.98 0.00 0.00 173.24 170.96 1xwd n ASN 93 N 0.67 -1.91 -3.42 7.02 4.05 -1.26 -4.73 115.26 115.69 1xwd n ASN 93 Ca -0.19 -0.88 -0.26 0.00 0.45 0.00 0.00 54.58 53.70 1xwd n ASN 93 Cb 0.59 -3.81 -0.08 0.00 1.23 0.00 0.00 39.78 37.71 1xwd n ASN 93 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1xwd n LEU 94 N -4.23 2.12 0.30 1.20 4.77 -1.26 -4.57 117.00 115.33 1xwd n LEU 94 Ca -0.26 -5.07 0.16 0.00 -0.03 0.00 0.00 56.01 50.81 1xwd n LEU 94 Cb 0.66 -0.15 0.93 0.00 -2.33 0.00 0.00 43.42 42.53 1xwd n LEU 94 CO 0.69 2.00 1.11 -0.65 -1.33 0.00 0.00 177.39 179.21 1xwd h PRO 95 N 4.44 0.00 -0.02 3.23 0.11 -1.87 -2.46 132.00 135.44 1xwd h PRO 95 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1xwd h PRO 95 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1xwd h PRO 95 CO 0.66 0.02 -0.16 1.63 -0.21 0.00 0.00 178.00 179.94 1xwd n LYS 96 N -3.74 1.66 -2.03 1.05 5.02 -1.26 -4.35 118.16 114.52 1xwd n LYS 96 Ca -0.03 -1.38 -0.42 0.00 -2.02 0.00 0.00 58.31 54.46 1xwd n LYS 96 Cb 0.10 -1.37 -0.03 0.00 -0.02 0.00 0.00 35.03 33.71 1xwd n LYS 96 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1xwd s LEU 97 N -1.89 4.34 -0.05 -0.35 2.96 -0.50 -4.22 118.68 118.98 1xwd s LEU 97 Ca 0.20 2.34 0.05 0.00 -0.22 0.00 0.00 54.13 56.51 1xwd s LEU 97 Cb 0.16 -3.56 -0.07 0.00 0.50 0.00 0.00 46.19 43.22 1xwd s LEU 97 CO 0.34 -0.84 0.04 1.41 -1.32 0.00 0.00 176.35 175.97 1xwd n HIS 98 N 5.73 0.00 -3.74 5.38 8.25 0.82 -2.93 115.22 128.73 1xwd n HIS 98 Ca 0.15 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.46 1xwd n HIS 98 Cb 0.42 -0.26 -0.16 0.00 1.12 0.00 0.00 29.99 31.10 1xwd n HIS 98 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1xwd s GLU 99 N -2.18 -0.01 -0.14 -0.41 2.12 -0.92 -0.69 118.70 116.48 1xwd s GLU 99 Ca -0.03 0.28 0.01 0.00 0.36 0.00 0.00 54.97 55.60 1xwd s GLU 99 Cb 0.02 -0.28 -0.00 0.00 0.26 0.00 0.00 34.13 34.13 1xwd s GLU 99 CO 0.24 -0.20 -0.17 0.42 -0.54 0.00 0.00 175.26 175.00 1xwd s ILE 100 N 1.35 2.58 -0.27 -3.70 1.01 -0.78 -1.89 121.20 119.50 1xwd s ILE 100 Ca -0.06 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 59.78 1xwd s ILE 100 Cb -0.12 -2.06 0.08 0.00 0.01 0.00 0.00 42.46 40.36 1xwd s ILE 100 CO -0.04 0.53 0.01 -0.13 0.00 0.00 0.00 174.94 175.32 1xwd s ARG 101 N 0.59 1.26 -0.42 2.79 0.52 0.03 -0.39 118.95 123.32 1xwd s ARG 101 Ca -0.10 -1.12 -0.10 0.00 -0.52 0.00 0.00 55.73 53.90 1xwd s ARG 101 Cb -0.16 -2.49 0.08 0.00 0.52 0.00 0.00 34.95 32.90 1xwd s ARG 101 CO 0.03 -0.77 0.27 0.42 0.02 0.00 0.00 175.30 175.27 1xwd s ILE 102 N 1.41 4.30 0.03 1.52 1.01 0.13 0.53 121.20 130.12 1xwd s ILE 102 Ca 0.02 -1.38 0.08 0.00 0.00 0.00 0.00 60.65 59.37 1xwd s ILE 102 Cb -0.18 -3.63 -0.02 0.00 0.01 0.00 0.00 42.46 38.63 1xwd s ILE 102 CO -0.12 -0.52 -0.24 -1.61 0.00 0.00 0.00 174.94 172.46 1xwd s GLU 103 N 1.44 1.69 -1.22 2.79 2.02 0.84 -1.80 118.70 124.45 1xwd s GLU 103 Ca 0.03 -0.98 -0.01 0.00 0.02 0.00 0.00 54.97 54.03 1xwd s GLU 103 Cb -0.23 -1.78 -0.01 0.00 0.10 0.00 0.00 34.13 32.21 1xwd s GLU 103 CO 0.02 0.47 0.87 1.63 0.02 0.00 0.00 175.26 178.27 1xwd n LYS 104 N 2.00 -5.29 -3.57 1.61 5.02 -0.72 -1.86 118.16 115.35 1xwd n LYS 104 Ca -0.17 0.75 -0.40 0.00 -2.02 0.00 0.00 58.31 56.48 1xwd n LYS 104 Cb 0.52 -5.54 -0.06 0.00 -0.02 0.00 0.00 35.03 29.93 1xwd n LYS 104 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xwd s ALA 105 N -3.48 3.92 0.32 7.82 0.00 -1.15 -2.47 121.76 126.72 1xwd s ALA 105 Ca 0.07 -3.43 0.09 0.00 0.00 0.00 0.00 51.96 48.68 1xwd s ALA 105 Cb -0.01 -2.99 0.93 0.00 0.00 0.00 0.00 23.12 21.05 1xwd s ALA 105 CO 0.77 -2.17 1.49 -1.71 0.00 0.00 0.00 175.76 174.13 1xwd n ASN 106 N 3.35 0.05 -0.37 0.00 5.15 -1.26 -2.28 115.26 119.91 1xwd n ASN 106 Ca 0.13 1.60 0.03 0.00 -0.60 0.00 0.00 54.58 55.74 1xwd n ASN 106 Cb 0.40 -0.65 0.09 0.00 -0.53 0.00 0.00 39.78 39.08 1xwd n ASN 106 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1xwd n ASN 107 N -5.31 2.48 -4.55 1.20 3.02 -1.26 -4.31 115.26 106.53 1xwd n ASN 107 Ca 0.27 -1.95 -0.36 0.00 -0.03 0.00 0.00 54.58 52.51 1xwd n ASN 107 Cb 0.91 -0.13 -0.04 0.00 -0.61 0.00 0.00 39.78 39.92 1xwd n ASN 107 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1xwd s LEU 108 N -0.97 3.25 -0.00 3.41 2.96 -0.31 -4.34 118.68 122.69 1xwd s LEU 108 Ca 0.13 -0.25 0.20 0.00 -0.22 0.00 0.00 54.13 53.99 1xwd s LEU 108 Cb 0.07 -2.55 -0.23 0.00 0.50 0.00 0.00 46.19 43.99 1xwd s LEU 108 CO 0.09 -2.32 0.80 0.18 -1.32 0.00 0.00 176.35 173.78 1xwd n LEU 109 N 12.25 0.84 -3.70 -0.68 4.77 -1.18 -0.39 117.00 128.91 1xwd n LEU 109 Ca 0.25 -0.45 -0.21 0.00 -0.03 0.00 0.00 56.01 55.57 1xwd n LEU 109 Cb 0.50 0.00 -0.18 0.00 -2.33 0.00 0.00 43.42 41.41 1xwd n LEU 109 CO 0.67 0.21 -0.35 -0.47 -1.33 0.00 0.00 177.39 176.12 1xwd s TYR 110 N -2.93 0.24 -0.19 -1.77 5.04 -1.09 -4.27 117.35 112.38 1xwd s TYR 110 Ca 0.06 0.10 -0.02 0.00 -2.44 0.00 0.00 57.07 54.77 1xwd s TYR 110 Cb 0.15 -0.58 -0.01 0.00 0.35 0.00 0.00 41.96 41.87 1xwd s TYR 110 CO 0.82 -0.25 -0.08 0.42 -1.34 0.00 0.00 175.55 175.12 1xwd s ILE 111 N 2.11 3.14 0.16 3.14 1.01 -1.26 -1.70 121.20 127.79 1xwd s ILE 111 Ca 0.05 -0.59 -0.31 0.00 0.00 0.00 0.00 60.65 59.80 1xwd s ILE 111 Cb -0.12 -2.39 -0.11 0.00 0.01 0.00 0.00 42.46 39.85 1xwd s ILE 111 CO -0.04 0.46 1.69 0.21 0.00 0.00 0.00 174.94 177.27 1xwd s ASN 112 N 1.17 6.48 0.00 3.58 3.84 -0.25 -4.85 114.94 124.92 1xwd s ASN 112 Ca 0.02 2.72 0.00 0.00 0.21 0.00 0.00 52.86 55.81 1xwd s ASN 112 Cb -0.14 -2.59 0.00 0.00 -0.55 0.00 0.00 41.25 37.97 1xwd s ASN 112 CO -0.03 -0.93 0.53 -2.65 -2.79 0.00 0.00 177.10 171.24 1xwd n PRO 113 N 4.57 0.00 -0.80 0.43 -0.02 -1.26 -0.18 135.00 137.74 1xwd n PRO 113 Ca 0.16 0.14 0.04 0.00 -2.02 0.00 0.00 63.50 61.82 1xwd