#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wup s LEU 4 N 0.00 4.52 0.49 1.04 1.02 -1.26 -5.03 118.68 119.46 1wup s LEU 4 Ca 0.00 1.45 -0.23 0.00 0.02 0.00 0.00 54.13 55.37 1wup s LEU 4 Cb 0.00 -3.19 -0.07 0.00 0.02 0.00 0.00 46.19 42.95 1wup s LEU 4 CO 0.00 0.20 1.23 -2.65 0.02 0.00 0.00 176.35 175.16 1wup n PRO 5 N 1.48 1.64 -2.33 1.29 -0.02 -1.26 -4.93 135.00 130.87 1wup n PRO 5 Ca -0.07 0.60 -0.39 0.00 -2.02 0.00 0.00 63.50 61.62 1wup n PRO 5 Cb 0.50 -2.39 -0.03 0.00 -0.02 0.00 0.00 33.50 31.56 1wup n PRO 5 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1wup s ASP 6 N -0.79 6.71 0.06 2.55 1.11 -1.26 -4.58 116.67 120.47 1wup s ASP 6 Ca 0.67 2.35 -0.34 0.00 0.18 0.00 0.00 52.55 55.40 1wup s ASP 6 Cb -0.46 -2.62 -0.14 0.00 1.07 0.00 0.00 42.92 40.77 1wup s ASP 6 CO 0.53 -0.54 1.65 -0.11 1.18 0.00 0.00 175.17 177.88 1wup n LEU 7 N 0.35 3.04 -4.67 1.23 0.00 -1.26 -4.94 117.00 110.75 1wup n LEU 7 Ca 0.03 1.05 -0.25 0.00 0.00 0.00 0.00 56.01 56.84 1wup n LEU 7 Cb 0.46 -1.38 -0.07 0.00 0.00 0.00 0.00 43.42 42.43 1wup n LEU 7 CO 0.52 -0.30 -0.32 -0.54 0.00 0.00 0.00 177.39 176.75 1wup s LYS 8 N 1.90 2.39 -0.26 1.96 1.02 -0.95 -4.94 119.74 120.86 1wup s LYS 8 Ca 0.84 -1.21 -0.03 0.00 0.02 0.00 0.00 55.97 55.59 1wup s LYS 8 Cb -0.72 -2.30 0.11 0.00 -0.52 0.00 0.00 37.83 34.39 1wup s LYS 8 CO 0.44 0.42 0.19 0.42 -0.92 0.00 0.00 175.35 175.90 1wup s ILE 9 N -1.95 -0.22 -0.16 2.17 1.01 -1.26 -0.50 121.20 120.29 1wup s ILE 9 Ca 0.29 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.44 1wup s ILE 9 Cb -0.08 -0.88 0.00 0.00 0.01 0.00 0.00 42.46 41.51 1wup s ILE 9 CO 0.19 -0.51 -0.15 -1.61 0.00 0.00 0.00 174.94 172.86 1wup s GLU 10 N 2.22 3.19 0.91 2.79 2.02 -1.22 -4.94 118.70 123.67 1wup s GLU 10 Ca 0.08 -0.76 -0.14 0.00 0.02 0.00 0.00 54.97 54.17 1wup s GLU 10 Cb -0.15 -2.64 -0.03 0.00 0.10 0.00 0.00 34.13 31.41 1wup s GLU 10 CO -0.28 -0.04 0.12 1.17 0.02 0.00 0.00 175.26 176.24 1wup n LYS 11 N 4.22 -0.12 0.00 1.61 4.81 -1.26 -1.82 118.16 125.60 1wup n LYS 11 Ca -0.19 -0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.25 1wup n LYS 11 Cb 0.51 -1.62 0.00 0.00 0.02 0.00 0.00 35.03 33.94 1wup n LYS 11 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1wup n LEU 12 N 0.12 1.01 -3.88 3.14 7.94 -0.37 -4.69 117.00 120.28 1wup n LEU 12 Ca 0.05 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.91 1wup n LEU 12 Cb 0.53 0.00 0.02 0.00 0.53 0.00 0.00 43.42 44.50 1wup n LEU 12 CO 0.51 0.17 0.79 -0.62 -1.11 0.00 0.00 177.39 177.13 1wup s ASP 13 N -3.09 0.01 0.00 1.96 -1.08 -1.02 -5.03 116.67 108.42 1wup s ASP 13 Ca 0.00 -0.73 0.00 0.00 -0.52 0.00 0.00 52.55 51.30 1wup s ASP 13 Cb 0.00 0.54 0.00 0.00 -1.46 0.00 0.00 42.92 42.00 1wup s ASP 13 CO 0.00 -1.07 0.00 1.21 0.52 0.00 0.00 175.17 175.83 1wup n GLU 14 N -0.69 0.00 -1.80 4.34 2.13 -1.26 -1.71 120.64 121.65 1wup n GLU 14 Ca -0.03 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.64 1wup n GLU 14 Cb 0.59 0.00 0.06 0.00 0.27 0.00 0.00 31.44 32.37 1wup n GLU 14 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1wup n GLY 15 N -0.75 5.50 2.88 8.31 0.00 -1.26 -4.99 105.19 114.88 1wup n GLY 15 Ca 0.00 -2.17 -0.14 0.00 0.00 0.00 0.00 46.02 43.71 1wup n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wup s VAL 16 N -4.10 -0.08 0.28 1.61 0.11 -0.69 0.39 120.40 117.92 1wup s VAL 16 Ca 0.45 0.22 0.10 0.00 -2.93 0.00 0.00 61.98 59.82 1wup s VAL 16 Cb 0.39 -0.22 -0.05 0.00 -1.53 0.00 0.00 36.38 34.98 1wup s VAL 16 CO 0.00 0.09 -0.06 -0.31 -3.33 0.00 0.00 175.10 171.50 1wup s TYR 17 N 1.32 2.56 -0.54 1.54 1.51 -0.67 -1.23 117.35 121.84 1wup s TYR 17 Ca -0.07 -0.28 -0.01 0.00 -1.01 0.00 0.00 57.07 55.69 1wup s TYR 17 Cb -0.12 -1.18 0.14 0.00 -0.11 0.00 0.00 41.96 40.69 1wup s TYR 17 CO -0.05 0.63 0.33 0.08 -1.11 0.00 0.00 175.55 175.43 1wup s VAL 18 N -2.40 3.34 0.41 0.71 1.01 -0.75 0.29 120.40 123.01 1wup s VAL 18 Ca 0.32 -2.79 -0.25 0.00 0.00 0.00 0.00 61.98 59.26 1wup s VAL 18 Cb -0.05 -3.24 -0.08 0.00 0.00 0.00 0.00 36.38 33.01 1wup s VAL 18 CO 0.18 -0.81 1.14 -1.38 0.00 0.00 0.00 175.10 174.24 1wup s HIS 19 N 0.22 3.07 -0.16 5.22 -3.43 -1.16 -3.36 115.29 115.69 1wup s HIS 19 Ca 0.15 1.57 -0.03 0.00 -0.80 0.00 0.00 55.06 55.95 1wup s HIS 19 Cb -0.22 -3.33 0.05 0.00 -1.43 0.00 0.00 32.58 27.65 1wup s HIS 19 CO -0.03 -1.21 0.04 0.99 -2.00 0.00 0.00 174.74 172.53 1wup s THR 20 N -1.49 0.35 0.40 -5.38 2.01 0.35 -0.13 115.64 111.75 1wup s THR 20 Ca 0.58 -0.32 0.07 0.00 0.31 0.00 0.00 61.69 62.33 1wup s THR 20 Cb -0.28 -0.82 0.00 0.00 0.01 0.00 0.00 72.50 71.41 1wup s THR 20 CO 0.35 -0.13 0.54 -0.94 -0.69 0.00 0.00 174.62 173.76 1wup s SER 21 N 1.95 5.75 -0.03 3.53 1.04 -0.82 -2.24 113.70 122.87 1wup s SER 21 Ca 0.01 -0.34 0.02 0.00 0.48 0.00 0.00 55.95 56.11 1wup s SER 21 Cb -0.16 -0.84 0.01 0.00 0.10 0.00 0.00 66.02 65.14 1wup s SER 21 CO -0.08 -0.66 -0.06 -0.36 0.98 0.00 0.00 173.24 173.06 1wup s PHE 22 N -2.30 0.76 -0.02 5.02 0.40 -1.26 0.12 117.98 120.69 1wup s PHE 22 Ca 0.52 -0.19 0.04 0.00 -0.60 0.00 0.00 56.93 56.69 1wup s PHE 22 Cb -0.10 -0.60 -0.00 0.00 0.51 0.00 0.00 43.02 42.83 1wup s PHE 22 CO 0.32 -0.12 -0.13 -2.00 0.70 0.00 0.00 175.22 173.99 1wup s GLU 23 N 0.48 1.17 -1.07 0.44 2.56 -1.02 -4.88 118.70 116.38 1wup s GLU 23 Ca -0.07 -0.45 -0.14 0.00 0.00 0.00 0.00 54.97 54.32 1wup s GLU 23 Cb -0.10 -1.09 -0.08 0.00 2.00 0.00 0.00 34.13 34.86 1wup s GLU 23 CO 0.00 0.23 2.18 0.39 -0.56 0.00 0.00 175.26 177.50 1wup n GLU 24 N 2.98 2.25 -2.58 4.30 1.02 -1.26 -2.78 120.64 124.58 1wup n GLU 24 Ca -0.16 -1.93 -0.41 0.00 -0.02 0.00 0.00 57.16 54.64 1wup n GLU 24 Cb 0.55 -2.84 -0.04 0.00 -0.02 0.00 0.00 31.44 29.09 1wup n GLU 24 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1wup s VAL 25 N 3.77 4.10 0.00 2.62 -7.23 -1.25 -4.95 120.40 117.47 1wup s VAL 25 Ca 0.52 1.75 0.00 0.00 -1.81 0.00 0.00 61.98 62.44 1wup s VAL 25 Cb 0.14 -4.12 0.00 0.00 0.56 0.00 0.00 36.38 32.95 1wup s VAL 25 CO 0.01 0.27 0.32 0.59 -0.31 0.00 0.00 175.10 175.98 1wup n ASN 26 N 2.67 0.00 0.00 4.85 4.13 -1.26 -3.50 115.26 122.15 1wup n ASN 26 Ca 0.03 0.32 0.00 0.00 1.68 0.00 0.00 54.58 56.61 1wup n ASN 26 Cb 0.47 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.71 1wup n ASN 26 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1wup n GLY 27 N 0.17 0.38 0.00 7.41 0.00 -1.26 0.91 105.19 112.80 1wup n GLY 27 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1wup n GLY 27 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1wup n TRP 28 N 0.00 0.00 -2.25 1.61 4.27 -1.26 -5.15 117.44 114.66 1wup n TRP 28 Ca 0.00 -0.09 0.00 0.00 -3.89 0.00 0.00 57.50 53.52 1wup n TRP 28 Cb 0.00 -0.01 0.00 0.00 -1.36 0.00 0.00 31.31 29.94 1wup n TRP 28 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1wup n GLY 29 N -0.09 -0.31 3.77 -1.67 0.00 0.26 -5.12 105.19 102.03 1wup n GLY 29 Ca 0.00 -1.52 -0.40 0.00 0.00 0.00 0.00 46.02 44.10 1wup n GLY 29 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wup s VAL 30 N -2.59 2.70 -0.11 1.61 1.01 -1.26 -3.84 120.40 117.92 1wup s VAL 30 Ca 0.00 0.67 -0.08 0.00 0.00 0.00 0.00 61.98 62.57 1wup s VAL 30 Cb 0.00 -3.41 0.04 0.00 0.00 0.00 0.00 36.38 33.01 1wup s VAL 30 CO 0.00 0.13 0.28 0.68 0.00 0.00 0.00 175.10 176.19 1wup s VAL 31 N -1.20 -0.02 -0.14 2.92 -7.23 -1.12 -4.99 120.40 108.62 1wup s VAL 31 Ca 0.52 0.07 -0.29 0.00 -1.81 