#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uwe s ALA 2 N 0.00 3.62 -0.00 4.31 0.00 -1.26 -5.00 121.76 123.43 2uwe s ALA 2 Ca 0.00 0.83 0.02 0.00 0.00 0.00 0.00 51.96 52.81 2uwe s ALA 2 Cb 0.00 -3.67 -0.01 0.00 0.00 0.00 0.00 23.12 19.44 2uwe s ALA 2 CO 0.00 -1.19 -0.06 0.00 0.00 0.00 0.00 175.76 174.50 2uwe s ALA 3 N 3.36 0.53 -0.06 0.00 0.00 -1.26 -5.02 121.76 119.32 2uwe s ALA 3 Ca 0.67 -0.29 0.04 0.00 0.00 0.00 0.00 51.96 52.38 2uwe s ALA 3 Cb -0.31 -0.13 -0.00 0.00 0.00 0.00 0.00 23.12 22.68 2uwe s ALA 3 CO 0.26 0.13 -0.20 0.08 0.00 0.00 0.00 175.76 176.03 2uwe s VAL 4 N -0.18 1.66 0.06 0.00 1.01 -1.26 -4.25 120.40 117.44 2uwe s VAL 4 Ca 0.02 -0.82 0.08 0.00 0.00 0.00 0.00 61.98 61.26 2uwe s VAL 4 Cb -0.03 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 2uwe s VAL 4 CO -0.00 0.47 -0.21 0.42 0.00 0.00 0.00 175.10 175.78 2uwe s THR 5 N 0.15 2.61 0.14 3.92 -4.23 -0.13 -4.20 115.64 113.90 2uwe s THR 5 Ca -0.09 -1.32 0.09 0.00 -1.18 0.00 0.00 61.69 59.19 2uwe s THR 5 Cb -0.14 -2.10 -0.04 0.00 1.34 0.00 0.00 72.50 71.56 2uwe s THR 5 CO 0.04 0.29 -0.20 -1.10 -0.54 0.00 0.00 174.62 173.11 2uwe s GLN 6 N -1.53 1.23 -0.17 3.99 -0.21 -1.26 -0.63 119.66 121.08 2uwe s GLN 6 Ca 0.14 -1.31 -0.11 0.00 0.02 0.00 0.00 55.36 54.10 2uwe s GLN 6 Cb -0.10 -1.41 0.05 0.00 1.00 0.00 0.00 33.01 32.55 2uwe s GLN 6 CO 0.05 0.31 0.41 0.45 -2.12 0.00 0.00 175.29 174.39 2uwe s SER 7 N -2.33 -0.49 0.74 5.90 0.15 -0.37 -4.54 113.70 112.76 2uwe s SER 7 Ca 0.12 0.88 -0.09 0.00 0.70 0.00 0.00 55.95 57.56 2uwe s SER 7 Cb -0.08 0.80 0.07 0.00 -1.71 0.00 0.00 66.02 65.10 2uwe s SER 7 CO 0.06 -0.18 1.08 -2.16 1.20 0.00 0.00 173.24 173.24 2uwe s PRO 8 N 1.03 2.14 0.36 5.44 0.04 -1.26 -0.13 135.00 142.62 2uwe s PRO 8 Ca -0.07 -0.09 0.20 0.00 0.04 0.00 0.00 61.00 61.09 2uwe s PRO 8 Cb -0.07 -2.08 0.22 0.00 0.04 0.00 0.00 34.50 32.61 2uwe s PRO 8 CO -0.09 -1.36 1.51 0.00 0.04 0.00 0.00 177.00 177.10 2uwe h ARG 9 N -0.77 0.00 -3.05 4.56 2.47 -1.84 -3.43 114.38 112.33 2uwe h ARG 9 Ca -0.45 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.11 2uwe h ARG 9 Cb 1.32 0.00 -0.26 0.00 -1.65 0.00 0.00 29.97 29.38 2uwe h ARG 9 CO 0.63 0.18 -0.41 0.45 0.56 0.00 0.00 179.97 181.38 2uwe s SER 10 N -6.24 -0.29 -0.09 7.04 0.15 -1.26 -2.04 113.70 110.97 2uwe s SER 10 Ca 0.05 0.56 -0.05 0.00 0.70 0.00 0.00 55.95 57.21 2uwe s SER 10 Cb 0.06 0.54 0.04 0.00 -1.71 0.00 0.00 66.02 64.96 2uwe s SER 10 CO 0.71 -0.11 0.21 -0.75 1.20 0.00 0.00 173.24 174.50 2uwe s LYS 11 N 0.34 0.17 -0.22 5.44 2.47 -0.34 -4.98 119.74 122.62 2uwe s LYS 11 Ca -0.02 0.45 -0.04 0.00 -1.56 0.00 0.00 55.97 54.80 2uwe s LYS 11 Cb -0.03 -0.12 -0.01 0.00 -1.46 0.00 0.00 37.83 36.21 2uwe s LYS 11 CO -0.01 -0.15 -0.02 0.08 0.16 0.00 0.00 175.35 175.41 2uwe s VAL 12 N 1.11 3.62 0.21 4.02 1.01 -1.26 -1.82 120.40 127.29 