n PRO 113 Cb 0.37 -1.61 0.17 0.00 -0.02 0.00 0.00 33.50 32.42 1xwd n PRO 113 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1xwd n GLU 114 N -1.03 1.45 -0.13 -0.52 1.02 -1.26 -4.69 120.64 115.49 1xwd n GLU 114 Ca 0.00 -3.16 -0.12 0.00 -0.02 0.00 0.00 57.16 53.86 1xwd n GLU 114 Cb 0.11 -1.42 -0.02 0.00 -0.02 0.00 0.00 31.44 30.08 1xwd n GLU 114 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xwd h ALA 115 N 1.06 0.54 -3.27 0.62 0.00 -0.74 -0.40 119.26 117.06 1xwd h ALA 115 Ca -0.02 -0.35 -0.62 0.00 0.00 0.00 0.00 54.91 53.92 1xwd h ALA 115 Cb 1.15 -0.13 -0.17 0.00 0.00 0.00 0.00 17.79 18.64 1xwd h ALA 115 CO 0.05 0.46 -0.58 -0.06 0.00 0.00 0.00 179.25 179.12 1xwd s PHE 116 N -4.66 3.22 -0.14 0.00 0.08 -1.26 -1.72 117.98 113.50 1xwd s PHE 116 Ca -0.12 0.02 -0.05 0.00 0.12 0.00 0.00 56.93 56.89 1xwd s PHE 116 Cb 0.10 -2.07 0.07 0.00 -0.57 0.00 0.00 43.02 40.55 1xwd s PHE 116 CO 0.83 0.12 0.30 -0.65 -0.10 0.00 0.00 175.22 175.72 1xwd s GLN 117 N 0.40 0.20 0.00 0.44 -0.21 0.08 -4.39 119.66 116.18 1xwd s GLN 117 Ca 0.02 0.80 0.00 0.00 0.02 0.00 0.00 55.36 56.20 1xwd s GLN 117 Cb -0.13 0.04 0.00 0.00 1.00 0.00 0.00 33.01 33.93 1xwd s GLN 117 CO 0.01 -0.27 0.00 -1.71 -2.12 0.00 0.00 175.29 171.20 1xwd n ASN 118 N 5.25 -5.50 -3.83 5.90 2.85 -0.47 -4.19 115.26 115.27 1xwd n ASN 118 Ca -0.09 0.37 -0.28 0.00 -0.11 0.00 0.00 54.58 54.47 1xwd n ASN 118 Cb 0.50 -1.30 -0.12 0.00 1.24 0.00 0.00 39.78 40.10 1xwd n ASN 118 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1xwd s LEU 119 N -0.76 4.14 0.61 1.20 1.43 -0.50 -4.30 118.68 120.51 1xwd s LEU 119 Ca 0.00 -3.52 0.26 0.00 -1.03 0.00 0.00 54.13 49.85 1xwd s LEU 119 Cb 0.00 -1.44 1.27 0.00 0.03 0.00 0.00 46.19 46.05 1xwd s LEU 119 CO 0.00 -0.13 1.70 -0.65 0.23 0.00 0.00 176.35 177.49 1xwd h PRO 120 N 5.72 0.00 -0.50 1.29 0.11 -1.79 -1.14 132.00 135.69 1xwd h PRO 120 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1xwd h PRO 120 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1xwd h PRO 120 CO 0.65 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.53 1xwd n ASN 121 N -3.36 3.39 -4.62 -2.05 3.02 -1.26 -0.07 115.26 110.31 1xwd n ASN 121 Ca 0.09 -1.97 -0.43 0.00 -0.03 0.00 0.00 54.58 52.25 1xwd n ASN 121 Cb 0.84 -0.33 -0.03 0.00 -0.61 0.00 0.00 39.78 39.66 1xwd n ASN 121 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1xwd s LEU 122 N -1.07 3.76 -0.22 3.41 2.96 -0.43 -4.17 118.68 122.93 1xwd s LEU 122 Ca 0.36 1.69 0.10 0.00 -0.22 0.00 0.00 54.13 56.06 1xwd s LEU 122 Cb 0.19 -3.53 -0.20 0.00 0.50 0.00 0.00 46.19 43.15 1xwd s LEU 122 CO 0.25 -1.49 -0.07 0.00 -1.32 0.00 0.00 176.35 173.72 1xwd n GLN 123 N 8.06 0.72 -4.09 1.98 6.02 -0.07 -4.48 117.38 125.52 1xwd n GLN 123 Ca 0.22 0.07 -0.18 0.00 -0.01 0.00 0.00 57.00 57.09 1xwd n GLN 123 Cb 0.45 -1.50 -0.16 0.00 1.02 0.00 0.00 30.24 30.05 1xwd n GLN 123 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 1xwd s TYR 124 N -2.49 0.56 -0.20 1.08 5.04 0.14 -0.17 117.35 121.31 1xwd s TYR 124 Ca -0.21 -0.12 -0.02 0.00 -2.44 0.00 0.00 57.07 54.28 1xwd s TYR 124 Cb 0.07 -0.52 0.06 0.00 0.35 0.00 0.00 41.96 41.92 1xwd s TYR 124 CO 0.69 -0.14 0.02 -1.17 -1.34 0.00 0.00 175.55 173.61 1xwd s LEU 125 N 0.80 1.46 -0.21 6.97 2.96 -0.48 -1.87 118.68 128.32 1xwd s LEU 125 Ca -0.10 -0.89 -0.03 0.00 -0.22 0.00 0.00 54.13 52.89 1xwd s LEU 125 Cb -0.13 -0.71 -0.01 0.00 0.50 0.00 0.00 46.19 45.84 1xwd s LEU 125 CO -0.00 -0.29 -0.05 -0.22 -1.32 0.00 0.00 176.35 174.46 1xwd s LEU 126 N 1.76 2.87 -0.18 -0.68 2.96 0.47 -1.13 118.68 124.77 1xwd s LEU 126 Ca -0.02 -0.38 -0.01 0.00 -0.22 0.00 0.00 54.13 53.50 1xwd s LEU 126 Cb -0.17 -1.72 0.05 0.00 0.50 0.00 0.00 46.19 44.84 1xwd s LEU 126 CO -0.08 0.01 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.30 1xwd s ILE 127 N 1.32 1.01 0.05 6.68 1.01 -0.79 -0.70 121.20 129.79 1xwd s ILE 127 Ca 0.04 -0.67 -0.07 0.00 0.00 0.00 0.00 60.65 59.95 1xwd s ILE 127 Cb -0.14 -1.27 -0.01 0.00 0.01 0.00 0.00 42.46 41.05 1xwd s ILE 127 CO -0.03 0.03 0.13 -0.94 0.00 0.00 0.00 174.94 174.13 1xwd s SER 128 N 1.66 0.16 -1.41 3.58 1.04 -0.74 -1.29 113.70 116.70 1xwd s SER 128 Ca -0.00 -0.58 -0.01 0.00 0.48 0.00 0.00 55.95 55.84 1xwd s SER 128 Cb -0.16 0.27 0.01 0.00 0.10 0.00 0.00 66.02 66.24 1xwd s SER 128 CO -0.07 -0.59 0.47 -3.20 0.98 0.00 0.00 173.24 170.82 1xwd n ASN 129 N 0.46 -0.57 -4.81 7.02 2.85 -0.93 -1.75 115.26 117.53 1xwd n ASN 129 Ca -0.17 -0.99 -0.30 0.00 -0.11 0.00 0.00 54.58 53.01 1xwd n ASN 129 Cb 0.60 -3.15 -0.05 0.00 1.24 0.00 0.00 39.78 38.41 1xwd n ASN 129 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1xwd s THR 130 N -3.90 1.45 -1.54 -0.44 2.01 -1.26 -2.91 115.64 109.06 1xwd s THR 130 Ca 0.04 -1.80 0.13 0.00 0.31 0.00 0.00 61.69 60.37 1xwd s THR 130 Cb -0.02 -2.24 0.09 0.00 0.01 0.00 0.00 72.50 70.33 1xwd s THR 130 CO 0.88 0.00 0.88 0.61 -0.69 0.00 0.00 174.62 176.30 1xwd n GLY 131 N -1.43 -0.17 3.53 4.40 0.00 -0.93 -4.27 105.19 106.32 1xwd n GLY 131 Ca -0.11 -0.36 -0.39 0.00 0.00 0.00 0.00 46.02 45.15 1xwd n GLY 131 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1xwd n ILE 132 N 0.62 2.60 0.33 -0.61 -5.35 0.48 -4.51 119.36 112.92 1xwd n ILE 132 Ca 0.07 -0.50 0.04 0.00 -0.27 0.00 0.00 62.75 62.09 1xwd n ILE 132 Cb 0.31 -0.89 -0.01 0.00 -1.74 0.00 0.00 39.64 37.32 1xwd n ILE 132 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1xwd n LYS 133 N -0.16 2.51 -4.52 6.28 5.02 -1.26 -3.80 118.16 122.24 1xwd n LYS 133 Ca 0.12 -0.46 -0.21 0.00 -2.02 0.00 0.00 58.31 55.74 1xwd n LYS 133 Cb 0.44 -0.98 -0.15 0.00 -0.02 0.00 0.00 35.03 34.33 1xwd n LYS 133 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1xwd s HIS 134 N -1.18 1.14 0.54 2.13 3.76 -1.26 -4.10 115.29 116.32 1xwd