0.00 0.00 61.98 60.47 1wup s VAL 31 Cb -0.39 -0.41 -0.01 0.00 0.56 0.00 0.00 36.38 36.14 1wup s VAL 31 CO 0.51 0.03 1.06 -2.84 -0.31 0.00 0.00 175.10 173.55 1wup s PRO 32 N 0.71 4.34 -0.24 4.82 0.02 -1.26 -2.42 135.00 140.97 1wup s PRO 32 Ca -0.05 1.44 -0.12 0.00 0.02 0.00 0.00 61.00 62.29 1wup s PRO 32 Cb -0.06 -3.59 -0.05 0.00 0.02 0.00 0.00 34.50 30.82 1wup s PRO 32 CO -0.04 -0.47 0.24 0.21 -0.33 0.00 0.00 177.00 176.61 1wup s LYS 33 N 2.55 4.06 -0.14 5.54 2.36 0.12 -4.25 119.74 129.99 1wup s LYS 33 Ca 0.48 -0.15 -0.15 0.00 -2.55 0.00 0.00 55.97 53.61 1wup s LYS 33 Cb -0.18 -3.58 -0.05 0.00 -1.05 0.00 0.00 37.83 32.98 1wup s LYS 33 CO 0.14 -0.05 0.35 -1.01 1.55 0.00 0.00 175.35 176.34 1wup s HIS 34 N 1.36 3.50 0.00 4.03 3.76 -0.20 -1.95 115.29 125.79 1wup s HIS 34 Ca 0.11 0.70 0.00 0.00 -0.15 0.00 0.00 55.06 55.72 1wup s HIS 34 Cb -0.14 -2.39 0.00 0.00 1.11 0.00 0.00 32.58 31.16 1wup s HIS 34 CO 0.07 0.26 0.00 0.41 -0.85 0.00 0.00 174.74 174.63 1wup n GLY 35 N 3.22 5.53 3.18 -2.22 0.00 0.81 -4.67 105.19 111.03 1wup n GLY 35 Ca -0.11 -2.00 -0.11 0.00 0.00 0.00 0.00 46.02 43.80 1wup n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wup s LEU 36 N 0.00 1.29 -0.34 0.99 1.43 -0.85 -2.98 118.68 118.22 1wup s LEU 36 Ca 0.00 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 1wup s LEU 36 Cb 0.00 0.96 0.11 0.00 0.03 0.00 0.00 46.19 47.29 1wup s LEU 36 CO 0.00 -0.48 0.12 -0.69 0.23 0.00 0.00 176.35 175.52 1wup s VAL 37 N -1.97 1.18 -0.25 -1.59 1.01 0.15 0.81 120.40 119.73 1wup s VAL 37 Ca -0.10 -1.75 -0.29 0.00 0.00 0.00 0.00 61.98 59.84 1wup s VAL 37 Cb -0.04 -1.87 0.01 0.00 0.00 0.00 0.00 36.38 34.48 1wup s VAL 37 CO -0.01 -0.71 1.11 -0.69 0.00 0.00 0.00 175.10 174.80 1wup s VAL 38 N 1.28 4.52 -0.09 2.92 1.01 0.15 -1.67 120.40 128.51 1wup s VAL 38 Ca 0.11 1.80 -0.20 0.00 0.00 0.00 0.00 61.98 63.69 1wup s VAL 38 Cb -0.19 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 31.87 1wup s VAL 38 CO -0.18 -0.29 0.57 -0.76 0.00 0.00 0.00 175.10 174.44 1wup s LEU 39 N 3.49 4.30 0.00 3.92 1.43 1.25 0.39 118.68 133.45 1wup s LEU 39 Ca 0.47 0.98 0.00 0.00 -1.03 0.00 0.00 54.13 54.55 1wup s LEU 39 Cb -0.15 -2.85 0.00 0.00 0.03 0.00 0.00 46.19 43.21 1wup s LEU 39 CO 0.12 -0.04 0.00 0.52 0.23 0.00 0.00 176.35 177.18 1wup n VAL 40 N 3.67 0.00 0.00 -1.59 0.31 0.18 -4.62 118.33 116.27 1wup n VAL 40 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1wup n VAL 40 Cb 0.51 -0.74 0.00 0.00 -0.91 0.00 0.00 33.84 32.71 1wup n VAL 40 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1wup n ASN 41 N -1.00 0.00 -0.56 4.52 3.02 -1.26 -4.84 115.26 115.14 1wup n ASN 41 Ca 0.00 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.63 1wup n ASN 41 Cb 0.00 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.22 1wup n ASN 41 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wup n ALA 42 N -3.00 2.64 -2.68 5.41 0.00 -1.26 -4.94 120.51 116.67 1wup n ALA 42 Ca 0.00 -0.60 -0.38 0.00 0.00 0.00 0.00 53.44 52.47 1wup n ALA 42 Cb 0.00 -0.53 -0.06 0.00 0.00 0.00 0.00 19.45 18.86 1wup n ALA 42 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1wup s GLU 43 N -1.45 4.27 -0.07 0.00 0.41 -1.26 -1.83 118.70 118.77 1wup s GLU 43 Ca 0.17 0.39 0.04 0.00 -0.41 0.00 0.00 54.97 55.16 1wup s GLU 43 Cb 0.13 -3.40 -0.02 0.00 -1.78 0.00 0.00 34.13 29.06 1wup s GLU 43 CO 0.24 0.25 -0.18 0.00 -0.49 0.00 0.00 175.26 175.08 1wup s ALA 44 N 0.33 2.45 -0.14 5.21 0.00 -0.98 0.50 121.76 129.12 1wup s ALA 44 Ca 0.24 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 51.24 1wup s ALA 44 Cb -0.15 -0.91 0.01 0.00 0.00 0.00 0.00 23.12 22.07 1wup s ALA 44 CO 0.10 0.42 -0.22 0.71 0.00 0.00 0.00 175.76 176.77 1wup s TYR 45 N -0.22 2.68 -0.35 0.00 1.51 0.16 -0.61 117.35 120.51 1wup s TYR 45 Ca -0.00 -1.38 -0.25 0.00 -1.01 0.00 0.00 57.07 54.43 1wup s TYR 45 Cb -0.13 -1.83 0.01 0.00 -0.11 0.00 0.00 41.96 39.90 1wup s TYR 45 CO 0.03 -0.64 0.86 -0.51 -1.11 0.00 0.00 175.55 174.19 1wup s LEU 46 N 0.87 4.05 -0.24 -1.29 1.43 -0.33 0.31 118.68 123.48 1wup s LEU 46 Ca -0.06 0.54 -0.17 0.00 -1.03 0.00 0.00 54.13 53.41 1wup s LEU 46 Cb -0.15 -3.16 -0.03 0.00 0.03 0.00 0.00 46.19 42.87 1wup s LEU 46 CO -0.03 -0.78 0.45 -0.63 0.23 0.00 0.00 176.35 175.59 1wup s ILE 47 N 3.27 5.14 0.54 -0.59 1.09 0.24 -0.91 121.20 129.98 1wup s ILE 47 Ca 0.35 0.77 0.00 0.00 -1.10 0.00 0.00 60.65 60.67 1wup s ILE 47 Cb -0.13 -3.77 0.00 0.00 -1.06 0.00 0.00 42.46 37.50 1wup s ILE 47 CO 0.17 0.16 0.00 0.47 -0.10 0.00 0.00 174.94 175.64 1wup n ASP 48 N 5.06 -8.33 -4.41 3.58 9.92 0.73 -2.01 116.55 121.10 1wup n ASP 48 Ca -0.06 1.49 -0.29 0.00 -0.53 0.00 0.00 54.79 55.40 1wup n ASP 48 Cb 0.50 -4.78 -0.13 0.00 -0.64 0.00 0.00 41.12 36.07 1wup n ASP 48 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1wup s THR 49 N -4.33 2.39 1.07 -3.53 -4.23 -1.05 -4.56 115.64 101.40 1wup s THR 49 Ca 0.00 -1.63 -0.19 0.00 -1.18 0.00 0.00 61.69 58.69 1wup s THR 49 Cb 0.00 -2.04 0.03 0.00 1.34 0.00 0.00 72.50 71.83 1wup s THR 49 CO 0.00 0.14 -0.25 -2.65 -0.54 0.00 0.00 174.62 171.33 1wup n PRO 50 N 1.04 -1.08 0.29 3.99 -0.02 -1.26 -3.54 135.00 134.42 1wup n PRO 50 Ca -0.17 -0.30 0.18 0.00 -2.02 0.00 0.00 63.50 61.19 1wup n PRO 50 Cb 0.53 -1.57 0.86 0.00 -0.02 0.00 0.00 33.50 33.30 1wup n PRO 50 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 1wup h PHE 51 N -1.77 0.00 -3.65 6.00 -1.00 -1.80 -2.78 116.94 111.93 1wup h PHE 51 Ca -0.49 0.00 -0.29 0.00 2.81 0.00 0.00 57.97 60.00 1wup h PHE 51 Cb 1.35 0.00 -0.15 0.00 3.61 0.00 0.00 35.95 40.77 1wup h PHE 51 CO 0.16 0.04 -0.68 0.95 -1.61 0.00 0.00 178.31 177.17 1wup s THR 52 N -3.95 0.82 0.07 -1.55 -4.23 -1.26 -4.36 115.64 101.17 1wup s THR 52 Ca -0.02 -1.99 -0.26 0.00 -1.18 0.00 0.00 61.69 58.23 1wup s THR 52 Cb 0.11 -1.99 -0.17 0.00 1.34 0.00 0.00 72.50 71.79 1wup s THR 52 CO 0.52 -0.60 1.63 0.00 -0.54 0.00 0.00 174.62 175.62 1wup h ALA 53 N 2.75 -0.32 -0.68 3.99 0.00 -1.88 0.36 119.26 123.48 1wup h ALA 53 Ca -0.36 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.51 1wup h ALA 53 Cb 1.19 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 19.02 1wup h ALA 53 CO 0.63 -0.65 -0.46 0.87 0.00 0.00 0.00 179.25 179.64 1wup h LYS 54 N -0.39 -0.08 -0.76 0.00 1.57 -1.97 1.96 116.57 116.92 1wup h LYS 54 Ca -0.03 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1wup h LYS 54 Cb 0.29 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.59 1wup h LYS 54 CO 0.05 -0.05 0.35 -0.44 -0.57 0.00 0.00 179.45 178.80 1wup h ASP 55 N -0.08 0.99 -0.44 0.86 3.45 -1.92 0.70 116.42 119.97 1wup h ASP 55 Ca 0.11 -0.12 -0.01 0.00 0.43 0.00 0.00 57.03 57.44 1wup h ASP 55 Cb 0.36 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 38.86 1wup h ASP 55 CO -0.68 0.84 0.25 0.74 -1.57 0.00 0.00 179.24 178.82 1wup h THR 56 N 1.08 1.16 -0.11 0.35 2.02 0.22 2.04 112.91 119.67 1wup h THR 56 Ca 0.26 -0.39 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 1wup h THR 56 Cb 0.13 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1wup h THR 56 CO -0.03 0.16 0.05 -0.08 0.37 0.00 0.00 175.52 175.99 1wup h GLU 57 N 0.58 0.16 0.21 6.66 4.57 0.37 1.02 114.58 128.16 1wup h GLU 57 Ca 0.16 -0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.32 1wup h GLU 57 Cb 0.04 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.57 1wup h GLU 57 CO -0.03 0.24 -0.34 0.87 -1.18 0.00 0.00 