2uwe s VAL 12 Ca -0.08 -0.41 0.09 0.00 0.00 0.00 0.00 61.98 61.57 2uwe s VAL 12 Cb -0.10 -2.65 -0.05 0.00 0.00 0.00 0.00 36.38 33.59 2uwe s VAL 12 CO -0.07 0.41 -0.17 0.00 0.00 0.00 0.00 175.10 175.28 2uwe s ALA 13 N 1.36 2.16 0.22 5.51 0.00 -0.47 -4.94 121.76 125.61 2uwe s ALA 13 Ca 0.04 -1.65 -0.01 0.00 0.00 0.00 0.00 51.96 50.34 2uwe s ALA 13 Cb -0.14 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 2uwe s ALA 13 CO -0.01 0.16 0.42 0.08 0.00 0.00 0.00 175.76 176.42 2uwe s VAL 14 N -2.60 5.17 0.09 0.00 1.01 -1.26 -0.37 120.40 122.45 2uwe s VAL 14 Ca 0.22 -0.33 -0.31 0.00 0.00 0.00 0.00 61.98 61.56 2uwe s VAL 14 Cb -0.03 -3.75 -0.08 0.00 0.00 0.00 0.00 36.38 32.53 2uwe s VAL 14 CO 0.08 -0.23 1.40 0.42 0.00 0.00 0.00 175.10 176.78 2uwe s THR 15 N -1.93 3.36 0.00 3.92 -4.23 0.33 -2.46 115.64 114.62 2uwe s THR 15 Ca 0.39 0.94 0.00 0.00 -1.18 0.00 0.00 61.69 61.85 2uwe s THR 15 Cb -0.11 -3.61 0.00 0.00 1.34 0.00 0.00 72.50 70.13 2uwe s THR 15 CO 0.30 0.06 0.00 0.61 -0.54 0.00 0.00 174.62 175.04 2uwe n GLY 16 N 3.54 0.72 3.96 3.99 0.00 0.78 -4.90 105.19 113.28 2uwe n GLY 16 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 2uwe n GLY 16 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2uwe s GLY 17 N -1.44 1.75 -0.22 -0.02 0.00 -1.03 -4.52 107.32 101.83 2uwe s GLY 17 Ca 0.00 -1.16 -0.10 0.00 0.00 0.00 0.00 44.72 43.46 2uwe s GLY 17 CO 0.00 -0.86 0.14 1.25 0.00 0.00 0.00 173.10 173.63 2uwe s LYS 18 N -4.86 4.08 -0.10 2.90 2.20 -1.25 -1.17 119.74 121.53 2uwe s LYS 18 Ca 0.57 -0.27 0.04 0.00 -0.36 0.00 0.00 55.97 55.94 2uwe s LYS 18 Cb -0.10 -3.47 0.00 0.00 -1.51 0.00 0.00 37.83 32.75 2uwe s LYS 18 CO 0.40 0.14 -0.23 0.08 -0.36 0.00 0.00 175.35 175.38 2uwe s VAL 19 N 0.81 1.99 -0.21 4.02 1.01 -0.17 -5.00 120.40 122.85 2uwe s VAL 19 Ca 0.07 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.09 2uwe s VAL 19 Cb -0.13 -1.73 0.03 0.00 0.00 0.00 0.00 36.38 34.56 2uwe s VAL 19 CO 0.02 0.54 -0.15 -0.89 0.00 0.00 0.00 175.10 174.62 2uwe s THR 20 N 0.44 2.22 -0.21 3.92 2.01 -1.26 -0.46 115.64 122.30 2uwe s THR 20 Ca -0.17 -1.17 -0.09 0.00 0.31 0.00 0.00 61.69 60.57 2uwe s THR 20 Cb -0.17 -2.08 -0.05 0.00 0.01 0.00 0.00 72.50 70.21 2uwe s THR 20 CO 0.07 0.31 0.12 -0.76 -0.69 0.00 0.00 174.62 173.67 2uwe s LEU 21 N 1.24 4.05 0.05 4.42 1.43 0.56 -4.70 118.68 125.72 2uwe s LEU 21 Ca -0.00 0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.28 2uwe s LEU 21 Cb -0.16 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 2uwe s LEU 21 CO -0.09 0.15 -0.01 -0.44 0.23 0.00 0.00 176.35 176.19 2uwe s SER 22 N 0.56 5.02 -0.01 2.29 0.01 0.81 -0.16 113.70 122.22 2uwe s SER 22 Ca 0.06 -0.11 0.01 0.00 1.31 0.00 0.00 55.95 57.22 2uwe s SER 22 Cb -0.12 -1.24 0.01 0.00 0.21 0.00 0.00 66.02 64.88 2uwe s SER 22 CO 0.00 0.23 -0.03 0.00 0.41 0.00 0.00 173.24 173.85 