s HIS 134 Ca 0.06 -0.24 -0.22 0.00 -0.15 0.00 0.00 55.06 54.51 1xwd s HIS 134 Cb 0.06 -0.72 -0.05 0.00 1.11 0.00 0.00 32.58 32.98 1xwd s HIS 134 CO 0.20 -0.01 1.34 -0.51 -0.85 0.00 0.00 174.74 174.91 1xwd s LEU 135 N -0.48 3.86 0.73 0.89 1.43 -1.26 -4.95 118.68 118.89 1xwd s LEU 135 Ca 0.04 2.72 -0.16 0.00 -1.03 0.00 0.00 54.13 55.70 1xwd s LEU 135 Cb -0.05 -4.28 0.03 0.00 0.03 0.00 0.00 46.19 41.91 1xwd s LEU 135 CO -0.00 -1.52 1.13 -2.65 0.23 0.00 0.00 176.35 173.54 1xwd n PRO 136 N -1.00 0.56 -3.02 1.29 -0.02 -1.26 -4.94 135.00 126.61 1xwd n PRO 136 Ca 0.10 0.25 -0.43 0.00 -2.02 0.00 0.00 63.50 61.40 1xwd n PRO 136 Cb 0.45 -2.38 -0.06 0.00 -0.02 0.00 0.00 33.50 31.50 1xwd n PRO 136 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1xwd s ASP 137 N -1.73 6.30 0.00 2.55 -1.08 -1.26 -4.88 116.67 116.57 1xwd s ASP 137 Ca 0.76 -0.52 0.14 0.00 -0.52 0.00 0.00 52.55 52.41 1xwd s ASP 137 Cb -0.34 -2.36 0.12 0.00 -1.46 0.00 0.00 42.92 38.89 1xwd s ASP 137 CO 0.48 -0.99 0.96 1.33 0.52 0.00 0.00 175.17 177.47 1xwd n VAL 138 N 5.92 0.04 0.58 1.11 0.24 -1.26 -4.55 118.33 120.40 1xwd n VAL 138 Ca -0.02 -0.52 0.06 0.00 -2.04 0.00 0.00 64.34 61.83 1xwd n VAL 138 Cb 0.47 1.26 0.32 0.00 -1.47 0.00 0.00 33.84 34.42 1xwd n VAL 138 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xwd n HIS 139 N 0.79 0.00 0.85 6.34 1.44 -1.24 -1.15 115.22 122.25 1xwd n HIS 139 Ca 0.08 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.88 1xwd n HIS 139 Cb 0.36 -0.35 -0.07 0.00 0.12 0.00 0.00 29.99 30.05 1xwd n HIS 139 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1xwd n LYS 140 N -1.35 1.17 0.05 -1.40 5.02 -1.26 -4.58 118.16 115.81 1xwd n LYS 140 Ca 0.05 -0.29 -0.12 0.00 -2.02 0.00 0.00 58.31 55.93 1xwd n LYS 140 Cb 0.12 -1.36 -0.07 0.00 -0.02 0.00 0.00 35.03 33.70 1xwd n LYS 140 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1xwd h ILE 141 N 0.67 1.02 -6.30 -0.18 2.04 -1.29 -1.24 117.51 112.23 1xwd h ILE 141 Ca 0.00 -0.15 -0.47 0.00 1.00 0.00 0.00 64.86 65.24 1xwd h ILE 141 Cb 0.50 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 1xwd h ILE 141 CO 0.00 0.04 -0.78 1.41 0.00 0.00 0.00 178.15 178.82 1xwd n HIS 142 N -5.08 -2.21 -1.88 1.37 8.25 0.09 -1.41 115.22 114.35 1xwd n HIS 142 Ca -0.07 0.89 -0.41 0.00 -0.26 0.00 0.00 57.72 57.86 1xwd n HIS 142 Cb 0.07 -3.98 -0.02 0.00 1.12 0.00 0.00 29.99 27.19 1xwd n HIS 142 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1xwd s SER 143 N -3.48 6.49 0.01 0.41 0.15 0.37 -4.52 113.70 113.12 1xwd s SER 143 Ca 0.56 2.85 0.26 0.00 0.70 0.00 0.00 55.95 60.32 1xwd s SER 143 Cb -0.28 -2.63 1.09 0.00 -1.71 0.00 0.00 66.02 62.48 1xwd s SER 143 CO 0.83 -0.82 1.82 0.18 1.20 0.00 0.00 173.24 176.46 1xwd n LEU 144 N 1.98 0.03 -4.71 3.45 4.77 0.90 -1.60 117.00 121.83 1xwd n LEU 144 Ca 0.06 0.50 -0.24 0.00 -0.03 0.00 0.00 56.01 56.31 1xwd n LEU 144 Cb 0.39 -0.50 -0.07 0.00 -2.33 0.00 0.00 43.42 40.91 1xwd n LEU 144 CO 0.62 -0.07 -0.22 -1.10 -1.33 0.00 0.00 177.39 175.30 1xwd s GLN 145 N -3.01 2.27 0.22 3.23 -1.52 -1.24 -4.78 119.66 114.83 1xwd s GLN 145 Ca 0.12 -1.65 -0.32 0.00 -1.95 0.00 0.00 55.36 51.57 1xwd s GLN 145 Cb 0.17 -2.08 -0.14 0.00 -0.22 0.00 0.00 33.01 30.74 1xwd s GLN 145 CO 0.47 0.08 1.39 1.63 -0.25 0.00 0.00 175.29 178.61 1xwd n LYS 146 N -1.11 1.92 -4.83 2.91 5.02 -1.26 -4.61 118.16 116.21 1xwd n LYS 146 Ca -0.03 0.69 -0.32 0.00 -2.02 0.00 0.00 58.31 56.63 1xwd n LYS 146 Cb 0.62 -2.33 -0.13 0.00 -0.02 0.00 0.00 35.03 33.17 1xwd n LYS 146 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1xwd s VAL 147 N 0.01 2.86 -0.35 -0.18 1.01 -1.22 -4.49 120.40 118.04 1xwd s VAL 147 Ca 0.70 -0.96 -0.09 0.00 0.00 0.00 0.00 61.98 61.63 1xwd s VAL 147 Cb -0.68 -2.15 0.03 0.00 0.00 0.00 0.00 36.38 33.58 1xwd s VAL 147 CO 0.49 0.48 0.15 -0.22 0.00 0.00 0.00 175.10 176.00 1xwd s LEU 148 N -1.04 4.47 -0.36 3.92 2.96 0.76 -1.07 118.68 128.33 1xwd s LEU 148 Ca 0.13 -1.02 -0.13 0.00 -0.22 0.00 0.00 54.13 52.89 1xwd s LEU 148 Cb -0.11 -1.95 0.00 0.00 0.50 0.00 0.00 46.19 44.64 1xwd s LEU 148 CO 0.03 -0.34 0.24 -0.22 -1.32 0.00 0.00 176.35 174.74 1xwd s LEU 149 N 1.49 4.68 -0.48 -0.68 2.96 0.18 -1.38 118.68 125.44 1xwd s LEU 149 Ca 0.01 -0.67 0.03 0.00 -0.22 0.00 0.00 54.13 53.27 1xwd s LEU 149 Cb -0.19 -2.11 0.13 0.00 0.50 0.00 0.00 46.19 44.52 1xwd s LEU 149 CO 0.05 -0.32 0.25 -0.62 -1.32 0.00 0.00 176.35 174.39 1xwd s ASP 150 N 1.67 3.98 -0.33 3.68 2.15 -0.28 0.55 116.67 128.08 1xwd s ASP 150 Ca 0.05 -2.84 -0.08 0.00 0.43 0.00 0.00 52.55 50.12 1xwd s ASP 150 Cb -0.18 -1.33 0.03 0.00 -0.30 0.00 0.00 42.92 41.13 1xwd s ASP 150 CO 0.09 -0.25 0.13 -0.63 -0.17 0.00 0.00 175.17 174.34 1xwd s ILE 151 N 0.01 4.08 0.21 4.11 1.01 -0.02 -1.88 121.20 128.71 1xwd s ILE 151 Ca 0.18 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.93 1xwd s ILE 151 Cb -0.25 -3.23 -0.05 0.00 0.01 0.00 0.00 42.46 38.95 1xwd s ILE 151 CO -0.00 -0.11 0.09 -1.10 0.00 0.00 0.00 174.94 173.83 1xwd s GLN 152 N 1.48 1.24 -0.85 2.79 -0.21 -0.41 -3.52 119.66 120.18 1xwd s GLN 152 Ca 0.01 -1.65 0.00 0.00 0.02 0.00 0.00 55.36 53.74 1xwd s GLN 152 Cb -0.19 -0.01 0.00 0.00 1.00 0.00 0.00 33.01 33.82 1xwd s GLN 152 CO 0.04 -0.31 0.00 -0.25 -2.12 0.00 0.00 175.29 172.65 1xwd n ASP 153 N -0.32 -2.48 -4.40 5.90 8.00 -0.35 -2.18 116.55 120.71 1xwd n ASP 153 Ca -0.01 0.23 -0.45 0.00 0.71 0.00 0.00 54.79 55.28 1xwd n ASP 153 Cb 0.66 -2.38 -0.01 0.00 -0.02 0.00 0.00 41.12 39.37 1xwd n ASP 153 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1xwd s ASN 154 N -1.81 7.04 0.41 -2.24 0.01 -1.24 -3.69 114.94 113.42 1xwd s ASN 154 Ca 0.00 -3.00 0.25 0.00 -0.71 0.00 0.00 52.86 49.40 1xwd s ASN 154 Cb 0.00 -2.31 1.36 0.00 0.41 0.00 0.00 41.25 40.72 1xwd