179.01 178.57 1wup h LYS 58 N 0.05 -0.61 -0.39 1.92 1.57 0.13 0.79 116.57 120.03 1wup h LYS 58 Ca 0.04 0.04 0.08 0.00 -1.87 0.00 0.00 60.65 58.94 1wup h LYS 58 Cb 0.13 0.14 -0.07 0.00 0.08 0.00 0.00 32.23 32.51 1wup h LYS 58 CO -0.00 -0.41 -0.10 1.25 -0.57 0.00 0.00 179.45 179.62 1wup h LEU 59 N -0.63 -0.36 0.42 2.94 5.85 0.37 0.73 115.31 124.63 1wup h LEU 59 Ca 0.01 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 1wup h LEU 59 Cb 0.62 0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.89 1wup h LEU 59 CO -0.15 -0.13 -0.25 0.58 -0.34 0.00 0.00 178.44 178.16 1wup h VAL 60 N -0.00 0.00 -0.56 1.05 2.07 0.19 -2.66 116.25 116.35 1wup h VAL 60 Ca 0.19 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.87 1wup h VAL 60 Cb 0.28 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 1wup h VAL 60 CO -0.40 0.00 0.53 0.74 0.02 0.00 0.00 177.57 178.46 1wup h THR 61 N -0.62 0.40 -0.90 2.57 2.02 0.75 0.61 112.91 117.74 1wup h THR 61 Ca -0.06 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 1wup h THR 61 Cb 0.49 0.59 -0.04 0.00 -1.74 0.00 0.00 68.15 67.45 1wup h THR 61 CO 0.07 0.00 0.51 -0.25 0.37 0.00 0.00 175.52 176.21 1wup h TRP 62 N 0.00 1.22 0.03 3.16 7.01 -0.49 -2.88 115.95 124.01 1wup h TRP 62 Ca 0.27 -0.02 -0.17 0.00 2.11 0.00 0.00 58.89 61.07 1wup h TRP 62 Cb 1.33 -0.39 -0.01 0.00 -2.10 0.00 0.00 29.16 27.98 1wup h TRP 62 CO 0.00 0.84 -0.90 0.74 -2.79 0.00 0.00 178.44 176.33 1wup h PHE 63 N 1.26 0.13 -0.95 2.65 -1.00 0.26 -3.27 116.94 116.02 1wup h PHE 63 Ca 0.32 -0.09 0.23 0.00 2.81 0.00 0.00 57.97 61.23 1wup h PHE 63 Cb 0.00 -0.01 -0.07 0.00 3.61 0.00 0.00 35.95 39.48 1wup h PHE 63 CO 0.01 1.35 0.63 0.28 -1.61 0.00 0.00 178.31 178.97 1wup h VAL 64 N -0.80 0.63 0.00 -0.55 2.07 -0.83 0.61 116.25 117.37 1wup h VAL 64 Ca -0.22 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1wup h VAL 64 Cb 1.34 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1wup h VAL 64 CO -0.07 0.07 0.00 -0.33 0.02 0.00 0.00 177.57 177.26 1wup h GLU 65 N 0.39 0.00 -0.85 1.57 5.08 -1.65 -2.83 114.58 116.30 1wup h GLU 65 Ca 0.51 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.59 1wup h GLU 65 Cb 1.30 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.38 1wup h GLU 65 CO -0.20 0.00 0.35 0.54 -1.00 0.00 0.00 179.01 178.70 1wup n ARG 66 N -2.79 3.12 -0.88 2.33 1.74 0.21 -4.88 116.66 115.50 1wup n ARG 66 Ca 0.03 -2.77 0.00 0.00 -0.77 0.00 0.00 57.85 54.34 1wup n ARG 66 Cb 0.42 -2.12 0.00 0.00 -1.02 0.00 0.00 32.46 29.74 1wup n ARG 66 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wup n GLY 67 N -0.35 0.75 3.58 -0.13 0.00 -1.07 -5.03 105.19 102.94 1wup n GLY 67 Ca 0.42 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.09 1wup n GLY 67 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wup s TYR 68 N -2.89 3.20 -0.27 1.61 2.02 -0.82 -4.94 117.35 115.26 1wup s TYR 68 Ca 0.00 -0.05 -0.18 0.00 -0.37 0.00 0.00 57.07 56.47 1wup s TYR 68 Cb 0.00 -2.15 -0.03 0.00 -0.40 0.00 0.00 41.96 39.39 1wup s TYR 68 CO 0.00 -0.01 0.50 -1.59 -1.57 0.00 0.00 175.55 172.88 1wup s LYS 69 N 0.82 4.05 -0.04 -0.62 -2.85 -0.76 -2.29 119.74 118.05 1wup s LYS 69 Ca 0.04 0.27 -0.30 0.00 -1.00 0.00 0.00 55.97 54.99 1wup s LYS 69 Cb -0.13 -3.66 -0.07 0.00 -2.06 0.00 0.00 37.83 31.91 1wup s LYS 69 CO 0.02 -0.36 1.82 0.42 0.10 0.00 0.00 175.35 177.36 1wup s ILE 70 N 2.29 3.32 -1.40 3.79 1.09 -1.26 -2.31 121.20 126.71 1wup s ILE 70 Ca 0.20 0.38 0.22 0.00 -1.10 0.00 0.00 60.65 60.36 1wup s ILE 70 Cb -0.16 -3.26 -0.12 0.00 -1.06 0.00 0.00 42.46 37.86 1wup s ILE 70 CO 0.09 -0.05 1.03 1.17 -0.10 0.00 0.00 174.94 177.07 1wup n LYS 71 N 7.46 0.47 0.00 2.79 3.00 0.21 -4.81 118.16 127.29 1wup n LYS 71 Ca 0.19 -0.38 0.00 0.00 -0.00 0.00 0.00 58.31 58.12 1wup n LYS 71 Cb 0.42 -1.49 0.00 0.00 0.00 0.00 0.00 35.03 33.96 1wup n LYS 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1wup n GLY 72 N 1.47 1.28 2.69 3.14 0.00 -1.24 -4.21 105.19 108.31 1wup n GLY 72 Ca 0.06 -0.95 -0.21 0.00 0.00 0.00 0.00 46.02 44.93 1wup n GLY 72 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wup s SER 73 N 0.00 2.21 0.06 1.61 1.04 -0.49 -1.18 113.70 116.94 1wup s SER 73 Ca 0.00 -1.00 -0.24 0.00 0.48 0.00 0.00 55.95 55.19 1wup s SER 73 Cb 0.00 0.24 -0.06 0.00 0.10 0.00 0.00 66.02 66.31 1wup s SER 73 CO 0.00 -0.39 0.73 -0.51 0.98 0.00 0.00 173.24 174.05 1wup s ILE 74 N 2.19 4.70 -0.10 -1.02 -1.16 -0.09 -1.62 121.20 124.11 1wup s ILE 74 Ca 0.10 1.56 -0.01 0.00 -0.51 0.00 0.00 60.65 61.79 1wup s ILE 74 Cb -0.15 -4.08 -0.03 0.00 0.61 0.00 0.00 42.46 38.81 1wup s ILE 74 CO -0.31 0.41 -0.05 -0.44 -2.81 0.00 0.00 174.94 171.74 1wup s SER 75 N -0.29 4.80 0.37 4.50 0.01 -0.44 0.26 113.70 122.92 1wup s SER 75 Ca 0.36 -0.04 0.20 0.00 1.31 0.00 0.00 55.95 57.79 1wup s SER 75 Cb -0.20 -1.46 0.43 0.00 0.21 0.00 0.00 66.02 65.00 1wup s SER 75 CO 0.22 0.29 1.62 0.77 0.41 0.00 0.00 173.24 176.55 1wup h SER 76 N 5.79 0.00 -4.98 2.44 4.64 -1.82 -3.42 113.55 116.20 1wup h SER 76 Ca -0.42 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 60.99 1wup h SER 76 Cb 1.18 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.17 1wup h SER 76 CO 0.57 0.30 0.38 -1.38 -0.87 0.00 0.00 176.83 175.82 1wup s HIS 77 N -3.25 -0.30 0.37 4.77 -3.43 -1.26 -0.01 115.29 112.17 1wup s HIS 77 Ca 0.03 0.04 0.39 0.00 -0.80 0.00 0.00 55.06 54.73 1wup s HIS 77 Cb 0.08 0.60 1.87 0.00 -1.43 0.00 0.00 32.58 33.70 1wup s HIS 77 CO 0.69 -0.82 2.17 0.27 -2.00 0.00 0.00 174.74 175.05 1wup h PHE 78 N 2.00 0.00 -3.85 0.38 -0.00 -1.92 -3.40 116.94 110.16 1wup h PHE 78 Ca -0.25 0.00 -0.55 0.00 -0.00 0.00 0.00 57.97 57.17 1wup h PHE 78 Cb 1.26 0.00 0.18 0.00 -0.00 0.00 0.00 35.95 37.39 1wup h PHE 78 CO 0.32 0.00 0.12 0.72 -0.00 0.00 0.00 178.31 179.47 1wup n HIS 79 N -3.10 0.71 -0.31 6.09 8.25 -1.26 -4.68 115.22 120.92 1wup n HIS 79 Ca -0.01 0.39 0.08 0.00 -0.26 0.00 0.00 57.72 57.92 1wup n HIS 79 Cb 0.20 -2.08 0.24 0.00 1.12 0.00 0.00 29.99 29.47 1wup n HIS 79 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 1wup h SER 80 N -0.44 0.61 -1.05 0.41 0.02 -1.94 -2.38 113.55 108.78 1wup h SER 80 Ca -0.47 0.09 0.31 0.00 -0.84 0.00 0.00 61.79 60.87 1wup h SER 80 Cb 1.32 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.80 1wup h SER 80 CO 0.46 0.26 1.06 -0.62 -1.14 0.00 0.00 176.83 176.86 1wup n GLU 81 N -4.82 0.01 0.00 3.45 1.02 -1.26 -0.44 120.64 118.59 1wup n GLU 81 Ca 0.18 0.86 0.00 0.00 -0.02 0.00 0.00 57.16 58.18 1wup n GLU 81 Cb 0.44 -2.11 0.00 0.00 -0.02 0.00 0.00 31.44 29.75 1wup n GLU 81 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1wup n SER 82 N -3.07 0.19 0.00 1.62 7.64 -0.92 -4.37 113.62 114.70 1wup n SER 82 Ca 0.24 -1.08 0.00 0.00 1.01 0.00 0.00 58.87 59.04 1wup n SER 82 Cb 1.38 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.58 1wup n SER 82 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1wup n THR 83 N -0.04 0.00 -0.34 0.44 -2.24 -0.07 -2.54 114.28 109.49 1wup n THR 83 Ca 0.00 -0.35 0.08 0.00 -2.27 0.00 0.00 64.05 61.51 1wup n THR 83 Cb 0.38 1.04 0.18 0.00 -2.10 0.00 0.00 70.33 69.83 1wup n THR 83 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wup n GLY 84 N 0.62 -1.53 0.95 3.38 0.00 0.41 -0.56 105.19 108.45 1wup n GLY 84 Ca 0.00 1.01 0.07 0.00 0.00 0.00 0.00 46.02 47.10 1wup n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wup n GLY 85 N -1.57 1.39 0.07 -0.02 