2uwe s HIS 24 N 0.24 0.80 -0.21 0.00 2.46 0.20 -2.10 115.29 116.68 2uwe s HIS 24 Ca -0.02 -0.15 -0.11 0.00 0.47 0.00 0.00 55.06 55.25 2uwe s HIS 24 Cb -0.05 -0.51 0.07 0.00 -0.13 0.00 0.00 32.58 31.95 2uwe s HIS 24 CO -0.00 -0.02 0.50 -1.14 -2.47 0.00 0.00 174.74 171.61 2uwe s GLN 25 N -0.20 0.47 -0.29 2.88 -0.44 -0.52 -0.95 119.66 120.61 2uwe s GLN 25 Ca 0.03 0.98 0.08 0.00 -2.50 0.00 0.00 55.36 53.95 2uwe s GLN 25 Cb -0.04 0.12 0.46 0.00 -1.64 0.00 0.00 33.01 31.92 2uwe s GLN 25 CO -0.00 -0.17 1.19 0.25 0.50 0.00 0.00 175.29 177.05 2uwe n THR 26 N 4.52 2.46 1.33 -0.34 -2.24 -1.26 -4.35 114.28 114.40 2uwe n THR 26 Ca -0.20 -4.15 0.13 0.00 -2.27 0.00 0.00 64.05 57.57 2uwe n THR 26 Cb 0.55 -1.01 0.45 0.00 -2.10 0.00 0.00 70.33 68.23 2uwe n THR 26 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2uwe n ASN 27 N -0.71 1.01 -3.29 3.42 3.02 -1.26 -4.94 115.26 112.51 2uwe n ASN 27 Ca 0.42 -0.96 -0.17 0.00 -0.03 0.00 0.00 54.58 53.84 2uwe n ASN 27 Cb 0.96 0.07 0.08 0.00 -0.61 0.00 0.00 39.78 40.28 2uwe n ASN 27 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2uwe n ASN 28 N -0.55 -2.74 -4.56 6.41 2.85 -1.26 -5.02 115.26 110.38 2uwe n ASN 28 Ca 0.14 -0.57 -0.34 0.00 -0.11 0.00 0.00 54.58 53.70 2uwe n ASN 28 Cb 0.33 -4.82 -0.11 0.00 1.24 0.00 0.00 39.78 36.43 2uwe n ASN 28 CO 0.00 0.00 0.00 -1.00 -2.11 0.00 0.00 177.26 174.15 2uwe s HIS 29 N -3.33 3.16 0.04 1.20 3.76 -1.26 -4.92 115.29 113.93 2uwe s HIS 29 Ca 0.10 -0.11 0.09 0.00 -0.15 0.00 0.00 55.06 54.98 2uwe s HIS 29 Cb -0.04 -2.06 -0.13 0.00 1.11 0.00 0.00 32.58 31.46 2uwe s HIS 29 CO 0.68 0.02 1.33 -0.44 -0.85 0.00 0.00 174.74 175.48 2uwe h ASP 30 N 6.91 0.00 -3.32 1.40 3.32 -1.85 -3.46 116.42 119.42 2uwe h ASP 30 Ca -0.35 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.10 2uwe h ASP 30 Cb 1.18 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.62 2uwe h ASP 30 CO 0.66 0.85 -0.36 -0.31 -1.72 0.00 0.00 179.24 178.37 2uwe s TYR 31 N -2.78 3.43 0.05 4.55 1.51 -0.99 -3.62 117.35 119.50 2uwe s TYR 31 Ca 0.02 0.52 0.02 0.00 -1.01 0.00 0.00 57.07 56.62 2uwe s TYR 31 Cb 0.09 -2.32 -0.03 0.00 -0.11 0.00 0.00 41.96 39.60 2uwe s TYR 31 CO 0.80 0.21 -0.08 -1.64 -1.11 0.00 0.00 175.55 173.74 2uwe s MET 32 N 0.56 0.59 -0.02 -0.62 -1.94 0.33 -1.38 119.30 116.82 2uwe s MET 32 Ca 0.14 -0.87 -0.06 0.00 -1.71 0.00 0.00 55.69 53.19 2uwe s MET 32 Cb -0.13 -0.28 0.01 0.00 2.01 0.00 0.00 34.83 36.44 2uwe s MET 32 CO 0.03 0.04 0.14 0.71 -0.01 0.00 0.00 175.02 175.93 2uwe s TYR 33 N -1.81 -0.04 -0.14 -0.03 1.51 -0.20 -1.00 117.35 115.63 2uwe s TYR 33 Ca -0.06 0.09 -0.01 0.00 -1.01 0.00 0.00 57.07 56.09 2uwe s TYR 33 Cb -0.07 -0.01 -0.01 0.00 -0.11 0.00 0.00 41.96 41.76 2uwe s TYR 33 CO -0.01 -0.20 -0.12 -1.58 -1.11 0.00 0.00 175.55 172.54 2uwe s TRP 34 N -0.76 2.83 0.11 2.71 0.52 -0.50 -0.69 118.94 123.16 