s ASN 154 CO 0.00 -0.62 1.75 -0.29 -1.51 0.00 0.00 177.10 176.43 1xwd h ILE 155 N 4.53 0.00 -0.02 0.60 2.10 -1.83 -2.02 117.51 120.88 1xwd h ILE 155 Ca 0.21 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.15 1xwd h ILE 155 Cb 0.92 0.56 0.00 0.00 -1.09 0.00 0.00 36.82 37.21 1xwd h ILE 155 CO 1.07 0.00 -0.12 0.59 -1.08 0.00 0.00 178.15 178.61 1xwd n ASN 156 N -2.42 1.76 -4.58 2.19 3.02 -1.26 -3.76 115.26 110.21 1xwd n ASN 156 Ca -0.02 -1.45 -0.42 0.00 -0.03 0.00 0.00 54.58 52.65 1xwd n ASN 156 Cb 0.12 0.09 -0.05 0.00 -0.61 0.00 0.00 39.78 39.33 1xwd n ASN 156 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1xwd s ILE 157 N -2.18 4.67 -0.15 2.41 1.01 -0.76 -4.41 121.20 121.79 1xwd s ILE 157 Ca 0.30 0.86 0.14 0.00 0.00 0.00 0.00 60.65 61.95 1xwd s ILE 157 Cb 0.20 -4.26 -0.20 0.00 0.01 0.00 0.00 42.46 38.21 1xwd s ILE 157 CO 0.40 -0.52 0.36 1.41 0.00 0.00 0.00 174.94 176.59 1xwd n HIS 158 N 6.58 0.00 -4.22 3.97 8.25 -1.25 -0.75 115.22 127.80 1xwd n HIS 158 Ca 0.04 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.33 1xwd n HIS 158 Cb 0.48 -0.25 -0.14 0.00 1.12 0.00 0.00 29.99 31.21 1xwd n HIS 158 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1xwd s THR 159 N -2.80 0.59 -0.07 1.59 2.01 -1.26 -0.23 115.64 115.47 1xwd s THR 159 Ca -0.03 -0.51 0.03 0.00 0.31 0.00 0.00 61.69 61.49 1xwd s THR 159 Cb 0.09 -0.54 -0.02 0.00 0.01 0.00 0.00 72.50 72.04 1xwd s THR 159 CO 0.57 0.04 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.76 1xwd s ILE 160 N -0.46 2.97 0.28 1.82 1.01 -0.69 -4.67 121.20 121.47 1xwd s ILE 160 Ca 0.00 -0.74 0.07 0.00 0.00 0.00 0.00 60.65 59.98 1xwd s ILE 160 Cb -0.05 -2.18 -0.06 0.00 0.01 0.00 0.00 42.46 40.19 1xwd s ILE 160 CO 0.00 0.57 -0.06 -1.61 0.00 0.00 0.00 174.94 173.84 1xwd s GLU 161 N -0.45 1.56 -0.49 2.79 2.02 -1.26 -1.00 118.70 121.87 1xwd s GLU 161 Ca 0.05 -1.79 -0.46 0.00 0.02 0.00 0.00 54.97 52.80 1xwd s GLU 161 Cb -0.12 -1.19 -0.19 0.00 0.10 0.00 0.00 34.13 32.73 1xwd s GLU 161 CO 0.02 0.05 1.73 0.54 0.02 0.00 0.00 175.26 177.61 1xwd n ARG 162 N -0.59 0.07 -2.60 1.61 5.12 -1.26 -2.03 116.66 116.98 1xwd n ARG 162 Ca -0.05 0.03 -0.06 0.00 -1.93 0.00 0.00 57.85 55.83 1xwd n ARG 162 Cb 0.63 -1.54 0.03 0.00 -1.16 0.00 0.00 32.46 30.42 1xwd n ARG 162 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1xwd n ASN 163 N 4.87 -2.55 0.08 0.55 5.03 0.11 -4.90 115.26 118.45 1xwd n ASN 163 Ca 0.36 -0.18 -0.06 0.00 0.87 0.00 0.00 54.58 55.56 1xwd n ASN 163 Cb -0.04 -1.94 -0.05 0.00 -1.02 0.00 0.00 39.78 36.72 1xwd n ASN 163 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 1xwd h SER 164 N -0.70 0.02 -0.06 6.41 0.02 -0.73 -3.35 113.55 115.17 1xwd h SER 164 Ca -0.18 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 1xwd h SER 164 Cb 1.11 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.64 1xwd h SER 164 CO 0.16 0.92 0.00 0.49 -1.14 0.00 0.00 176.83 177.27 1xwd n PHE 165 N -3.46 0.09 -2.09 3.45 3.72 -1.25 -4.46 117.46 113.45 1xwd n PHE 165 Ca -0.01 -0.54 -0.40 0.00 -0.05 0.00 0.00 57.45 56.45 1xwd n PHE 165 Cb 0.87 -0.06 -0.02 0.00 -0.94 0.00 0.00 39.48 39.33 1xwd n PHE 165 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1xwd s VAL 166 N -1.15 2.68 0.00 -4.37 1.01 -1.26 -2.86 120.40 114.45 1xwd s VAL 166 Ca 0.06 0.66 0.00 0.00 0.00 0.00 0.00 61.98 62.71 1xwd s VAL 166 Cb 0.04 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 33.01 1xwd s VAL 166 CO 0.03 0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.88 1xwd n GLY 167 N 0.75 2.44 0.19 4.51 0.00 -1.26 -3.61 105.19 108.21 1xwd n GLY 167 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 1xwd n GLY 167 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xwd h LEU 168 N 0.00 -0.43 -8.24 0.99 5.85 -1.59 0.28 115.31 112.17 1xwd h LEU 168 Ca 0.00 0.06 -0.14 0.00 0.84 0.00 0.00 57.88 58.64 1xwd h LEU 168 Cb 0.00 0.18 -0.14 0.00 0.37 0.00 0.00 40.66 41.07 1xwd h LEU 168 CO 0.00 -0.21 -0.48 -0.55 -0.34 0.00 0.00 178.44 176.87 1xwd s SER 169 N -4.99 0.17 0.00 1.25 0.15 -1.26 -0.48 113.70 108.54 1xwd s SER 169 Ca -0.15 -1.02 0.22 0.00 0.70 0.00 0.00 55.95 55.70 1xwd s SER 169 Cb 0.08 0.37 0.75 0.00 -1.71 0.00 0.00 66.02 65.51 1xwd s SER 169 CO 0.66 -0.81 1.55 0.49 1.20 0.00 0.00 173.24 176.33 1xwd n PHE 170 N -0.15 0.21 -3.71 3.44 3.72 -0.63 -4.86 117.46 115.48 1xwd n PHE 170 Ca -0.07 -0.10 -0.02 0.00 -0.05 0.00 0.00 57.45 57.20 1xwd n PHE 170 Cb 0.63 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.17 1xwd n PHE 170 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 1xwd n GLU 171 N 0.39 0.11 -0.74 -1.08 0.28 -1.26 -5.07 120.64 113.27 1xwd n GLU 171 Ca 0.17 -0.46 -0.29 0.00 -0.16 0.00 0.00 57.16 56.41 1xwd n GLU 171 Cb 0.35 0.44 -0.04 0.00 1.43 0.00 0.00 31.44 33.62 1xwd n GLU 171 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1xwd n SER 172 N -2.16 0.20 -3.95 -1.84 2.88 -1.26 -4.62 113.62 102.87 1xwd n SER 172 Ca 0.00 0.55 -0.21 0.00 -1.33 0.00 0.00 58.87 57.88 1xwd n SER 172 Cb 0.10 -0.42 -0.16 0.00 -0.75 0.00 0.00 64.21 62.97 1xwd n SER 172 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1xwd s VAL 173 N 0.51 0.73 -0.23 2.46 1.01 -0.90 -3.37 120.40 120.61 1xwd s VAL 173 Ca 0.45 -0.26 -0.09 0.00 0.00 0.00 0.00 61.98 62.08 1xwd s VAL 173 Cb -0.63 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 1xwd s VAL 173 CO 0.31 0.26 0.12 -0.63 0.00 0.00 0.00 175.10 175.15 1xwd s ILE 174 N 0.67 4.94 -0.32 2.22 1.01 -0.23 -1.74 121.20 127.75 1xwd s ILE 174 Ca -0.11 0.03 -0.05 0.00 0.00 0.00 0.00 60.65 60.53 1xwd s ILE 174 Cb -0.13 -3.29 0.04 0.00 0.01 0.00 0.00 42.46 39.08 1xwd s ILE 174 CO 0.01 0.36 0.05 -0.76 0.00 0.00 0.00 174.94 174.61 1xwd s LEU 175 N 1.12 4.05 -0.82 2.97 1.43 -0.45 0.48 118.68 127.47 