0.00 -1.06 -4.28 105.19 99.72 1wup n GLY 85 Ca 0.18 -0.53 -0.12 0.00 0.00 0.00 0.00 46.02 45.55 1wup n GLY 85 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1wup h ILE 86 N 2.79 1.16 0.02 -0.61 2.04 -1.16 -1.42 117.51 120.33 1wup h ILE 86 Ca 0.00 -0.48 0.01 0.00 1.00 0.00 0.00 64.86 65.39 1wup h ILE 86 Cb 0.73 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 38.17 1wup h ILE 86 CO 0.04 0.13 -0.25 -0.08 0.00 0.00 0.00 178.15 177.99 1wup h GLU 87 N -0.09 -0.32 -0.20 2.37 4.81 -1.75 0.51 114.58 119.91 1wup h GLU 87 Ca 0.02 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.30 1wup h GLU 87 Cb 0.20 0.07 -0.07 0.00 0.63 0.00 0.00 28.75 29.59 1wup h GLU 87 CO -0.00 -0.21 -0.51 2.35 -0.73 0.00 0.00 179.01 179.90 1wup h TRP 88 N -0.33 -1.55 -0.89 0.92 7.01 -1.82 0.18 115.95 119.47 1wup h TRP 88 Ca 0.00 0.06 0.26 0.00 2.11 0.00 0.00 58.89 61.32 1wup h TRP 88 Cb 0.35 0.70 -0.04 0.00 -2.10 0.00 0.00 29.16 28.07 1wup h TRP 88 CO -0.41 -0.50 0.86 -0.07 -2.79 0.00 0.00 178.44 175.53 1wup h LEU 89 N -0.49 0.00 -0.10 0.65 3.38 -1.02 0.42 115.31 118.15 1wup h LEU 89 Ca 0.04 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 1wup h LEU 89 Cb 0.61 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.37 1wup h LEU 89 CO -0.45 0.00 -0.44 0.78 0.09 0.00 0.00 178.44 178.41 1wup h ASN 90 N 0.00 0.56 -0.70 -0.43 -0.26 0.17 -1.20 115.58 113.72 1wup h ASN 90 Ca 0.42 -0.64 0.05 0.00 -0.56 0.00 0.00 56.30 55.58 1wup h ASN 90 Cb 2.14 -0.17 -0.04 0.00 -1.06 0.00 0.00 38.32 39.20 1wup h ASN 90 CO -0.00 1.10 0.46 0.77 -1.06 0.00 0.00 177.43 178.70 1wup h SER 91 N 0.06 0.66 0.00 5.81 4.64 0.22 0.18 113.55 125.12 1wup h SER 91 Ca -0.03 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1wup h SER 91 Cb 1.08 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1wup h SER 91 CO 0.09 0.44 0.00 0.54 -0.87 0.00 0.00 176.83 177.03 1wup n ARG 92 N -4.47 0.98 -3.81 4.77 5.12 -0.98 -4.86 116.66 113.41 1wup n ARG 92 Ca 0.10 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.72 1wup n ARG 92 Cb 0.19 -1.09 0.02 0.00 -1.16 0.00 0.00 32.46 30.42 1wup n ARG 92 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1wup n SER 93 N -0.41 -4.57 -4.80 0.55 7.64 0.64 -4.96 113.62 107.72 1wup n SER 93 Ca 0.00 -0.71 -0.36 0.00 1.01 0.00 0.00 58.87 58.81 1wup n SER 93 Cb 0.05 -3.67 -0.07 0.00 -1.01 0.00 0.00 64.21 59.50 1wup n SER 93 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1wup s ILE 94 N -3.22 5.44 -0.03 0.44 1.01 -0.46 -5.04 121.20 119.34 1wup s ILE 94 Ca 0.61 0.19 -0.34 0.00 0.00 0.00 0.00 60.65 61.12 1wup s ILE 94 Cb -0.31 -3.43 -0.12 0.00 0.01 0.00 0.00 42.46 38.61 1wup s ILE 94 CO 0.76 0.52 1.84 -2.65 0.00 0.00 0.00 174.94 175.41 1wup n PRO 95 N 2.80 2.25 -4.33 2.79 -0.02 -1.26 -4.49 135.00 132.75 1wup n PRO 95 Ca -0.18 0.82 -0.34 0.00 -2.02 0.00 0.00 63.50 61.79 1wup n PRO 95 Cb 0.53 -2.67 -0.15 0.00 -0.02 0.00 0.00 33.50 31.20 1wup n PRO 95 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1wup s THR 96 N 3.51 2.73 -0.09 3.45 -4.23 -1.26 -1.40 115.64 118.35 1wup s THR 96 Ca 0.90 -0.73 0.01 0.00 -1.18 0.00 0.00 61.69 60.68 1wup s THR 96 Cb -0.66 -2.18 -0.02 0.00 1.34 0.00 0.00 72.50 70.98 1wup s THR 96 CO 0.48 0.50 -0.12 -0.31 -0.54 0.00 0.00 174.62 174.63 1wup s TYR 97 N 1.02 2.81 -0.07 3.99 1.51 -0.64 0.03 117.35 126.01 1wup s TYR 97 Ca -0.01 -0.31 -0.16 0.00 -1.01 0.00 0.00 57.07 55.58 1wup s TYR 97 Cb -0.15 -1.75 0.03 0.00 -0.11 0.00 0.00 41.96 39.99 1wup s TYR 97 CO -0.03 0.05 0.37 0.00 -1.11 0.00 0.00 175.55 174.83 1wup s ALA 98 N -0.26 -0.93 0.55 3.71 0.00 -0.88 -1.32 121.76 122.62 1wup s ALA 98 Ca 0.02 0.69 -0.19 0.00 0.00 0.00 0.00 51.96 52.48 1wup s ALA 98 Cb -0.13 -0.20 -0.06 0.00 0.00 0.00 0.00 23.12 22.74 1wup s ALA 98 CO 0.03 -0.24 1.10 -1.54 0.00 0.00 0.00 175.76 175.11 1wup s SER 99 N -0.74 5.79 0.24 0.00 1.04 -1.26 -3.47 113.70 115.30 1wup s SER 99 Ca -0.08 2.09 -0.11 0.00 0.48 0.00 0.00 55.95 58.32 1wup s SER 99 Cb -0.04 -2.57 0.34 0.00 0.10 0.00 0.00 66.02 63.85 1wup s SER 99 CO 0.03 -1.17 1.59 -0.33 0.98 0.00 0.00 173.24 174.34 1wup h GLU 100 N 1.11 -0.00 -0.71 4.02 5.08 -1.65 0.16 114.58 122.59 1wup h GLU 100 Ca -0.49 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.01 1wup h GLU 100 Cb 1.25 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.40 1wup h GLU 100 CO 0.57 -0.00 0.17 -0.07 -1.00 0.00 0.00 179.01 178.67 1wup h LEU 101 N -0.01 0.01 -0.02 1.33 -0.00 -1.91 1.22 115.31 115.94 1wup h LEU 101 Ca 0.39 0.14 -0.09 0.00 -0.00 0.00 0.00 57.88 58.32 1wup h LEU 101 Cb 0.60 0.19 0.01 0.00 -0.00 0.00 0.00 40.66 41.45 1wup h LEU 101 CO -0.85 -0.02 -0.33 0.71 -0.00 0.00 0.00 178.44 177.95 1wup h THR 102 N 0.27 1.48 -1.01 0.22 1.35 -1.11 -0.99 112.91 113.14 1wup h THR 102 Ca 0.39 -1.89 0.11 0.00 -0.55 0.00 0.00 66.41 64.47 1wup h THR 102 Cb 0.65 2.59 -0.08 0.00 -1.73 0.00 0.00 68.15 69.58 1wup h THR 102 CO -0.48 0.53 0.64 0.78 -0.25 0.00 0.00 175.52 176.73 1wup h ASN 103 N -0.32 0.95 -0.37 5.36 2.35 -0.13 0.77 115.58 124.18 1wup h ASN 103 Ca -0.04 0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.71 1wup h ASN 103 Cb 1.05 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.25 1wup h ASN 103 CO 0.07 0.52 0.03 -0.08 -1.65 0.00 0.00 177.43 176.32 1wup h GLU 104 N 1.02 0.64 0.00 0.81 4.22 0.15 -0.11 114.58 121.32 1wup h GLU 104 Ca 0.49 -0.19 -0.03 0.00 0.08 0.00 0.00 59.36 59.71 1wup h GLU 104 Cb 0.44 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1wup h GLU 104 CO -0.25 0.72 -0.17 -0.07 -2.18 0.00 0.00 179.01 177.06 1wup h LEU 105 N 0.47 0.00 0.01 1.64 3.38 0.76 0.00 115.31 121.57 1wup h LEU 105 Ca 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1wup h LEU 105 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1wup h LEU 105 CO 0.01 0.17 -0.00 -0.07 0.09 0.00 0.00 178.44 178.63 1wup h LEU 106 N 0.00 -0.01 -0.46 1.67 3.38 0.67 -1.34 115.31 119.21 1wup h LEU 106 Ca -0.00 -0.61 0.09 0.00 0.09 0.00 0.00 57.88 57.45 1wup h LEU 106 Cb 0.40 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.05 1wup h LEU 106 CO 0.02 0.78 -0.35 0.50 0.09 0.00 0.00 178.44 179.48 1wup h LYS 107 N -0.99 -0.23 -0.69 1.13 3.64 -0.84 1.63 116.57 120.22 1wup h LYS 107 Ca -0.00 0.02 0.15 0.00 -1.27 0.00 0.00 60.65 59.54 1wup h LYS 107 Cb 0.62 0.05 -0.12 0.00 -0.41 0.00 0.00 32.23 32.37 1wup h LYS 107 CO 0.00 -0.15 0.02 -0.22 -2.27 0.00 0.00 179.45 176.83 1wup h LYS 108 N -0.24 0.12 0.00 1.90 1.63 -1.09 0.51 116.57 119.40 1wup h LYS 108 Ca 0.18 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.98 1wup h LYS 108 Cb 0.55 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.15 1wup h LYS 108 CO -0.59 0.08 0.00 -3.47 -3.45 0.00 0.00 179.45 172.02 1wup n ASP 109 N -5.30 0.00 -0.22 4.20 4.64 0.29 -4.91 116.55 115.25 1wup n ASP 109 Ca 0.11 -0.13 -0.03 0.00 -1.38 0.00 0.00 54.79 53.37 1wup n ASP 109 Cb 0.42 -0.28 -0.01 0.00 -1.04 0.00 0.00 41.12 40.20 1wup n ASP 109 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1wup n GLY 110 N 1.16 0.52 3.89 0.27 0.00 0.48 -5.02 105.19 106.49 1wup n GLY 110 Ca 0.14 -0.93 -0.34 0.00 0.00 0.00 0.00 46.02 44.89 1wup n GLY 110 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wup s LYS 111 N -2.59 3.58 0.15 1.61 -0.14 -0.57 -4.98 119.74 116.80 1wup s LYS 111 Ca 0.00 -0.11 -0.33 0.00 -1.36 0.00 0.00 55.97 54.17 1wup s LYS 111 Cb 0.00 -3.03 -0.13 0.00 -1.68 0.00 0.00 