2uwe s TRP 34 Ca -0.08 -0.70 0.09 0.00 0.02 0.00 0.00 56.10 55.43 2uwe s TRP 34 Cb -0.05 -1.87 -0.04 0.00 -1.15 0.00 0.00 33.47 30.36 2uwe s TRP 34 CO 0.01 -0.26 -0.24 0.71 0.02 0.00 0.00 176.95 177.19 2uwe s TYR 35 N 0.50 2.02 0.05 -1.98 1.51 0.96 -0.90 117.35 119.51 2uwe s TYR 35 Ca -0.09 -0.40 0.07 0.00 -1.01 0.00 0.00 57.07 55.64 2uwe s TYR 35 Cb -0.16 -1.11 -0.03 0.00 -0.11 0.00 0.00 41.96 40.55 2uwe s TYR 35 CO 0.04 0.26 -0.15 -0.98 -1.11 0.00 0.00 175.55 173.61 2uwe s ARG 36 N -1.94 2.13 -0.07 -0.62 1.70 -0.70 -0.33 118.95 119.13 2uwe s ARG 36 Ca 0.10 -0.96 0.05 0.00 -0.47 0.00 0.00 55.73 54.45 2uwe s ARG 36 Cb -0.10 -2.25 -0.01 0.00 -0.57 0.00 0.00 34.95 32.02 2uwe s ARG 36 CO 0.05 0.54 -0.24 -1.14 -1.08 0.00 0.00 175.30 173.43 2uwe s GLN 37 N -1.60 2.65 -0.21 3.89 0.74 0.18 -2.08 119.66 123.23 2uwe s GLN 37 Ca 0.16 -0.88 0.01 0.00 0.05 0.00 0.00 55.36 54.69 2uwe s GLN 37 Cb -0.11 -2.21 0.03 0.00 1.10 0.00 0.00 33.01 31.82 2uwe s GLN 37 CO 0.07 0.36 -0.15 -0.51 -0.55 0.00 0.00 175.29 174.51 2uwe s ASP 38 N -0.10 3.61 -1.46 6.67 1.01 0.14 -2.01 116.67 124.53 2uwe s ASP 38 Ca -0.05 -0.79 -0.03 0.00 0.71 0.00 0.00 52.55 52.39 2uwe s ASP 38 Cb -0.14 -1.54 0.02 0.00 1.01 0.00 0.00 42.92 42.28 2uwe s ASP 38 CO 0.04 -0.05 0.45 0.41 0.21 0.00 0.00 175.17 176.23 2uwe n THR 39 N 4.61 -2.61 -1.32 -1.27 -1.04 -1.26 -1.13 114.28 110.26 2uwe n THR 39 Ca -0.19 -0.42 -0.11 0.00 -2.04 0.00 0.00 64.05 61.29 2uwe n THR 39 Cb 0.48 -2.40 -0.05 0.00 -1.82 0.00 0.00 70.33 66.54 2uwe n THR 39 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2uwe n GLY 40 N -1.94 1.21 3.08 3.41 0.00 -1.26 -5.00 105.19 104.68 2uwe n GLY 40 Ca -0.25 -0.44 -0.10 0.00 0.00 0.00 0.00 46.02 45.22 2uwe n GLY 40 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2uwe s HIS 41 N -2.36 0.15 0.07 1.61 3.76 -0.28 -5.13 115.29 113.10 2uwe s HIS 41 Ca 0.00 -0.35 0.00 0.00 -0.15 0.00 0.00 55.06 54.56 2uwe s HIS 41 Cb 0.00 -0.12 0.00 0.00 1.11 0.00 0.00 32.58 33.57 2uwe s HIS 41 CO 0.00 -0.28 0.00 0.41 -0.85 0.00 0.00 174.74 174.02 2uwe n GLY 42 N 1.28 -2.92 2.68 -2.22 0.00 -1.26 -0.68 105.19 102.07 2uwe n GLY 42 Ca -0.22 -1.26 -0.18 0.00 0.00 0.00 0.00 46.02 44.36 2uwe n GLY 42 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2uwe s LEU 43 N -3.41 0.08 -0.18 0.99 2.96 -1.26 -4.12 118.68 113.75 2uwe s LEU 43 Ca 0.00 -1.93 -0.11 0.00 -0.22 0.00 0.00 54.13 51.88 2uwe s LEU 43 Cb 0.00 0.51 -0.05 0.00 0.50 0.00 0.00 46.19 47.15 2uwe s LEU 43 CO 0.00 -0.21 0.17 -0.13 -1.32 0.00 0.00 176.35 174.86 2uwe s ARG 44 N 1.06 4.14 -0.06 1.98 0.52 -0.88 -4.88 118.95 120.82 2uwe s ARG 44 Ca 0.22 -0.13 -0.30 0.00 -0.52 0.00 0.00 55.73 55.00 2uwe s ARG 44 Cb -0.10 -3.40 -0.03 0.00 0.52 0.00 0.00 34.95 31.94 2uwe s ARG 44 CO -0.06 0.33 1.19 -1.17 0.02 0.00 0.00 175.30 175.61 2uwe s LEU 45 N 0.25 4.28 -0.12 2.53 2.96 -1.26 -1.72 118.68 125.59 2uwe s LEU 45 Ca 0.11 1.80 -0.09 0.00 -0.22 0.00 0.00 54.13 55.72 2uwe s LEU 45 Cb -0.12 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.98 2uwe s LEU 45 CO 0.00 -0.57 -0.18 -0.38 -1.32 0.00 0.00 176.35 173.90 2uwe n ILE 46 N 4.60 1.13 -4.03 6.68 -0.00 -0.08 -0.39 119.36 127.28 2uwe n ILE 46 Ca 0.11 0.26 -0.09 0.00 -0.00 0.00 0.00 62.75 63.03 2uwe n ILE 46 Cb 0.46 -2.19 -0.11 0.00 -0.00 0.00 0.00 39.64 37.80 2uwe n ILE 46 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.55 175.55 2uwe s HIS 47 N -2.14 0.39 0.25 1.39 3.76 -1.25 0.56 115.29 118.26 2uwe s HIS 47 Ca -0.15 -0.72 0.01 0.00 -0.15 0.00 0.00 55.06 54.05 2uwe s HIS 47 Cb 0.02 -0.28 -0.04 0.00 1.11 0.00 0.00 32.58 33.39 2uwe s HIS 47 CO 0.22 -0.25 0.15 1.52 -0.85 0.00 0.00 174.74 175.54 2uwe s TYR 48 N -2.34 1.40 -0.19 1.40 1.13 0.01 -1.41 117.35 117.36 2uwe s TYR 48 Ca -0.07 -1.38 -0.13 0.00 -1.41 0.00 0.00 57.07 54.08 2uwe s TYR 48 Cb -0.04 -0.71 0.06 0.00 -1.10 0.00 0.00 41.96 40.18 2uwe s TYR 48 CO -0.04 -0.59 0.47 0.45 -2.51 0.00 0.00 175.55 173.33 2uwe s SER 49 N -3.26 -0.57 -0.00 -0.18 0.15 -0.17 0.08 113.70 109.74 2uwe s SER 49 Ca 0.38 1.01 0.11 0.00 0.70 0.00 0.00 55.95 58.15 2uwe s SER 49 Cb 0.06 0.93 -0.13 0.00 -1.71 0.00 0.00 66.02 65.17 2uwe s SER 49 CO 0.16 -0.19 0.43 0.00 1.20 0.00 0.00 173.24 174.83 2uwe n TYR 50 N 3.76 0.00 -3.71 3.44 0.18 -1.26 -0.51 117.16 119.07 2uwe n TYR 50 Ca -0.19 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.46 2uwe n TYR 50 Cb 0.56 -0.06 -0.07 0.00 -0.38 0.00 0.00 39.34 39.39 2uwe n TYR 50 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2uwe s VAL 51 N -2.22 0.06 0.39 -3.48 0.11 -1.24 -4.36 120.40 109.66 2uwe s VAL 51 Ca 0.02 -0.48 -0.28 0.00 -2.93 0.00 0.00 61.98 58.31 2uwe s VAL 51 Cb 0.08 -0.82 -0.11 0.00 -1.53 0.00 0.00 36.38 34.00 2uwe s VAL 51 CO 0.46 -0.27 1.48 0.00 -3.33 0.00 0.00 175.10 173.44 2uwe s ALA 52 N -1.95 3.53 -0.52 1.54 0.00 -1.26 -2.96 121.76 120.14 2uwe s ALA 52 Ca -0.09 1.56 0.00 0.00 0.00 0.00 0.00 51.96 53.43 2uwe s ALA 52 Cb -0.02 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.49 2uwe s ALA 52 CO 0.01 -1.07 0.00 -0.25 0.00 0.00 0.00 175.76 174.45 2uwe n ASP 53 N 0.37 -3.93 -3.81 0.00 8.00 0.11 -5.01 116.55 112.29 2uwe n ASP 53 Ca 0.01 0.12 -0.12 0.00 0.71 0.00 0.00 54.79 55.51 2uwe n ASP 53 Cb 0.40 -1.86 -0.12 0.00 -0.02 0.00 0.00 41.12 39.51 2uwe n ASP 53 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2uwe s SER 54 N -2.63 -0.18 0.02 -2.24 0.15 -1.15 -4.99 113.70 102.68 2uwe s SER 54 Ca 0.00 0.35 0.03 0.00 0.70 0.00 0.00 55.95 57.03 2uwe s SER 54 Cb 0.00 0.36 -0.02 0.00 -1.71 0.00 0.00 66.02 64.65 2uwe s SER 54 CO 0.00 -0.06 -0.09 -0.89 1.20 0.00 0.00 173.24 173.40 2uwe s THR 55 N 0.11 0.65 0.07 6.45 2.01 -1.26 -4.53 115.64 119.13 2uwe s THR 