1xwd s LEU 175 Ca 0.06 -1.13 -0.11 0.00 -1.03 0.00 0.00 54.13 51.92 1xwd s LEU 175 Cb -0.14 -1.80 0.21 0.00 0.03 0.00 0.00 46.19 44.49 1xwd s LEU 175 CO 0.04 -0.28 0.74 0.26 0.23 0.00 0.00 176.35 177.34 1xwd s TRP 176 N 1.35 3.75 -0.36 0.29 0.51 0.19 -1.70 118.94 122.97 1xwd s TRP 176 Ca -0.02 -2.27 0.04 0.00 -2.12 0.00 0.00 56.10 51.72 1xwd s TRP 176 Cb -0.19 -3.66 0.53 0.00 -0.81 0.00 0.00 33.47 29.34 1xwd s TRP 176 CO 0.01 -0.94 1.72 1.28 -0.51 0.00 0.00 176.95 178.50 1xwd n LEU 177 N 3.65 5.90 -4.61 2.99 4.77 -0.52 -0.84 117.00 128.34 1xwd n LEU 177 Ca 0.14 -3.13 -0.45 0.00 -0.03 0.00 0.00 56.01 52.54 1xwd n LEU 177 Cb 0.44 -0.76 -0.02 0.00 -2.33 0.00 0.00 43.42 40.75 1xwd n LEU 177 CO 0.35 0.92 0.66 -3.20 -1.33 0.00 0.00 177.39 174.78 1xwd n ASN 178 N -0.74 1.60 -3.67 -1.43 4.05 -0.93 -4.40 115.26 109.74 1xwd n ASN 178 Ca 0.46 1.18 -0.26 0.00 0.45 0.00 0.00 54.58 56.41 1xwd n ASN 178 Cb 1.41 -1.32 0.04 0.00 1.23 0.00 0.00 39.78 41.14 1xwd n ASN 178 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1xwd n LYS 179 N 0.91 -2.59 0.00 1.20 5.02 -0.06 -3.69 118.16 118.95 1xwd n LYS 179 Ca 0.10 0.54 0.00 0.00 -2.02 0.00 0.00 58.31 56.93 1xwd n LYS 179 Cb 0.32 -4.67 0.00 0.00 -0.02 0.00 0.00 35.03 30.65 1xwd n LYS 179 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1xwd n ASN 180 N -2.89 0.00 -1.12 4.39 3.02 -1.26 -1.21 115.26 116.19 1xwd n ASN 180 Ca -0.17 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.38 1xwd n ASN 180 Cb 0.63 0.00 0.13 0.00 -0.61 0.00 0.00 39.78 39.93 1xwd n ASN 180 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xwd n GLY 181 N 4.48 4.30 3.70 7.41 0.00 -0.62 -4.61 105.19 119.86 1xwd n GLY 181 Ca 0.00 -1.40 -0.43 0.00 0.00 0.00 0.00 46.02 44.18 1xwd n GLY 181 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xwd n ILE 182 N -0.70 0.42 0.00 -0.61 5.41 0.07 -3.82 119.36 120.14 1xwd n ILE 182 Ca 0.19 -0.11 0.00 0.00 1.00 0.00 0.00 62.75 63.84 1xwd n ILE 182 Cb 0.83 -1.78 0.00 0.00 -0.71 0.00 0.00 39.64 37.98 1xwd n ILE 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1xwd n GLN 183 N 3.04 2.42 -3.88 0.38 6.02 0.68 -3.50 117.38 122.54 1xwd n GLN 183 Ca 0.14 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.95 1xwd n GLN 183 Cb 0.33 -0.75 -0.17 0.00 1.02 0.00 0.00 30.24 30.68 1xwd n GLN 183 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1xwd s GLU 184 N -1.28 0.29 -0.09 -1.09 2.02 -1.02 -4.45 118.70 113.09 1xwd s GLU 184 Ca 0.00 0.11 0.02 0.00 0.02 0.00 0.00 54.97 55.13 1xwd s GLU 184 Cb 0.00 -0.53 -0.02 0.00 0.10 0.00 0.00 34.13 33.68 1xwd s GLU 184 CO 0.00 -0.18 -0.15 0.42 0.02 0.00 0.00 175.26 175.38 1xwd s ILE 185 N 1.25 2.95 0.21 -1.63 1.01 -1.26 -1.71 121.20 122.03 1xwd s ILE 185 Ca -0.07 -0.73 -0.03 0.00 0.00 0.00 0.00 60.65 59.82 1xwd s ILE 185 Cb -0.13 -2.19 -0.05 0.00 0.01 0.00 0.00 42.46 40.10 1xwd s ILE 185 CO -0.02 0.56 0.44 -1.00 0.00 0.00 0.00 174.94 174.92 1xwd s HIS 186 N -0.20 3.48 0.63 3.97 3.76 -0.17 -4.44 115.29 122.33 1xwd s HIS 186 Ca -0.00 0.50 -0.17 0.00 -0.15 0.00 0.00 55.06 55.23 1xwd s HIS 186 Cb -0.13 -1.97 -0.06 0.00 1.11 0.00 0.00 32.58 31.52 1xwd s HIS 186 CO 0.03 0.33 0.59 0.09 -0.85 0.00 0.00 174.74 174.93 1xwd n ASN 187 N -0.54 -0.85 -2.37 1.40 3.02 -1.26 -2.05 115.26 112.61 1xwd n ASN 187 Ca -0.03 0.69 -0.19 0.00 -0.03 0.00 0.00 54.58 55.02 1xwd n ASN 187 Cb 0.53 -1.22 -0.01 0.00 -0.61 0.00 0.00 39.78 38.47 1xwd n ASN 187 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xwd h ALA 189 N 0.96 1.04 -0.40 0.00 0.00 -1.43 0.31 119.26 119.74 1xwd h ALA 189 Ca -0.44 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1xwd h ALA 189 Cb 1.33 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1xwd h ALA 189 CO 0.53 0.60 0.00 1.19 0.00 0.00 0.00 179.25 181.57 1xwd n PHE 190 N -4.34 1.24 -1.56 0.00 3.72 -1.22 -1.74 117.46 113.55 1xwd n PHE 190 Ca 0.08 -0.77 -0.41 0.00 -0.05 0.00 0.00 57.45 56.30 1xwd n PHE 190 Cb 0.14 -0.32 0.02 0.00 -0.94 0.00 0.00 39.48 38.38 1xwd n PHE 190 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1xwd n ASN 191 N 0.09 0.50 -1.79 4.37 5.15 -1.12 -2.14 115.26 120.31 1xwd n ASN 191 Ca 0.22 0.95 -0.21 0.00 -0.60 0.00 0.00 54.58 54.95 1xwd n ASN 191 Cb 0.92 -1.29 -0.07 0.00 -0.53 0.00 0.00 39.78 38.81 1xwd n ASN 191 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1xwd n GLY 192 N 1.39 1.27 3.17 8.20 0.00 0.22 -4.20 105.19 115.24 1xwd n GLY 192 Ca 0.11 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 1xwd n GLY 192 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1xwd s THR 193 N -2.84 1.34 -0.97 2.61 -1.32 -0.91 -4.46 115.64 109.09 1xwd s THR 193 Ca 0.00 -0.91 -0.14 0.00 -1.21 0.00 0.00 61.69 59.43 1xwd s THR 193 Cb 0.00 -1.15 0.21 0.00 -1.51 0.00 0.00 72.50 70.05 1xwd s THR 193 CO 0.00 0.22 1.02 -1.10 -2.21 0.00 0.00 174.62 172.55 1xwd s GLN 194 N -0.80 3.82 -0.82 7.08 -0.21 -1.26 -1.69 119.66 125.79 1xwd s GLN 194 Ca 0.05 -2.52 -0.25 0.00 0.02 0.00 0.00 55.36 52.66 1xwd s GLN 194 Cb -0.07 -4.65 -0.01 0.00 1.00 0.00 0.00 33.01 29.28 1xwd s GLN 194 CO 0.01 -1.44 1.74 -0.51 -2.12 0.00 0.00 175.29 172.96 1xwd s LEU 195 N 0.52 3.26 -0.01 2.90 1.43 -1.26 -2.12 118.68 123.40 1xwd s LEU 195 Ca 0.28 -0.49 -0.25 0.00 -1.03 0.00 0.00 54.13 52.63 1xwd s LEU 195 Cb -0.08 -2.55 -0.19 0.00 0.03 0.00 0.00 46.19 43.40 1xwd s LEU 195 CO -0.08 -2.28 1.32 -0.78 0.23 0.00 0.00 176.35 174.76 1xwd h ASP 196 N 11.91 -0.03 -4.68 2.29 3.58 -1.62 -2.91 116.42 124.97 1xwd h ASP 196 Ca -0.04 -0.39 -0.12 0.00 0.42 0.00 0.00 57.03 56.89 1xwd h ASP 196 Cb 1.06 0.01 -0.21 0.00 1.72 0.00 0.00 39.33 41.90 1xwd h ASP 196 CO 1.26 0.38 -0.28 -0.70 -2.88 0.00 0.00 179.24 177.03 1xwd s GLU 197 N -4.53 0.60 -0.04 0.28 2.12 -1.22 -2.86 