37.83 32.99 1wup s LYS 111 CO 0.00 0.61 1.67 0.28 -0.76 0.00 0.00 175.35 177.15 1wup n VAL 112 N 0.82 0.10 -2.69 3.17 0.31 -1.26 -4.06 118.33 114.72 1wup n VAL 112 Ca -0.09 -0.02 -0.30 0.00 -0.01 0.00 0.00 64.34 63.93 1wup n VAL 112 Cb 0.52 -1.75 -0.02 0.00 -0.91 0.00 0.00 33.84 31.68 1wup n VAL 112 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1wup s GLN 113 N 1.48 3.71 0.18 5.55 -0.21 -1.26 -4.71 119.66 124.41 1wup s GLN 113 Ca 0.79 0.46 -0.31 0.00 0.02 0.00 0.00 55.36 56.32 1wup s GLN 113 Cb -0.61 -2.34 -0.09 0.00 1.00 0.00 0.00 33.01 30.96 1wup s GLN 113 CO 0.38 -0.14 1.42 0.00 -2.12 0.00 0.00 175.29 174.82 1wup s ALA 114 N -2.55 3.62 -2.00 6.09 0.00 -1.26 -4.88 121.76 120.78 1wup s ALA 114 Ca 0.51 1.23 0.08 0.00 0.00 0.00 0.00 51.96 53.78 1wup s ALA 114 Cb -0.10 -3.55 0.48 0.00 0.00 0.00 0.00 23.12 19.95 1wup s ALA 114 CO 0.37 -0.66 0.90 0.25 0.00 0.00 0.00 175.76 176.61 1wup n THR 115 N 3.15 0.00 -3.49 0.00 -2.24 -0.97 -4.38 114.28 106.34 1wup n THR 115 Ca 0.09 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.65 1wup n THR 115 Cb 0.41 -0.71 -0.13 0.00 -2.10 0.00 0.00 70.33 67.80 1wup n THR 115 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1wup s ASN 116 N -1.92 2.22 0.69 3.42 0.01 0.10 -4.88 114.94 114.59 1wup s ASN 116 Ca 0.12 -0.75 -0.01 0.00 -0.71 0.00 0.00 52.86 51.50 1wup s ASN 116 Cb 0.06 0.14 0.10 0.00 0.41 0.00 0.00 41.25 41.96 1wup s ASN 116 CO 0.09 -0.38 0.96 -0.44 -1.51 0.00 0.00 177.10 175.82 1wup s SER 117 N 2.25 4.53 -0.09 -1.22 0.01 -1.26 -2.08 113.70 115.85 1wup s SER 117 Ca 0.08 -0.20 -0.32 0.00 1.31 0.00 0.00 55.95 56.82 1wup s SER 117 Cb -0.15 -0.30 0.12 0.00 0.21 0.00 0.00 66.02 65.90 1wup s SER 117 CO -0.26 -1.72 1.16 0.72 0.41 0.00 0.00 173.24 173.55 1wup s PHE 118 N -3.10 -0.14 0.21 2.43 -0.12 -1.23 -4.90 117.98 111.13 1wup s PHE 118 Ca 0.64 0.05 -0.16 0.00 -0.05 0.00 0.00 56.93 57.41 1wup s PHE 118 Cb -0.07 0.54 0.02 0.00 -0.63 0.00 0.00 43.02 42.87 1wup s PHE 118 CO 0.43 -0.32 0.51 -1.54 -0.05 0.00 0.00 175.22 174.25 1wup s SER 119 N -2.48 -0.19 0.00 1.98 1.04 -1.26 -1.54 113.70 111.26 1wup s SER 119 Ca 0.10 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 55.88 1wup s SER 119 Cb 0.00 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1wup s SER 119 CO -0.05 -1.09 0.00 0.61 0.98 0.00 0.00 173.24 173.69 1wup n GLY 120 N -0.35 3.29 0.30 7.32 0.00 -1.26 -4.79 105.19 109.70 1wup n GLY 120 Ca -0.07 -1.94 0.03 0.00 0.00 0.00 0.00 46.02 44.04 1wup n GLY 120 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1wup h VAL 121 N 0.17 1.13 -3.94 1.61 3.04 -1.92 -3.41 116.25 112.93 1wup h VAL 121 Ca 0.00 -0.36 -0.26 0.00 -1.01 0.00 0.00 66.70 65.08 1wup h VAL 121 Cb 0.00 0.61 -0.23 0.00 -2.01 0.00 0.00 31.29 29.66 1wup h VAL 121 CO 0.00 0.15 -0.73 0.54 -1.01 0.00 0.00 177.57 176.52 1wup s ASN 122 N -6.69 0.63 -0.15 3.17 2.20 -1.26 0.20 114.94 113.04 1wup s ASN 122 Ca -0.08 -0.42 -0.08 0.00 -0.94 0.00 0.00 52.86 51.34 1wup s ASN 122 Cb 0.17 0.03 0.05 0.00 -2.00 0.00 0.00 41.25 39.50 1wup s ASN 122 CO 0.74 -0.16 0.35 -0.47 -2.94 0.00 0.00 177.10 174.62 1wup s TYR 123 N -1.08 -0.51 -0.69 1.54 6.14 -0.53 -4.96 117.35 117.27 1wup s TYR 123 Ca -0.08 1.12 -0.21 0.00 0.64 0.00 0.00 57.07 58.53 1wup s TYR 123 Cb -0.08 0.19 0.09 0.00 0.42 0.00 0.00 41.96 42.58 1wup s TYR 123 CO -0.00 -0.31 0.94 -1.58 0.64 0.00 0.00 175.55 175.24 1wup s TRP 124 N 1.37 2.81 0.20 4.97 0.52 -1.26 -0.43 118.94 127.12 1wup s TRP 124 Ca -0.09 -0.76 -0.10 0.00 0.02 0.00 0.00 56.10 55.16 1wup s TRP 124 Cb -0.09 -4.24 0.22 0.00 -1.15 0.00 0.00 33.47 28.21 1wup s TRP 124 CO -0.11 -1.56 1.79 1.25 0.02 0.00 0.00 176.95 178.34 1wup h LEU 125 N 10.94 0.43 -8.06 2.99 5.85 -1.61 -3.37 115.31 122.47 1wup h LEU 125 Ca -0.22 0.04 -0.58 0.00 0.84 0.00 0.00 57.88 57.96 1wup h LEU 125 Cb 1.07 -0.04 -0.34 0.00 0.37 0.00 0.00 40.66 41.72 1wup h LEU 125 CO 1.15 0.28 -0.84 -0.69 -0.34 0.00 0.00 178.44 178.01 1wup s VAL 126 N -6.10 1.46 0.00 1.05 1.01 -1.21 -4.99 120.40 111.61 1wup s VAL 126 Ca -0.13 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.20 1wup s VAL 126 Cb 0.16 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 35.22 1wup s VAL 126 CO 0.75 0.43 0.00 0.29 0.00 0.00 0.00 175.10 176.57 1wup n LYS 127 N 3.90 0.00 -0.27 2.72 4.01 -1.26 -2.18 118.16 125.08 1wup n LYS 127 Ca -0.21 0.00 0.08 0.00 -0.51 0.00 0.00 58.31 57.68 1wup n LYS 127 Cb 0.52 0.00 0.15 0.00 -0.51 0.00 0.00 35.03 35.19 1wup n LYS 127 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1wup n ASN 128 N -1.05 2.02 -0.03 4.39 3.02 -1.26 -4.76 115.26 117.58 1wup n ASN 128 Ca 0.00 -3.22 -0.04 0.00 -0.03 0.00 0.00 54.58 51.29 1wup n ASN 128 Cb 0.00 -0.44 -0.02 0.00 -0.61 0.00 0.00 39.78 38.71 1wup n ASN 128 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1wup n LYS 129 N -1.23 0.13 -3.99 3.52 5.02 -0.93 -4.60 118.16 116.08 1wup n LYS 129 Ca 0.16 0.03 -0.30 0.00 -2.02 0.00 0.00 58.31 56.18 1wup n LYS 129 Cb 0.67 -1.10 -0.16 0.00 -0.02 0.00 0.00 35.03 34.41 1wup n LYS 129 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1wup s ILE 130 N -2.10 1.49 -0.11 -0.18 1.09 -0.96 -3.81 121.20 116.62 1wup s ILE 130 Ca -0.07 -0.67 0.01 0.00 -1.10 0.00 0.00 60.65 58.83 1wup s ILE 130 Cb 0.02 -1.46 -0.01 0.00 -1.06 0.00 0.00 42.46 39.94 1wup s ILE 130 CO 0.12 0.37 -0.16 -0.70 -0.10 0.00 0.00 174.94 174.47 1wup s GLU 131 N 1.50 3.15 -0.27 2.79 2.12 0.25 -1.40 118.70 126.85 1wup s GLU 131 Ca 0.03 -0.73 -0.07 0.00 0.36 0.00 0.00 54.97 54.56 1wup s GLU 131 Cb -0.14 -2.51 -0.01 0.00 0.26 0.00 0.00 34.13 31.73 1wup s GLU 131 CO -0.10 0.28 0.08 0.08 -0.54 0.00 0.00 175.26 175.06 1wup s VAL 132 N 0.15 4.22 -0.02 3.70 1.01 0.43 0.18 120.40 130.07 1wup s VAL 132 Ca -0.08 -0.37 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 1wup s VAL 132 Cb -0.15 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 1wup s VAL 132 CO 0.05 0.23 0.07 0.12 0.00 0.00 0.00 175.10 175.57 1wup s PHE 133 N 1.58 3.27 -0.43 5.22 5.36 0.13 -1.45 117.98 131.66 1wup s PHE 133 Ca 0.05 0.22 -0.07 0.00 -0.96 0.00 0.00 56.93 56.17 1wup s PHE 133 Cb -0.16 -1.75 0.10 0.00 -0.34 0.00 0.00 43.02 40.87 1wup s PHE 133 CO 0.03 0.54 0.26 -0.47 -1.46 0.00 0.00 175.22 174.13 1wup s TYR 134 N -1.13 3.46 -0.26 10.12 5.04 0.52 -1.77 117.35 133.32 1wup s TYR 134 Ca 0.21 -2.00 0.28 0.00 -2.44 0.00 0.00 57.07 53.12 1wup s TYR 134 Cb -0.12 -3.22 1.05 0.00 0.35 0.00 0.00 41.96 40.03 1wup s TYR 134 CO 0.11 -0.95 1.82 -1.00 -1.34 0.00 0.00 175.55 174.20 1wup h PRO 135 N 8.27 0.00 0.00 4.97 0.13 -1.84 -3.45 132.00 140.08 1wup h PRO 135 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1wup h PRO 135 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1wup h PRO 135 CO 0.76 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.94 1wup n GLY 136 N 0.28 2.38 3.38 1.56 0.00 -1.26 -4.42 105.19 107.10 1wup n GLY 136 Ca 0.02 -1.99 -0.38 0.00 0.00 0.00 0.00 46.02 43.67 1wup n GLY 136 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1wup n PRO 137 N 0.63 0.30 0.00 1.61 -0.02 -1.26 -4.85 135.00 131.40 1wup n PRO 137 Ca 0.00 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1wup n PRO 137 Cb 0.00 -1.44 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 1wup n PRO 137 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wup n GLY 138 N 2.07 -1.11 0.33 -1.23 0.00 -1.26 -3.74 105.19 100.26 