55 Ca -0.00 -0.76 0.09 0.00 0.31 0.00 0.00 61.69 61.34 2uwe s THR 55 Cb -0.01 -0.62 -0.03 0.00 0.01 0.00 0.00 72.50 71.84 2uwe s THR 55 CO 0.00 -0.10 -0.25 -1.61 -0.69 0.00 0.00 174.62 171.97 2uwe s GLU 56 N -0.95 1.76 0.35 4.92 0.41 0.11 -5.00 118.70 120.30 2uwe s GLU 56 Ca -0.03 -1.15 -0.27 0.00 -0.41 0.00 0.00 54.97 53.12 2uwe s GLU 56 Cb -0.07 -2.00 -0.09 0.00 -1.78 0.00 0.00 34.13 30.19 2uwe s GLU 56 CO 0.00 0.50 1.17 0.15 -0.49 0.00 0.00 175.26 176.59 2uwe s LYS 57 N -1.48 4.30 0.00 1.61 1.02 -1.26 -0.81 119.74 123.12 2uwe s LYS 57 Ca 0.13 1.88 0.00 0.00 0.02 0.00 0.00 55.97 57.99 2uwe s LYS 57 Cb -0.10 -2.90 0.00 0.00 -0.52 0.00 0.00 37.83 34.31 2uwe s LYS 57 CO 0.04 -0.12 0.00 0.41 -0.92 0.00 0.00 175.35 174.76 2uwe n GLY 58 N 0.81 1.73 0.11 -3.33 0.00 0.19 -4.72 105.19 99.99 2uwe n GLY 58 Ca 0.02 -1.78 -0.11 0.00 0.00 0.00 0.00 46.02 44.15 2uwe n GLY 58 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2uwe h ASP 59 N 0.00 0.29 -2.15 1.61 3.32 -0.89 -3.40 116.42 115.19 2uwe h ASP 59 Ca 0.00 -0.27 -0.58 0.00 0.02 0.00 0.00 57.03 56.21 2uwe h ASP 59 Cb 0.00 -0.09 -0.40 0.00 0.22 0.00 0.00 39.33 39.06 2uwe h ASP 59 CO 0.00 1.12 -0.92 2.30 -1.72 0.00 0.00 179.24 180.02 2uwe n ILE 60 N -3.59 0.23 0.66 0.35 -5.35 -0.70 -4.97 119.36 105.99 2uwe n ILE 60 Ca -0.05 -4.34 0.12 0.00 -0.27 0.00 0.00 62.75 58.22 2uwe n ILE 60 Cb 0.89 -1.98 0.29 0.00 -1.74 0.00 0.00 39.64 37.10 2uwe n ILE 60 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 2uwe n PRO 61 N 1.43 0.24 -1.69 6.28 -0.04 -1.26 -4.63 135.00 135.33 2uwe n PRO 61 Ca 0.24 0.12 -0.44 0.00 -0.04 0.00 0.00 63.50 63.38 2uwe n PRO 61 Cb 0.48 -1.70 -0.04 0.00 -0.04 0.00 0.00 33.50 32.21 2uwe n PRO 61 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2uwe n ASP 62 N -2.07 3.55 0.00 3.54 8.00 -1.26 -1.81 116.55 126.50 2uwe n ASP 62 Ca 0.04 1.07 0.00 0.00 0.71 0.00 0.00 54.79 56.62 2uwe n ASP 62 Cb 0.42 -1.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.02 2uwe n ASP 62 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2uwe n GLY 64 N 3.70 1.91 3.40 0.44 0.00 -1.26 -5.01 105.19 108.36 2uwe n GLY 64 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 2uwe n GLY 64 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2uwe s TYR 65 N -3.12 2.46 0.29 1.61 2.02 -0.75 -4.31 117.35 115.55 2uwe s TYR 65 Ca 0.00 -0.33 0.10 0.00 -0.37 0.00 0.00 57.07 56.47 2uwe s TYR 65 Cb 0.00 -1.47 -0.05 0.00 -0.40 0.00 0.00 41.96 40.03 2uwe s TYR 65 CO 0.00 0.14 -0.15 0.15 -1.57 0.00 0.00 175.55 174.13 2uwe s LYS 66 N -1.10 1.67 0.02 -0.62 1.02 0.26 -4.96 119.74 116.03 2uwe s LYS 66 Ca 0.12 -1.80 0.00 0.00 0.02 0.00 0.00 55.97 54.31 2uwe s LYS 66 Cb -0.10 -1.62 -0.02 0.00 -0.52 0.00 0.00 37.83 35.57 2uwe s LYS 66 CO 0.02 0.23 -0.03 0.00 -0.92 0.00 0.00 175.35 174.65 2uwe s ALA 67 N -2.64 0.13 -0.03 5.17 