118.70 113.06 1xwd s GLU 197 Ca -0.15 -0.00 -0.02 0.00 0.36 0.00 0.00 54.97 55.16 1xwd s GLU 197 Cb 0.02 0.27 0.03 0.00 0.26 0.00 0.00 34.13 34.71 1xwd s GLU 197 CO 0.66 -0.15 0.06 -1.17 -0.54 0.00 0.00 175.26 174.12 1xwd s LEU 198 N -0.91 0.24 -0.21 2.70 2.96 -0.88 -1.34 118.68 121.25 1xwd s LEU 198 Ca -0.10 0.07 0.01 0.00 -0.22 0.00 0.00 54.13 53.89 1xwd s LEU 198 Cb -0.04 -0.14 0.03 0.00 0.50 0.00 0.00 46.19 46.54 1xwd s LEU 198 CO 0.03 -0.24 -0.15 0.21 -1.32 0.00 0.00 176.35 174.88 1xwd s ASN 199 N 2.05 3.63 -0.13 3.68 3.84 -0.69 0.12 114.94 127.45 1xwd s ASN 199 Ca 0.04 -0.81 0.15 0.00 0.21 0.00 0.00 52.86 52.45 1xwd s ASN 199 Cb -0.12 -1.54 0.35 0.00 -0.55 0.00 0.00 41.25 39.39 1xwd s ASN 199 CO -0.03 -0.06 1.17 0.18 -2.79 0.00 0.00 177.10 175.57 1xwd n LEU 200 N 4.60 1.99 -4.76 3.21 4.77 0.11 -1.44 117.00 125.49 1xwd n LEU 200 Ca -0.19 -3.02 -0.36 0.00 -0.03 0.00 0.00 56.01 52.41 1xwd n LEU 200 Cb 0.48 -0.34 0.03 0.00 -2.33 0.00 0.00 43.42 41.26 1xwd n LEU 200 CO 0.25 0.94 0.83 -0.44 -1.33 0.00 0.00 177.39 177.64 1xwd s SER 201 N -2.67 5.20 0.00 -1.43 0.01 -1.12 -3.54 113.70 110.16 1xwd s SER 201 Ca 0.32 2.34 0.00 0.00 1.31 0.00 0.00 55.95 59.92 1xwd s SER 201 Cb 0.31 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.95 1xwd s SER 201 CO -0.06 -1.58 0.00 0.47 0.41 0.00 0.00 173.24 172.48 1xwd n ASP 202 N -1.65 -4.07 -4.18 2.44 8.00 -0.74 -0.88 116.55 115.47 1xwd n ASP 202 Ca 0.13 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.20 1xwd n ASP 202 Cb 0.50 -2.72 0.00 0.00 -0.02 0.00 0.00 41.12 38.89 1xwd n ASP 202 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1xwd n ASN 203 N -0.61 4.85 0.00 -2.24 3.02 -1.23 -4.38 115.26 114.67 1xwd n ASN 203 Ca 0.00 -2.97 0.03 0.00 -0.03 0.00 0.00 54.58 51.61 1xwd n ASN 203 Cb 0.30 -1.60 0.20 0.00 -0.61 0.00 0.00 39.78 38.07 1xwd n ASN 203 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1xwd n ASN 204 N 5.88 0.00 -0.72 6.41 2.04 -1.25 -1.66 115.26 125.96 1xwd n ASN 204 Ca 0.43 -1.40 0.08 0.00 -0.44 0.00 0.00 54.58 53.26 1xwd n ASN 204 Cb 0.41 0.00 0.10 0.00 -2.53 0.00 0.00 39.78 37.76 1xwd n ASN 204 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1xwd n ASN 205 N -0.63 2.58 -4.62 0.53 3.02 -1.26 -4.37 115.26 110.50 1xwd n ASN 205 Ca 0.05 -1.75 -0.42 0.00 -0.03 0.00 0.00 54.58 52.43 1xwd n ASN 205 Cb 0.02 -0.07 -0.04 0.00 -0.61 0.00 0.00 39.78 39.08 1xwd n ASN 205 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1xwd s LEU 206 N -1.30 4.06 0.00 3.41 2.96 -0.67 -4.70 118.68 122.44 1xwd s LEU 206 Ca 0.22 0.82 0.00 0.00 -0.22 0.00 0.00 54.13 54.95 1xwd s LEU 206 Cb 0.15 -3.18 0.00 0.00 0.50 0.00 0.00 46.19 43.65 1xwd s LEU 206 CO 0.21 -0.64 0.22 -1.84 -1.32 0.00 0.00 176.35 172.99 1xwd n GLU 207 N 6.27 2.20 -3.85 1.98 0.28 -1.26 -0.91 120.64 125.34 1xwd n GLU 207 Ca 0.06 -0.22 -0.12 0.00 -0.16 0.00 0.00 57.16 56.72 1xwd n GLU 207 Cb 0.48 -0.68 -0.11 0.00 1.43 0.00 0.00 31.44 32.56 1xwd n GLU 207 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1xwd s GLU 208 N -0.38 0.40 -0.19 3.44 2.02 -1.26 -4.00 118.70 118.74 1xwd s GLU 208 Ca 0.00 -0.21 -0.01 0.00 0.02 0.00 0.00 54.97 54.77 1xwd s GLU 208 Cb 0.00 0.17 0.01 0.00 0.10 0.00 0.00 34.13 34.41 1xwd s GLU 208 CO 0.00 -0.09 -0.13 -0.51 0.02 0.00 0.00 175.26 174.55 1xwd s LEU 209 N -0.96 2.47 0.22 1.80 1.43 -1.26 -4.65 118.68 117.73 1xwd s LEU 209 Ca -0.10 -0.52 -0.31 0.00 -1.03 0.00 0.00 54.13 52.17 1xwd s LEU 209 Cb -0.06 -1.59 -0.15 0.00 0.03 0.00 0.00 46.19 44.42 1xwd s LEU 209 CO 0.01 0.00 1.02 -2.65 0.23 0.00 0.00 176.35 174.97 1xwd n PRO 210 N 4.61 1.06 0.00 1.29 -0.02 -1.26 -4.68 135.00 135.99 1xwd n PRO 210 Ca -0.20 0.37 0.04 0.00 -2.02 0.00 0.00 63.50 61.69 1xwd n PRO 210 Cb 0.51 -1.76 0.21 0.00 -0.02 0.00 0.00 33.50 32.43 1xwd n PRO 210 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1xwd n ASN 211 N 1.70 0.00 -0.42 2.55 2.85 -1.26 -1.31 115.26 119.37 1xwd n ASN 211 Ca 0.13 -0.12 0.07 0.00 -0.11 0.00 0.00 54.58 54.56 1xwd n ASN 211 Cb 0.27 -0.08 0.16 0.00 1.24 0.00 0.00 39.78 41.37 1xwd n ASN 211 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1xwd n ASP 212 N -1.08 1.86 -0.11 1.20 8.00 -1.26 -4.72 116.55 120.43 1xwd n ASP 212 Ca 0.05 -3.38 -0.08 0.00 0.71 0.00 0.00 54.79 52.10 1xwd n ASP 212 Cb 0.03 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.68 1xwd n ASP 212 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 1xwd h VAL 213 N 1.18 1.05 -0.29 2.53 -1.51 -1.50 -0.40 116.25 117.31 1xwd h VAL 213 Ca -0.01 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 65.30 1xwd h VAL 213 Cb 1.07 0.55 0.00 0.00 -2.13 0.00 0.00 31.29 30.78 1xwd h VAL 213 CO 0.01 0.08 0.00 0.49 -1.23 0.00 0.00 177.57 176.92 1xwd n PHE 214 N -4.87 0.39 -1.69 5.19 3.72 -1.26 -3.40 117.46 115.54 1xwd n PHE 214 Ca 0.00 -0.19 -0.58 0.00 -0.05 0.00 0.00 57.45 56.63 1xwd n PHE 214 Cb 0.05 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.52 1xwd n PHE 214 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 1xwd n HIS 215 N 0.48 1.86 -2.66 1.38 -0.00 -1.03 -0.90 115.22 114.35 1xwd n HIS 215 Ca 0.14 0.66 -0.13 0.00 0.46 0.00 0.00 57.72 58.85 1xwd n HIS 215 Cb 0.32 -2.39 0.02 0.00 -0.12 0.00 0.00 29.99 27.82 1xwd n HIS 215 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1xwd n GLY 216 N 3.78 -0.02 3.13 1.57 0.00 -1.26 -3.64 105.19 108.74 1xwd n GLY 216 Ca 0.26 -0.26 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 1xwd n GLY 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xwd s ALA 217 N -2.88 0.95 -2.00 4.61 0.00 -0.08 -0.61 121.76 121.75 1xwd s ALA 217 Ca 0.16 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.23 1xwd s ALA 217 Cb -0.07 -0.05 0.06 0.00 0.00 0.00 0.00 23.12 23.05 1xwd s ALA 217 