1wup n GLY 138 Ca 0.10 0.69 0.08 0.00 0.00 0.00 0.00 46.02 46.89 1wup n GLY 138 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1wup h HIS 139 N 0.00 0.46 -3.43 1.61 -0.00 -1.85 1.12 115.15 113.06 1wup h HIS 139 Ca 0.00 0.01 -0.08 0.00 -0.00 0.00 0.00 60.37 60.30 1wup h HIS 139 Cb 0.00 -0.15 -0.15 0.00 -0.00 0.00 0.00 27.41 27.11 1wup h HIS 139 CO 0.00 0.26 -0.22 0.99 -0.00 0.00 0.00 177.93 178.95 1wup s THR 140 N -5.43 0.09 0.43 6.26 2.01 -1.20 -2.57 115.64 115.23 1wup s THR 140 Ca -0.08 -0.75 0.10 0.00 0.31 0.00 0.00 61.69 61.27 1wup s THR 140 Cb 0.19 -1.09 0.28 0.00 0.01 0.00 0.00 72.50 71.89 1wup s THR 140 CO 0.74 -0.42 2.05 -0.65 -0.69 0.00 0.00 174.62 175.65 1wup h PRO 141 N 2.87 0.42 0.00 4.92 0.11 -1.83 -3.18 132.00 135.31 1wup h PRO 141 Ca -0.33 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1wup h PRO 141 Cb 1.21 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1wup h PRO 141 CO 0.48 0.28 -1.11 -0.40 -0.21 0.00 0.00 178.00 177.04 1wup n ASP 142 N -4.48 0.91 -3.22 -2.05 3.85 -1.26 -4.18 116.55 106.11 1wup n ASP 142 Ca 0.04 -0.58 -0.35 0.00 -0.71 0.00 0.00 54.79 53.20 1wup n ASP 142 Cb 0.15 1.27 -0.02 0.00 -1.35 0.00 0.00 41.12 41.16 1wup n ASP 142 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.20 175.73 1wup n ASN 143 N -1.63 -1.00 -3.81 -1.12 2.04 -1.20 -4.76 115.26 103.78 1wup n ASN 143 Ca 0.01 0.81 -0.13 0.00 -0.44 0.00 0.00 54.58 54.84 1wup n ASN 143 Cb 0.32 -0.69 -0.12 0.00 -2.53 0.00 0.00 39.78 36.75 1wup n ASN 143 CO 0.00 0.00 0.00 0.68 -0.44 0.00 0.00 177.26 177.50 1wup s VAL 144 N -0.77 0.00 0.49 3.53 -7.23 0.98 -4.44 120.40 112.97 1wup s VAL 144 Ca 0.47 -0.03 -0.03 0.00 -1.81 0.00 0.00 61.98 60.58 1wup s VAL 144 Cb -0.67 -0.29 -0.01 0.00 0.56 0.00 0.00 36.38 35.97 1wup s VAL 144 CO 0.41 -0.02 0.76 0.54 -0.31 0.00 0.00 175.10 176.48 1wup s VAL 145 N 0.04 4.14 -0.12 1.32 0.11 -0.73 -4.55 120.40 120.61 1wup s VAL 145 Ca -0.01 -0.20 -0.01 0.00 -2.93 0.00 0.00 61.98 58.83 1wup s VAL 145 Cb -0.02 -3.57 0.03 0.00 -1.53 0.00 0.00 36.38 31.30 1wup s VAL 145 CO 0.00 -0.49 -0.03 -0.69 -3.33 0.00 0.00 175.10 170.56 1wup s VAL 146 N -2.71 0.79 -0.17 2.04 1.01 0.18 -0.69 120.40 120.84 1wup s VAL 146 Ca 0.49 -0.27 -0.21 0.00 0.00 0.00 0.00 61.98 62.00 1wup s VAL 146 Cb -0.10 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 1wup s VAL 146 CO 0.41 0.21 0.61 0.86 0.00 0.00 0.00 175.10 177.20 1wup s TRP 147 N 1.79 3.41 -0.70 5.22 -0.00 0.47 -0.55 118.94 128.58 1wup s TRP 147 Ca 0.03 0.94 -0.04 0.00 -0.00 0.00 0.00 56.10 57.04 1wup s TRP 147 Cb -0.14 -2.76 0.18 0.00 -0.00 0.00 0.00 33.47 30.76 1wup s TRP 147 CO -0.07 -0.10 0.54 -0.51 -0.00 0.00 0.00 176.95 176.81 1wup s LEU 148 N 1.60 5.47 0.24 5.86 1.43 0.12 -0.58 118.68 132.82 1wup s LEU 148 Ca 0.29 -3.00 -0.11 0.00 -1.03 0.00 0.00 54.13 50.28 1wup s LEU 148 Cb -0.16 -1.91 0.33 0.00 0.03 0.00 0.00 46.19 44.48 1wup s LEU 148 CO 0.11 -0.36 1.60 -0.65 0.23 0.00 0.00 176.35 177.28 1wup h PRO 149 N 6.92 -0.00 0.41 1.29 0.11 -1.80 0.16 132.00 139.09 1wup h PRO 149 Ca 0.03 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.13 1wup h PRO 149 Cb 0.94 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.03 1wup h PRO 149 CO 0.74 -0.00 -0.34 1.05 -0.21 0.00 0.00 178.00 179.23 1wup h GLU 150 N -0.00 -0.73 -0.00 1.05 4.11 -1.83 -3.03 114.58 114.15 1wup h GLU 150 Ca 0.38 0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.85 1wup h GLU 150 Cb 0.58 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1wup h GLU 150 CO -0.81 -0.48 -0.14 0.54 0.07 0.00 0.00 179.01 178.18 1wup n ARG 151 N -5.46 0.59 -1.44 1.06 5.12 -1.06 -4.89 116.66 110.58 1wup n ARG 151 Ca -0.10 -0.21 -0.15 0.00 -1.93 0.00 0.00 57.85 55.45 1wup n ARG 151 Cb 0.36 -1.50 -0.06 0.00 -1.16 0.00 0.00 32.46 30.10 1wup n ARG 151 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1wup n LYS 152 N -1.02 -1.13 -3.27 5.56 4.01 0.50 -4.72 118.16 118.09 1wup n LYS 152 Ca 0.13 1.02 -0.39 0.00 -0.51 0.00 0.00 58.31 58.56 1wup n LYS 152 Cb 0.29 -5.19 -0.06 0.00 -0.51 0.00 0.00 35.03 29.56 1wup n LYS 152 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1wup s ILE 153 N -2.51 4.87 -0.19 -0.18 1.01 -0.86 0.19 121.20 123.54 1wup s ILE 153 Ca 0.00 1.17 0.00 0.00 0.00 0.00 0.00 60.65 61.83 1wup s ILE 153 Cb 0.00 -3.89 0.05 0.00 0.01 0.00 0.00 42.46 38.63 1wup s ILE 153 CO 0.00 0.48 -0.07 -0.22 0.00 0.00 0.00 174.94 175.13 1wup s LEU 154 N -0.57 2.02 -0.25 2.97 0.20 0.68 0.13 118.68 123.85 1wup s LEU 154 Ca 0.29 -0.85 -0.22 0.00 0.69 0.00 0.00 54.13 54.04 1wup s LEU 154 Cb -0.18 -1.07 -0.01 0.00 -0.43 0.00 0.00 46.19 44.49 1wup s LEU 154 CO 0.17 -0.18 0.73 0.12 -0.29 0.00 0.00 176.35 176.90 1wup s PHE 155 N 1.51 3.29 -1.50 5.38 5.36 0.29 -0.73 117.98 131.57 1wup s PHE 155 Ca -0.01 0.97 0.15 0.00 -0.96 0.00 0.00 56.93 57.08 1wup s PHE 155 Cb -0.16 -2.96 0.34 0.00 -0.34 0.00 0.00 43.02 39.90 1wup s PHE 155 CO -0.08 -0.37 1.25 0.41 -1.46 0.00 0.00 175.22 174.97 1wup n GLY 156 N 3.97 1.91 7.00 13.12 0.00 -0.86 0.49 105.19 130.83 1wup n GLY 156 Ca 0.03 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1wup n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wup n GLY 157 N 0.91 2.61 0.34 -0.02 0.00 -1.11 -1.20 105.19 106.73 1wup n GLY 157 Ca 0.14 -0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.24 1wup n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wup h PHE 159 N 1.68 0.76 -3.56 0.00 3.04 -1.54 -3.41 116.94 113.92 1wup h PHE 159 Ca 0.00 -0.27 -0.58 0.00 3.98 0.00 0.00 57.97 61.10 1wup h PHE 159 Cb 0.39 -0.14 -0.08 0.00 2.56 0.00 0.00 35.95 38.67 1wup h PHE 159 CO 0.00 1.02 0.75 0.42 -2.02 0.00 0.00 178.31 178.48 1wup s ILE 160 N -4.01 4.42 -0.50 1.41 -1.09 -1.18 -4.75 121.20 115.51 1wup s ILE 160 Ca -0.08 1.22 0.06 0.00 -2.23 0.00 0.00 60.65 59.62 1wup s ILE 160 Cb 0.11 -4.46 0.20 0.00 -1.58 0.00 0.00 42.46 36.73 1wup s ILE 160 CO 0.85 -0.74 0.48 0.29 -1.23 0.00 0.00 174.94 174.59 1wup n LYS 161 N 7.22 1.00 -0.13 2.79 4.76 -1.26 -4.50 118.16 128.03 1wup n LYS 161 Ca 0.09 -3.68 0.14 0.00 -2.87 0.00 0.00 58.31 52.00 1wup n LYS 161 Cb 0.48 -1.77 0.51 0.00 -1.84 0.00 0.00 35.03 32.41 1wup n LYS 161 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 1wup h PRO 162 N 4.96 0.39 -0.36 1.97 0.11 -1.85 -2.99 132.00 134.24 1wup h PRO 162 Ca 0.18 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1wup h PRO 162 Cb 0.83 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1wup h PRO 162 CO 0.53 0.26 0.00 0.66 -0.21 0.00 0.00 178.00 179.24 1wup n TYR 163 N -4.47 0.47 0.00 0.65 0.53 -1.26 -4.70 117.16 108.38 1wup n TYR 163 Ca 0.13 -0.37 0.00 0.00 -1.02 0.00 0.00 57.90 56.64 1wup n TYR 163 Cb 0.47 -0.01 0.00 0.00 -1.03 0.00 0.00 39.34 38.77 1wup n TYR 163 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1wup n GLY 164 N 0.88 3.09 0.48 2.72 0.00 -1.13 -4.98 105.19 106.25 1wup n GLY 164 Ca 0.14 -0.17 0.37 0.00 0.00 0.00 0.00 46.02 46.36 1wup n GLY 164 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wup n LEU 165 N 0.00 0.07 0.00 0.99 4.77 -1.25 -4.85 117.00 116.73 1wup n LEU 165 Ca 0.00 0.89 0.00 0.00 -0.03 0.00 0.00 56.01 56.87 1wup n LEU 165 Cb 0.00 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 1wup n LEU 165 CO 0.00 -0.93 0.00 0.61 -1.33 0.00 0.00 177.39 175.74 1wup n GLY 166 N -1.59 0.53 3.67 -0.72 0.00 -1.26 -4.83 105.19 100.99 1wup n GLY 166 Ca 0.33 -0.90 -0.47 0.00 0.00 0.00 0.00 46.02 44.99 1wup n GLY 166 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wup n ASN 167 N 3.64 3.19 -0.00 1.61 5.15 -1.26 -4.87 115.26 122.72 1wup n ASN 167 Ca 0.00 1.05 0.07 0.00 -0.60 0.00 0.00 54.58 55.09 1wup n ASN 167 Cb 0.00 -1.40 -0.09 0.00 -0.53 0.00 0.00 39.78 37.76 1wup n ASN 167 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1wup n LEU 168 N 4.52 0.51 0.00 1.20 4.77 -1.26 -4.71 117.00 122.03 1wup n LEU 168 Ca 0.19 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 1wup n LEU 168 Cb 0.29 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1wup n LEU 168 CO 0.67 0.13 0.22 0.61 -1.33 0.00 0.00 177.39 177.69 1wup n GLY 169 N 1.41 -1.99 1.67 -0.72 0.00 -1.26 0.20 105.19 104.50 1wup n GLY 169 Ca 0.01 0.40 -0.13 0.00 0.00 0.00 0.00 46.02 46.30 1wup n GLY 169 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wup n ASP 170 N -1.75 3.54 -4.84 1.61 8.00 -1.26 -4.93 116.55 116.91 1wup n ASP 170 Ca 0.00 -2.88 -0.32 0.00 0.71 0.00 0.00 54.79 52.30 1wup n ASP 170 Cb 0.00 -0.70 -0.06 0.00 -0.02 0.00 0.00 41.12 40.35 1wup n ASP 170 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wup s ALA 171 N -1.79 3.77 -0.50 2.24 0.00 0.13 -3.24 121.76 122.38 1wup s ALA 171 Ca 0.31 -0.87 -0.09 0.00 0.00 0.00 0.00 51.96 51.31 1wup s ALA 171 Cb 0.26 -1.68 0.13 0.00 0.00 0.00 0.00 23.12 21.83 1wup s ALA 171 CO 0.06 0.75 0.37 1.21 0.00 0.00 0.00 175.76 178.15 1wup s ASN 172 N -2.12 5.71 0.12 0.00 3.84 0.39 -4.95 114.94 117.92 1wup s ASN 172 Ca 0.28 -2.03 -0.14 0.00 0.21 0.00 0.00 52.86 51.18 1wup s ASN 172 Cb -0.12 -2.00 -0.05 0.00 -0.55 0.00 0.00 41.25 38.53 1wup s ASN 172 CO 0.20 -0.66 1.50 -0.29 -2.79 0.00 0.00 177.10 175.06 1wup h ILE 173 N 6.01 1.28 -0.10 -5.21 2.10 -1.94 -1.58 117.51 118.07 1wup h ILE 173 Ca -0.18 -1.24 -0.07 0.00 1.08 0.00 0.00 64.86 64.45 1wup h ILE 173 Cb 1.06 1.33 -0.01 0.00 -1.09 0.00 0.00 36.82 38.11 1wup h ILE 173 CO 0.84 0.41 -0.24 -0.33 -1.08 0.00 0.00 178.15 177.75 1wup h GLU 174 N 0.52 0.17 0.00 2.19 3.07 -1.95 -2.95 114.58 115.63 1wup h GLU 174 Ca 0.08 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 1wup h GLU 174 Cb 0.67 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.56 1wup h GLU 174 CO 0.05 0.41 -0.94 0.00 -1.40 0.00 0.00 179.01 177.13 1wup n ALA 175 N -2.48 4.09 0.20 3.43 0.00 -1.22 -4.41 120.51 120.12 1wup n ALA 175 Ca -0.01 -0.50 -0.15 0.00 0.00 0.00 0.00 53.44 52.79 1wup n ALA 175 Cb 0.34 -0.89 -0.07 0.00 0.00 0.00 0.00 19.45 18.82 1wup n ALA 175 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 1wup h TRP 176 N 0.00 -0.77 -0.47 0.00 2.91 -1.10 0.14 115.95 116.66 1wup h TRP 176 Ca 0.00 0.00 0.09 0.00 1.13 0.00 0.00 58.89 60.12 1wup h TRP 176 Cb 0.57 0.30 -0.08 0.00 -0.51 0.00 0.00 29.16 29.44 1wup h TRP 176 CO 0.00 -0.42 -0.04 -1.35 -1.03 0.00 0.00 178.44 175.60 1wup h PRO 177 N -0.62 0.07 -0.59 2.65 0.11 -1.77 1.06 132.00 132.91 1wup h PRO 177 Ca -0.01 -0.00 0.12 0.00 0.11 0.00 0.00 66.00 66.21 1wup h PRO 177 Cb 0.56 -0.01 -0.10 0.00 0.11 0.00 0.00 31.00 31.55 1wup h PRO 177 CO -0.05 0.04 -0.03 0.87 -0.21 0.00 0.00 178.00 178.62 1wup h LYS 178 N 0.07 0.09 0.24 1.05 1.79 -1.64 0.34 116.57 118.50 1wup h LYS 178 Ca 0.23 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.69 1wup h LYS 178 Cb 0.35 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 1wup h LYS 178 CO -0.43 0.06 -0.11 0.77 -1.08 0.00 0.00 179.45 178.66 1wup h SER 179 N 0.09 -0.27 -1.39 0.86 0.02 0.21 0.13 113.55 113.20 1wup h SER 179 Ca 0.30 0.01 0.46 0.00 -0.84 0.00 0.00 61.79 61.72 1wup h SER 179 Cb 0.48 0.07 -0.13 0.00 0.14 0.00 0.00 62.40 62.96 1wup h SER 179 CO -0.52 -0.11 0.90 0.00 -1.14 0.00 0.00 176.83 175.96 1wup h ALA 180 N -1.68 2.85 -0.01 3.77 0.00 0.11 1.95 119.26 126.25 1wup h ALA 180 Ca -0.03 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1wup h ALA 180 Cb 0.24 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1wup h ALA 180 CO 0.05 -1.51 -0.01 -0.22 0.00 0.00 0.00 179.25 177.57 1wup h LYS 181 N 0.04 0.02 -0.54 0.00 3.64 -0.23 0.46 116.57 119.97 1wup h LYS 181 Ca 0.86 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 60.24 1wup h LYS 181 Cb 2.77 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 34.56 1wup h LYS 181 CO -0.42 0.51 0.35 1.25 -2.27 0.00 0.00 179.45 178.87 1wup h LEU 182 N -0.47 0.59 0.37 5.20 5.85 0.47 0.02 115.31 127.34 1wup h LEU 182 Ca 0.00 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1wup h LEU 182 Cb 0.51 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1wup h LEU 182 CO 0.00 0.42 -0.18 0.25 -0.34 0.00 0.00 178.44 178.60 1wup h LEU 183 N 0.70 -0.43 -1.43 2.25 5.85 0.90 0.14 115.31 123.30 1wup h LEU 183 Ca 0.20 -0.02 0.23 0.00 0.84 0.00 0.00 57.88 59.13 1wup h LEU 183 Cb -0.05 0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.01 1wup h LEU 183 CO -0.06 -0.26 0.63 0.50 -0.34 0.00 0.00 178.44 178.91 1wup h LYS 184 N -0.56 0.41 0.11 1.25 3.64 -0.69 0.16 116.57 120.90 1wup h LYS 184 Ca -0.05 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1wup h LYS 184 Cb 0.42 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1wup h LYS 184 CO 0.08 0.27 -0.05 0.77 -2.27 0.00 0.00 179.45 178.25 1wup h SER 185 N 0.42 -0.13 -0.40 4.20 0.02 0.43 -2.91 113.55 115.18 1wup h SER 185 Ca 0.53 -0.18 -0.05 0.00 -0.84 0.00 0.00 61.79 61.25 1wup h SER 185 Cb 1.30 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.86 1wup h SER 185 CO -0.23 0.11 0.04 0.50 -1.14 0.00 0.00 176.83 176.11 1wup h LYS 186 N -0.36 0.68 -1.58 3.45 1.63 0.19 -3.35 116.57 117.23 1wup h LYS 186 Ca -0.02 -0.20 -0.59 0.00 -0.85 0.00 0.00 60.65 59.00 1wup h LYS 186 Cb 0.30 -0.07 -0.42 0.00 -0.60 0.00 0.00 32.23 31.43 1wup h LYS 186 CO 0.02 0.74 -0.71 0.66 -3.45 0.00 0.00 179.45 176.72 1wup n TYR 187 N -4.49 3.46 0.19 1.91 0.53 0.07 -4.73 117.16 114.10 1wup n TYR 187 Ca -0.01 -3.18 0.06 0.00 -1.02 0.00 0.00 57.90 53.76 1wup n TYR 187 Cb 0.25 -0.12 0.34 0.00 -1.03 0.00 0.00 39.34 38.79 1wup n TYR 187 CO 0.00 0.00 0.00 0.78 -1.02 0.00 0.00 176.86 176.62 1wup h GLY 188 N 2.61 0.00 2.00 2.72 0.00 -1.66 -2.81 103.07 105.93 1wup h GLY 188 Ca 0.29 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.58 1wup h GLY 188 CO 0.85 0.00 -0.19 0.07 0.00 0.00 0.00 176.54 177.27 1wup h LYS 189 N 0.00 0.00 -5.03 4.80 2.10 -1.89 -3.45 116.57 113.11 1wup h LYS 189 Ca -0.00 0.00 -0.62 0.00 -2.00 0.00 0.00 60.65 58.02 1wup h LYS 189 Cb 0.89 0.00 0.06 0.00 -0.90 0.00 0.00 32.23 32.28 1wup h LYS 189 CO 0.05 0.19 -0.14 0.00 -2.00 0.00 0.00 179.45 177.55 1wup n ALA 190 N -2.34 -2.93 -0.05 0.07 0.00 -1.06 -4.89 120.51 109.30 1wup n ALA 190 Ca -0.02 0.45 -0.21 0.00 0.00 0.00 0.00 53.44 53.67 1wup n ALA 190 Cb 0.30 -1.43 -0.13 0.00 0.00 0.00 0.00 19.45 18.19 1wup n ALA 190 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1wup h LYS 191 N 1.88 0.11 -6.09 0.00 1.57 -0.54 -3.31 116.57 110.19 1wup h LYS 191 Ca -0.35 -0.18 -0.60 0.00 -1.87 0.00 0.00 60.65 57.64 1wup h LYS 191 Cb 1.20 0.07 -0.28 0.00 0.08 0.00 0.00 32.23 33.30 1wup h LYS 191 CO 0.52 1.09 -0.85 -0.51 -0.57 0.00 0.00 179.45 179.12 1wup s LEU 192 N -7.71 2.09 -0.15 2.94 1.43 -1.12 -4.02 118.68 112.13 1wup s LEU 192 Ca -0.24 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.44 1wup s LEU 192 Cb 0.05 -1.05 0.02 0.00 0.03 0.00 0.00 46.19 45.23 1wup s LEU 192 CO 0.68 0.23 -0.19 -0.69 0.23 0.00 0.00 