CO 0.20 0.10 0.30 0.43 0.00 0.00 0.00 175.76 176.80 1xwd n SER 218 N 1.39 0.00 -1.53 0.00 7.64 -0.68 -4.95 113.62 115.50 1xwd n SER 218 Ca -0.22 -0.39 0.00 0.00 1.01 0.00 0.00 58.87 59.27 1xwd n SER 218 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 1xwd n SER 218 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xwd n GLY 219 N -0.33 -3.39 3.71 0.23 0.00 -1.26 -4.52 105.19 99.63 1xwd n GLY 219 Ca 0.01 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 1xwd n GLY 219 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1xwd n PRO 220 N -1.15 2.13 -0.06 1.61 -0.02 -1.24 -4.40 135.00 131.87 1xwd n PRO 220 Ca 0.00 0.75 -0.21 0.00 -2.02 0.00 0.00 63.50 62.02 1xwd n PRO 220 Cb 0.06 -2.41 -0.12 0.00 -0.02 0.00 0.00 33.50 31.00 1xwd n PRO 220 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1xwd h VAL 221 N 2.41 0.92 -3.56 -1.45 2.07 -1.36 -3.12 116.25 112.16 1xwd h VAL 221 Ca -0.48 -2.26 -0.67 0.00 0.82 0.00 0.00 66.70 64.12 1xwd h VAL 221 Cb 1.28 2.42 -0.25 0.00 -1.52 0.00 0.00 31.29 33.23 1xwd h VAL 221 CO 0.62 0.52 -0.75 -0.63 0.02 0.00 0.00 177.57 177.34 1xwd s ILE 222 N -2.42 3.16 -0.09 4.57 1.01 -1.17 0.19 121.20 126.45 1xwd s ILE 222 Ca -0.25 -0.65 -0.00 0.00 0.00 0.00 0.00 60.65 59.75 1xwd s ILE 222 Cb 0.05 -2.30 0.02 0.00 0.01 0.00 0.00 42.46 40.25 1xwd s ILE 222 CO 0.66 0.55 -0.07 -0.22 0.00 0.00 0.00 174.94 175.87 1xwd s LEU 223 N -0.06 1.16 -0.37 2.97 2.96 -0.27 -2.07 118.68 123.00 1xwd s LEU 223 Ca -0.02 -0.24 -0.05 0.00 -0.22 0.00 0.00 54.13 53.60 1xwd s LEU 223 Cb -0.14 -0.73 0.07 0.00 0.50 0.00 0.00 46.19 45.90 1xwd s LEU 223 CO 0.04 -0.10 0.15 -0.62 -1.32 0.00 0.00 176.35 174.49 1xwd s ASP 224 N 1.52 5.27 -0.09 3.68 -1.08 0.12 -0.95 116.67 125.13 1xwd s ASP 224 Ca 0.00 -1.53 0.13 0.00 -0.52 0.00 0.00 52.55 50.63 1xwd s ASP 224 Cb -0.13 -1.85 0.26 0.00 -1.46 0.00 0.00 42.92 39.75 1xwd s ASP 224 CO -0.05 -0.43 1.17 2.30 0.52 0.00 0.00 175.17 178.69 1xwd n ILE 225 N 4.72 1.65 -1.51 4.11 -5.35 -0.03 0.05 119.36 123.01 1xwd n ILE 225 Ca -0.09 -1.75 -0.41 0.00 -0.27 0.00 0.00 62.75 60.23 1xwd n ILE 225 Cb 0.43 0.02 0.01 0.00 -1.74 0.00 0.00 39.64 38.36 1xwd n ILE 225 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1xwd n SER 226 N -0.83 -0.20 -4.12 7.28 2.88 -1.00 -2.78 113.62 114.84 1xwd n SER 226 Ca 0.13 0.93 -0.29 0.00 -1.33 0.00 0.00 58.87 58.30 1xwd n SER 226 Cb 0.57 -1.20 -0.06 0.00 -0.75 0.00 0.00 64.21 62.77 1xwd n SER 226 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1xwd n ARG 227 N 0.33 -2.06 -3.71 -1.46 1.74 -1.26 -1.78 116.66 108.45 1xwd n ARG 227 Ca 0.11 0.25 -0.20 0.00 -0.77 0.00 0.00 57.85 57.24 1xwd n ARG 227 Cb 0.40 -4.02 -0.05 0.00 -1.02 0.00 0.00 32.46 27.78 1xwd n ARG 227 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1xwd n THR 228 N -4.50 0.00 -0.37 0.55 -2.24 -1.12 -3.14 114.28 103.46 1xwd n THR 228 Ca -0.31 -1.58 0.08 0.00 -2.27 0.00 0.00 64.05 59.98 1xwd n THR 228 Cb 0.69 0.38 0.24 0.00 -2.10 0.00 0.00 70.33 69.54 1xwd n THR 228 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1xwd n ARG 229 N -0.77 2.96 -1.69 -0.78 1.74 -0.09 -4.99 116.66 113.04 1xwd n ARG 229 Ca -0.11 -2.42 -0.44 0.00 -0.77 0.00 0.00 57.85 54.10 1xwd n ARG 229 Cb 0.42 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.33 1xwd n ARG 229 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1xwd n ILE 230 N 0.86 0.06 -1.71 0.55 5.41 -1.12 -4.66 119.36 118.75 1xwd n ILE 230 Ca 0.18 -0.01 0.05 0.00 1.00 0.00 0.00 62.75 63.98 1xwd n ILE 230 Cb 0.59 -1.79 0.09 0.00 -0.71 0.00 0.00 39.64 37.83 1xwd n ILE 230 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1xwd n HIS 231 N 3.97 0.00 -3.62 1.39 8.25 -1.26 -5.05 115.22 118.90 1xwd n HIS 231 Ca 0.17 -0.74 -0.04 0.00 -0.26 0.00 0.00 57.72 56.85 1xwd n HIS 231 Cb 0.32 -0.14 -0.03 0.00 1.12 0.00 0.00 29.99 31.26 1xwd n HIS 231 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1xwd s SER 232 N -2.28 -0.09 0.21 0.41 1.04 -1.26 -5.18 113.70 106.55 1xwd s SER 232 Ca 0.25 0.04 0.11 0.00 0.48 0.00 0.00 55.95 56.83 1xwd s SER 232 Cb 0.24 0.09 -0.05 0.00 0.10 0.00 0.00 66.02 66.41 1xwd s SER 232 CO -0.04 -0.13 -0.22 -0.76 0.98 0.00 0.00 173.24 173.07 1xwd s LEU 233 N -1.76 2.48 0.60 2.42 1.43 -1.26 -4.70 118.68 117.89 1xwd s LEU 233 Ca 0.09 -0.91 -0.19 0.00 -1.03 0.00 0.00 54.13 52.09 1xwd s LEU 233 Cb -0.01 -1.08 -0.04 0.00 0.03 0.00 0.00 46.19 45.08 1xwd s LEU 233 CO -0.04 0.07 1.04 -2.65 0.23 0.00 0.00 176.35 174.99 1xwd n PRO 234 N 0.02 1.00 -0.11 1.29 -0.02 -1.26 -4.95 135.00 130.96 1xwd n PRO 234 Ca -0.11 0.38 -0.11 0.00 -2.02 0.00 0.00 63.50 61.65 1xwd n PRO 234 Cb 0.57 -2.24 0.02 0.00 -0.02 0.00 0.00 33.50 31.83 1xwd n PRO 234 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1xwd h SER 235 N 0.59 0.92 -1.74 2.55 4.64 -1.85 -3.45 113.55 115.21 1xwd h SER 235 Ca -0.49 -0.39 -0.55 0.00 -0.47 0.00 0.00 61.79 59.89 1xwd h SER 235 Cb 1.36 -0.26 -0.08 0.00 -0.31 0.00 0.00 62.40 63.11 1xwd h SER 235 CO 0.52 1.16 -0.52 -0.72 -0.87 0.00 0.00 176.83 176.39 1xwd s TYR 236 N -4.48 2.65 0.00 4.77 1.13 -1.26 -4.72 117.35 115.44 1xwd s TYR 236 Ca -0.10 -0.48 0.00 0.00 -1.41 0.00 0.00 57.07 55.08 1xwd s TYR 236 Cb 0.12 -1.79 0.00 0.00 -1.10 0.00 0.00 41.96 39.19 1xwd s TYR 236 CO 0.86 0.26 0.00 0.41 -2.51 0.00 0.00 175.55 174.57 1xwd n GLY 237 N -1.19 2.96 2.03 5.49 0.00 -1.26 -4.81 105.19 108.41 1xwd n GLY 237 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 1xwd n GLY 237 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xwd n LEU 238 N 0.00 6.12 0.21 0.99 4.77 -1.26 -4.18 117.00 123.65 1xwd n LEU 238 Ca 0.00 -3.22 0.15 0.00 -0.03 0.00 0.00 56.01 52.91 1xwd n LEU 238 Cb 0.00 -0.77 0.68 0.00 -2.33 0.00 0.00 43.42 41.00 1xwd n LEU 238 CO 0.00 0.87 0.94 1.05 -1.33 0.00 0.00 177.39 178.92 1xwd h GLU 239 N 1.86 0.00 -0.16 3.23 9.09 -1.88 -2.61 114.58 124.11 1xwd h GLU 239 Ca 0.39 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.80 1xwd h GLU 239 Cb 2.45 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.55 1xwd h GLU 239 CO 0.84 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.99 1xwd n ASN 240 N -2.58 2.30 -4.58 3.06 5.03 -1.26 -5.00 115.26 112.22 1xwd n ASN 240 Ca 0.00 -1.74 -0.49 0.00 0.87 0.00 0.00 54.58 53.22 1xwd n ASN 240 Cb 0.18 -0.10 -0.05 0.00 -1.02 0.00 0.00 39.78 38.78 1xwd n ASN 240 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 1xwd n LEU 241 N 0.35 2.84 -0.01 3.41 0.00 -0.99 -4.37 117.00 118.23 1xwd n LEU 241 Ca 0.07 0.62 0.05 0.00 0.00 0.00 0.00 56.01 56.75 1xwd n LEU 241 Cb 0.31 -1.35 -0.09 0.00 0.00 0.00 0.00 43.42 42.29 1xwd n LEU 241 CO 0.06 -0.46 -0.67 0.29 0.00 0.00 0.00 177.39 176.61 1xwd n LYS 242 N 7.56 0.61 -3.75 1.96 4.76 0.13 -4.87 118.16 124.56 1xwd n LYS 242 Ca 0.31 -0.10 -0.13 0.00 -2.87 0.00 0.00 58.31 55.53 1xwd n LYS 242 Cb 0.29 -1.29 -0.14 0.00 -1.84 0.00 0.00 35.03 32.05 1xwd n LYS 242 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1xwd s LYS 243 N -2.77 0.15 -0.18 1.97 2.20 -1.12 -4.44 119.74 115.56 1xwd s LYS 243 Ca -0.05 0.42 0.01 0.00 -0.36 0.00 0.00 55.97 56.00 1xwd s LYS 243 Cb 0.07 -0.13 0.03 0.00 -1.51 0.00 0.00 37.83 36.30 1xwd s LYS 243 CO 0.50 -0.15 -0.13 -1.17 -0.36 0.00 0.00 175.35 174.04 1xwd s LEU 244 N 1.10 2.05 -0.34 5.43 2.96 -1.17 -1.12 118.68 127.60 1xwd s LEU 244 Ca -0.08 -0.71 -0.15 0.00 -0.22 0.00 0.00 54.13 52.96 1xwd s LEU 244 Cb -0.10 -1.24 -0.01 0.00 0.50 0.00 0.00 46.19 45.34 1xwd s LEU 244 CO -0.06 -0.10 0.36 -0.13 -1.32 0.00 0.00 176.35 175.10 1xwd s ARG 245 N 1.42 3.55 0.00 1.98 0.52 -0.13 -1.83 118.95 124.46 1xwd s ARG 245 Ca 0.02 -0.42 0.00 0.00 -0.52 0.00 0.00 55.73 54.80 1xwd s ARG 245 Cb -0.15 -3.81 0.00 0.00 0.52 0.00 0.00 34.95 31.52 1xwd s ARG 245 CO -0.10 -0.53 0.00 0.00 0.02 0.00 0.00 175.30 174.70 1xwd n ALA 246 N 5.38 0.00 -0.00 2.13 0.00 -1.26 -0.85 120.51 125.91 1xwd n ALA 246 Ca -0.09 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.22 1xwd n ALA 246 Cb 0.49 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.80 1xwd n ALA 246 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1xwd h ARG 247 N 0.00 0.10 0.00 0.00 9.65 -1.92 -3.36 114.38 118.84 1xwd h ARG 247 Ca 0.00 -0.17 -0.18 0.00 -1.10 0.00 0.00 59.98 58.53 1xwd h ARG 247 Cb 0.00 0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 28.60 1xwd h ARG 247 CO 0.00 0.78 -0.15 0.43 2.80 0.00 0.00 179.97 183.83 1xwd n SER 248 N -3.22 1.09 -4.76 -3.80 7.64 -1.26 -5.11 113.62 104.20 1xwd n SER 248 Ca -0.20 -1.69 -0.31 0.00 1.01 0.00 0.00 58.87 57.68 1xwd n SER 248 Cb 1.04 0.32 -0.07 0.00 -1.01 0.00 0.00 64.21 64.50 1xwd n SER 248 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1xwd s THR 249 N -2.01 4.48 0.14 0.44 2.01 -1.26 -4.40 115.64 115.04 1xwd s THR 249 Ca 0.06 -0.78 0.06 0.00 0.31 0.00 0.00 61.69 61.34 1xwd s THR 249 Cb 0.00 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.32 1xwd s THR 249 CO 0.04 0.13 -0.13 -0.31 -0.69 0.00 0.00 174.62 173.67 1xwd s TYR 250 N -1.37 1.40 0.01 4.92 2.02 -0.76 -4.96 117.35 118.61 1xwd s TYR 250 Ca 0.29 -0.60 0.00 0.00 -0.37 0.00 0.00 57.07 56.38 1xwd s TYR 250 Cb -0.12 -0.72 0.00 0.00 -0.40 0.00 0.00 41.96 40.72 1xwd s TYR 250 CO 0.21 0.15 0.00 0.27 -1.57 0.00 0.00 175.55 174.62 1xwd n ASN 251 N 0.27 -0.12 -0.52 2.29 6.94 -1.26 -3.03 115.26 119.83 1xwd n ASN 251 Ca -0.13 0.04 0.09 0.00 -0.02 0.00 0.00 54.58 54.55 1xwd n ASN 251 Cb 0.58 0.40 0.21 0.00 -2.36 0.00 0.00 39.78 38.61 1xwd n ASN 251 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 1xwd n LEU 252 N -2.14 3.19 -0.50 -4.53 7.94 -1.26 -4.21 117.00 115.49 1xwd n LEU 252 Ca 0.00 -3.06 0.12 0.00 -1.11 0.00 0.00 56.01 51.96 1xwd n LEU 252 Cb 0.00 -0.49 0.17 0.00 0.53 0.00 0.00 43.42 43.63 1xwd n LEU 252 CO 0.00 0.70 0.51 0.29 -1.11 0.00 0.00 177.39 177.77 1xwd n LYS 253 N -0.94 1.32 -3.67 1.96 5.02 -1.26 -4.85 118.16 115.74 1xwd n LYS 253 Ca 0.19 -1.00 -0.08 0.00 -2.02 0.00 0.00 58.31 55.40 1xwd n LYS 253 Cb 0.78 -1.48 -0.09 0.00 -0.02 0.00 0.00 35.03 34.22 1xwd n LYS 253 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1xwd s LYS 254 N -2.37 0.52 -0.04 1.97 1.02 -1.26 -5.04 119.74 114.54 1xwd s LYS 254 Ca 0.23 1.04 0.11 0.00 0.02 0.00 0.00 55.97 57.38 1xwd s LYS 254 Cb 0.19 0.16 -0.23 0.00 -0.52 0.00 0.00 37.83 37.43 1xwd s LYS 254 CO 0.49 -0.17 0.66 -0.07 -0.92 0.00 0.00 175.35 175.35 1xwd h LEU 255 N 7.29 0.03 -1.38 3.17 3.38 -1.89 -3.34 115.31 122.58 1xwd h LEU 255 Ca -0.30 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1xwd h LEU 255 Cb 1.18 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1xwd h LEU 255 CO 0.21 1.06 0.00 -2.65 0.09 0.00 0.00 178.44 177.14 1xwd n PRO 256 N -3.08 0.29 -0.29 1.13 -0.02 -1.26 -4.24 135.00 127.53 1xwd n PRO 256 Ca -0.17 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.30 1xwd n PRO 256 Cb 1.05 -1.22 -0.01 0.00 -0.02 0.00 0.00 33.50 33.30 1xwd n PRO 256 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1xwd n THR 257 N 0.55 1.10 -3.16 3.45 -1.04 -1.25 -2.31 114.28 111.61 1xwd n THR 257 Ca 0.00 -0.31 -0.23 0.00 -2.04 0.00 0.00 64.05 61.48 1xwd n THR 257 Cb 0.10 -1.30 -0.06 0.00 -1.82 0.00 0.00 70.33 67.24 1xwd n THR 257 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1xwd n LEU 258 N 1.82 -0.15 -0.46 -4.42 7.94 -1.26 -4.46 117.00 116.00 1xwd n LEU 258 Ca 0.02 -4.54 0.14 0.00 -1.11 0.00 0.00 56.01 50.52 1xwd n LEU 258 Cb 0.28 0.65 0.55 0.00 0.53 0.00 0.00 43.42 45.43 1xwd n LEU 258 CO 0.01 2.05 0.88 -0.62 -1.11 0.00 0.00 177.39 178.61