176.35 176.61 1wup s VAL 193 N -0.60 1.87 -0.51 -1.59 1.01 0.08 -0.23 120.40 120.43 1wup s VAL 193 Ca 0.08 -0.84 -0.15 0.00 0.00 0.00 0.00 61.98 61.07 1wup s VAL 193 Cb -0.08 -1.69 0.11 0.00 0.00 0.00 0.00 36.38 34.71 1wup s VAL 193 CO 0.00 0.51 0.44 -0.69 0.00 0.00 0.00 175.10 175.36 1wup s VAL 194 N 1.17 5.10 0.73 2.92 1.01 0.09 -1.47 120.40 129.95 1wup s VAL 194 Ca 0.00 -1.36 -0.12 0.00 0.00 0.00 0.00 61.98 60.50 1wup s VAL 194 Cb -0.14 -4.19 0.03 0.00 0.00 0.00 0.00 36.38 32.08 1wup s VAL 194 CO -0.08 -0.74 1.09 -2.84 0.00 0.00 0.00 175.10 172.52 1wup s PRO 195 N 1.59 2.54 0.02 2.72 0.02 -1.26 -2.03 135.00 138.61 1wup s PRO 195 Ca 0.04 1.17 0.27 0.00 0.02 0.00 0.00 61.00 62.49 1wup s PRO 195 Cb -0.27 -1.93 1.14 0.00 0.02 0.00 0.00 34.50 33.45 1wup s PRO 195 CO 0.04 -1.42 1.87 0.45 -0.33 0.00 0.00 177.00 177.60 1wup n SER 196 N -3.17 0.08 0.00 2.53 2.88 0.23 -4.39 113.62 111.78 1wup n SER 196 Ca 0.09 0.51 0.00 0.00 -1.33 0.00 0.00 58.87 58.14 1wup n SER 196 Cb 0.53 -0.53 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1wup n SER 196 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1wup n HIS 197 N -1.58 0.00 -2.31 0.66 8.25 -1.26 -1.03 115.22 117.95 1wup n HIS 197 Ca 0.06 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.27 1wup n HIS 197 Cb 0.33 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.49 1wup n HIS 197 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1wup s SER 198 N -1.35 5.17 1.19 0.41 0.01 -1.26 -4.84 113.70 113.02 1wup s SER 198 Ca 0.00 0.53 -0.16 0.00 1.31 0.00 0.00 55.95 57.64 1wup s SER 198 Cb 0.00 -1.34 0.24 0.00 0.21 0.00 0.00 66.02 65.12 1wup s SER 198 CO 0.00 -1.35 0.61 -0.62 0.41 0.00 0.00 173.24 172.30 1wup n GLU 199 N -2.74 -2.40 -2.58 12.44 1.02 -1.26 -4.40 120.64 120.72 1wup n GLU 199 Ca 0.07 -0.68 -0.33 0.00 -0.02 0.00 0.00 57.16 56.20 1wup n GLU 199 Cb 0.59 -1.96 -0.05 0.00 -0.02 0.00 0.00 31.44 30.00 1wup n GLU 199 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1wup s VAL 200 N -2.31 4.26 0.00 2.62 1.01 -1.26 -4.34 120.40 120.38 1wup s VAL 200 Ca 0.64 1.29 0.00 0.00 0.00 0.00 0.00 61.98 63.90 1wup s VAL 200 Cb -0.20 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.60 1wup s VAL 200 CO 0.65 -0.42 0.00 0.61 0.00 0.00 0.00 175.10 175.94 1wup n GLY 201 N -0.85 4.20 0.87 4.51 0.00 -0.54 -4.98 105.19 108.40 1wup n GLY 201 Ca 0.07 -1.71 -0.05 0.00 0.00 0.00 0.00 46.02 44.33 1wup n GLY 201 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wup n ASP 202 N -2.45 1.05 -0.33 1.61 5.75 -1.26 -0.74 116.55 120.17 1wup n ASP 202 Ca 0.00 -1.40 0.25 0.00 -0.01 0.00 0.00 54.79 53.63 1wup n ASP 202 Cb 0.00 -0.04 0.48 0.00 -1.03 0.00 0.00 41.12 40.53 1wup n ASP 202 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1wup h ALA 203 N 0.61 1.92 -0.91 2.12 0.00 -1.70 0.96 119.26 122.26 1wup h ALA 203 Ca -0.07 0.23 0.26 0.00 0.00 0.00 0.00 54.91 55.32 1wup h ALA 203 Cb 0.29 0.25 -0.16 0.00 0.00 0.00 0.00 17.79 18.17 1wup h ALA 203 CO 0.11 -0.69 0.19 0.66 0.00 0.00 0.00 179.25 179.52 1wup h SER 204 N 0.19 -0.12 -1.21 0.00 4.64 -1.92 0.13 113.55 115.26 1wup h SER 204 Ca 0.75 0.22 0.39 0.00 -0.47 0.00 0.00 61.79 62.68 1wup h SER 204 Cb 1.78 0.33 -0.13 0.00 -0.31 0.00 0.00 62.40 64.08 1wup h SER 204 CO -0.68 -0.23 0.77 -0.07 -0.87 0.00 0.00 176.83 175.74 1wup h LEU 205 N 0.13 0.32 -0.79 5.97 3.38 -1.16 1.07 115.31 124.23 1wup h LEU 205 Ca 0.58 0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.65 1wup h LEU 205 Cb 1.22 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 42.04 1wup h LEU 205 CO -0.74 -0.14 0.35 -0.07 0.09 0.00 0.00 178.44 177.93 1wup h LEU 206 N 0.16 1.07 0.35 1.67 3.38 -0.92 -0.02 115.31 121.00 1wup h LEU 206 Ca 0.77 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.57 1wup h LEU 206 Cb 2.25 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 42.73 1wup h LEU 206 CO -0.44 0.93 -0.17 0.50 0.09 0.00 0.00 178.44 179.35 1wup h LYS 207 N 1.14 -0.46 -1.00 1.13 3.64 0.10 -1.94 116.57 119.18 1wup h LYS 207 Ca 0.27 0.03 0.29 0.00 -1.27 0.00 0.00 60.65 59.96 1wup h LYS 207 Cb 0.17 0.10 -0.14 0.00 -0.41 0.00 0.00 32.23 31.95 1wup h LYS 207 CO -0.03 -0.14 0.58 -0.07 -2.27 0.00 0.00 179.45 177.52 1wup h LEU 208 N -0.88 0.58 -0.40 5.20 3.38 -1.11 0.92 115.31 123.00 1wup h LEU 208 Ca -0.05 0.17 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1wup h LEU 208 Cb 0.53 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1wup h LEU 208 CO 0.08 -0.03 0.08 0.74 0.09 0.00 0.00 178.44 179.40 1wup h THR 209 N 0.44 1.24 0.37 0.22 2.02 -0.88 0.31 112.91 116.63 1wup h THR 209 Ca 0.69 -0.83 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 1wup h THR 209 Cb 1.46 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.87 1wup h THR 209 CO -0.55 0.29 -0.20 0.25 0.37 0.00 0.00 175.52 175.68 1wup h LEU 210 N 0.51 -0.47 0.06 2.58 5.85 0.14 0.53 115.31 124.52 1wup h LEU 210 Ca 0.12 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.89 1wup h LEU 210 Cb 0.34 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.45 1wup h LEU 210 CO 0.00 -0.32 -0.40 -0.33 -0.34 0.00 0.00 178.44 177.05 1wup h GLU 211 N -0.53 -0.58 -0.95 1.25 5.08 -0.11 0.82 114.58 119.58 1wup h GLU 211 Ca -0.05 0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.45 1wup h GLU 211 Cb 0.41 0.13 -0.08 0.00 0.50 0.00 0.00 28.75 29.72 1wup h GLU 211 CO 0.07 -0.38 0.58 0.37 -1.00 0.00 0.00 179.01 178.65 1wup h GLN 212 N -0.60 0.94 0.45 2.33 5.75 -0.26 0.25 115.11 123.96 1wup h GLN 212 Ca 0.04 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.46 1wup h GLN 212 Cb 0.65 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.99 1wup h GLN 212 CO -0.27 0.62 -0.28 0.00 -2.65 0.00 0.00 178.83 176.24 1wup h ALA 213 N 1.50 -0.70 -0.30 3.38 0.00 0.11 -0.12 119.26 123.13 1wup h ALA 213 Ca 0.45 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1wup h ALA 213 Cb 0.39 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1wup h ALA 213 CO -0.24 -0.91 0.16 -0.39 0.00 0.00 0.00 179.25 177.87 1wup h VAL 214 N -0.70 1.13 -1.02 0.00 -1.51 -0.36 0.56 116.25 114.35 1wup h VAL 214 Ca -0.05 -0.36 0.25 0.00 -1.23 0.00 0.00 66.70 65.31 1wup h VAL 214 Cb 0.58 0.83 -0.09 0.00 -2.13 0.00 0.00 31.29 30.48 1wup h VAL 214 CO 0.05 0.14 0.65 0.50 -1.23 0.00 0.00 177.57 177.68 1wup h LYS 215 N 0.36 0.42 -0.42 5.19 3.64 -0.37 1.36 116.57 126.75 1wup h LYS 215 Ca 0.10 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.41 1wup h LYS 215 Cb 0.08 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 1wup h LYS 215 CO -0.02 0.27 0.08 0.78 -2.27 0.00 0.00 179.45 178.30 1wup h GLY 216 N 0.43 0.73 0.97 5.01 0.00 1.00 -2.97 103.07 108.23 1wup h GLY 216 Ca 0.58 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 47.43 1wup h GLY 216 CO -0.29 0.44 0.18 -2.00 0.00 0.00 0.00 176.54 174.87 1wup h LEU 217 N 0.54 0.40 -1.08 3.11 5.85 0.29 -2.59 115.31 121.82 1wup h LEU 217 Ca 0.13 -0.08 0.29 0.00 0.84 0.00 0.00 57.88 59.07 1wup h LEU 217 Cb 0.34 -0.10 -0.13 0.00 0.37 0.00 0.00 40.66 41.14 1wup h LEU 217 CO 0.00 0.36 0.61 0.78 -0.34 0.00 0.00 178.44 179.85 1wup h ASN 218 N 0.40 0.55 0.00 1.25 4.21 -0.36 -3.50 115.58 118.13 1wup h ASN 218 Ca 0.11 0.15 0.00 0.00 1.21 0.00 0.00 56.30 57.78 1wup h ASN 218 Cb 0.04 0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.32 1wup h ASN 218 CO -0.02 -0.02 0.00 -0.62 -1.29 0.00 0.00 177.43 175.48