0.00 -1.26 -0.25 121.76 122.89 2uwe s ALA 67 Ca 0.30 -0.48 0.02 0.00 0.00 0.00 0.00 51.96 51.79 2uwe s ALA 67 Cb -0.01 0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.23 2uwe s ALA 67 CO 0.14 -0.12 -0.06 0.45 0.00 0.00 0.00 175.76 176.18 2uwe s SER 68 N -1.17 0.92 -0.69 0.00 0.15 -0.75 -4.87 113.70 107.29 2uwe s SER 68 Ca -0.12 -0.13 0.05 0.00 0.70 0.00 0.00 55.95 56.44 2uwe s SER 68 Cb -0.08 -0.33 0.17 0.00 -1.71 0.00 0.00 66.02 64.07 2uwe s SER 68 CO -0.01 0.00 0.48 -0.60 1.20 0.00 0.00 173.24 174.32 2uwe s ARG 69 N 0.49 2.41 0.48 5.44 6.06 -1.26 -0.17 118.95 132.39 2uwe s ARG 69 Ca -0.07 -3.29 0.26 0.00 -2.50 0.00 0.00 55.73 50.14 2uwe s ARG 69 Cb -0.10 -3.37 1.19 0.00 0.06 0.00 0.00 34.95 32.72 2uwe s ARG 69 CO 0.00 -1.28 1.95 -1.00 -2.50 0.00 0.00 175.30 172.47 2uwe h PRO 70 N 5.45 0.00 -3.91 5.12 0.13 -1.97 0.32 132.00 137.14 2uwe h PRO 70 Ca 0.14 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 65.03 2uwe h PRO 70 Cb 0.76 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.83 2uwe h PRO 70 CO 0.71 0.18 -0.09 -1.54 -0.23 0.00 0.00 178.00 177.03 2uwe s SER 71 N -6.16 0.83 0.37 1.44 1.04 -1.26 -4.66 113.70 105.30 2uwe s SER 71 Ca -0.01 -1.46 0.06 0.00 0.48 0.00 0.00 55.95 55.01 2uwe s SER 71 Cb 0.12 0.72 0.71 0.00 0.10 0.00 0.00 66.02 67.66 2uwe s SER 71 CO 0.61 -1.41 1.94 -0.61 0.98 0.00 0.00 173.24 174.75 2uwe h GLN 72 N 2.06 0.50 0.00 4.02 4.15 -1.94 -3.21 115.11 120.71 2uwe h GLN 72 Ca -0.29 -0.08 -0.22 0.00 0.77 0.00 0.00 58.65 58.83 2uwe h GLN 72 Cb 1.24 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.81 2uwe h GLN 72 CO 0.39 0.47 -1.07 0.93 -1.93 0.00 0.00 178.83 177.62 2uwe h GLU 73 N 0.50 0.01 -6.17 1.69 3.07 -1.89 -3.46 114.58 108.31 2uwe h GLU 73 Ca 0.12 -0.01 -0.69 0.00 -0.50 0.00 0.00 59.36 58.28 2uwe h GLU 73 Cb 0.20 0.00 -0.24 0.00 -0.84 0.00 0.00 28.75 27.87 2uwe h GLU 73 CO -0.00 0.96 -0.78 -0.80 -1.40 0.00 0.00 179.01 176.99 2uwe s ASN 74 N -6.66 3.95 -0.23 1.42 0.01 -1.21 -1.44 114.94 110.77 2uwe s ASN 74 Ca 0.00 -0.24 -0.03 0.00 -0.71 0.00 0.00 52.86 51.88 2uwe s ASN 74 Cb 0.10 -0.94 0.10 0.00 0.41 0.00 0.00 41.25 40.91 2uwe s ASN 74 CO 0.82 0.31 0.20 0.12 -1.51 0.00 0.00 177.10 177.04 2uwe s PHE 75 N -0.54 -0.12 0.06 2.20 5.36 -0.89 -3.84 117.98 120.21 2uwe s PHE 75 Ca 0.07 -0.15 -0.13 0.00 -0.96 0.00 0.00 56.93 55.77 2uwe s PHE 75 Cb -0.11 -0.54 -0.06 0.00 -0.34 0.00 0.00 43.02 41.97 2uwe s PHE 75 CO 0.01 -0.69 0.44 -1.12 -1.46 0.00 0.00 175.22 172.40 2uwe s SER 76 N 2.26 6.75 -0.15 6.13 0.01 0.76 -2.71 113.70 126.75 2uwe s SER 76 Ca 0.07 0.93 -0.02 0.00 1.31 0.00 0.00 55.95 58.23 2uwe s SER 76 Cb -0.15 -2.23 -0.02 0.00 0.21 0.00 0.00 66.02 63.82 2uwe s SER 76 CO -0.20 0.22 -0.07 -0.22 0.41 0.00 0.00 173.24 173.37 2uwe s LEU 77 N -1.60 3.03 -0.14 2.44 2.96 0.78 -1.82 118.68 124.33 2uwe s LEU 77 Ca 0.31 -0.22 0.02 0.00 -0.22 0.00 0.00 54.13 54.01 2uwe s LEU 77 Cb -0.15 -1.72 0.01 0.00 0.50 0.00 0.00 46.19 44.83 2uwe s LEU 77 CO 0.17 0.15 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.53 2uwe s ILE 78 N 0.46 1.84 -0.35 6.68 1.01 0.66 -0.32 121.20 131.18 2uwe s ILE 78 Ca -0.06 -0.83 -0.06 0.00 0.00 0.00 0.00 60.65 59.70 2uwe s ILE 78 Cb -0.15 -1.66 0.05 0.00 0.01 0.00 0.00 42.46 40.71 2uwe s ILE 78 CO 0.03 0.51 0.12 -0.76 0.00 0.00 0.00 174.94 174.84 2uwe s LEU 79 N 1.05 4.44 0.06 2.97 1.43 0.39 -0.57 118.68 128.45 2uwe s LEU 79 Ca -0.03 -1.22 -0.17 0.00 -1.03 0.00 0.00 54.13 51.68 2uwe s LEU 79 Cb -0.14 -1.88 -0.16 0.00 0.03 0.00 0.00 46.19 44.04 2uwe s LEU 79 CO -0.05 -0.36 1.28 -0.33 0.23 0.00 0.00 176.35 177.12 2uwe h GLU 80 N 8.23 0.55 -2.86 1.70 4.39 -1.82 -0.44 114.58 124.33 2uwe h GLU 80 Ca -0.23 -0.40 -0.60 0.00 0.34 0.00 0.00 59.36 58.47 2uwe h GLU 80 Cb 1.08 0.07 -0.40 0.00 -0.10 0.00 0.00 28.75 29.40 2uwe h GLU 80 CO 0.62 1.02 -0.77 -0.51 -1.16 0.00 0.00 179.01 178.21 2uwe s LEU 81 N -8.69 2.17 0.36 1.33 1.43 -1.25 -3.90 118.68 110.13 2uwe s LEU 81 Ca -0.13 -2.50 -0.28 0.00 -1.03 0.00 0.00 54.13 50.19 2uwe s LEU 81 Cb 0.06 -0.84 -0.11 0.00 0.03 0.00 0.00 46.19 45.33 2uwe s LEU 81 CO 0.82 -0.28 1.49 0.00 0.23 0.00 0.00 176.35 178.62 2uwe n ALA 82 N 3.68 2.32 -2.35 4.21 0.00 -0.32 -4.57 120.51 123.48 2uwe n ALA 82 Ca 0.10 0.35 -0.18 0.00 0.00 0.00 0.00 53.44 53.71 2uwe n ALA 82 Cb 0.35 -2.41 -0.10 0.00 0.00 0.00 0.00 19.45 17.29 2uwe n ALA 82 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2uwe s SER 83 N -0.05 2.46 0.53 0.00 1.04 -1.26 -0.15 113.70 116.27 2uwe s SER 83 Ca 0.55 -1.00 0.22 0.00 0.48 0.00 0.00 55.95 56.20 2uwe s SER 83 Cb -0.49 -0.12 1.38 0.00 0.10 0.00 0.00 66.02 66.89 2uwe s SER 83 CO 0.61 -0.18 2.07 -0.07 0.98 0.00 0.00 173.24 176.65 2uwe h LEU 84 N 2.66 0.00 -0.57 2.42 3.38 -1.95 -0.87 115.31 120.38 2uwe h LEU 84 Ca -0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.59 2uwe h LEU 84 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2uwe h LEU 84 CO 0.61 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.60 2uwe n SER 85 N -4.38 0.50 -0.69 -0.43 3.41 -1.26 -2.73 113.62 108.04 2uwe n SER 85 Ca 0.04 0.63 0.12 0.00 -0.26 0.00 0.00 58.87 59.40 2uwe n SER 85 Cb 0.38 -0.73 0.35 0.00 -0.26 0.00 0.00 64.21 63.95 2uwe n SER 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2uwe n GLN 86 N -2.06 1.92 -1.86 4.33 6.02 -0.33 -4.86 117.38 120.55 2uwe n GLN 86 Ca 0.02 -1.37 -0.42 0.00 -0.01 0.00 0.00 57.00 55.22 2uwe n GLN 86 Cb 0.20 -1.45 -0.03 0.00 1.02 0.00 0.00 30.24 29.98 2uwe n GLN 86 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2uwe s THR 87 N -1.84 3.33 -0.01 5.09 2.01 -1.11 -4.85 115.64 118.26 2uwe s THR 87 Ca 0.34 0.38 -0.29 0.00 0.31 0.00 0.00 61.69 62.44 2uwe s THR 87 Cb 0.20 -3.29 0.10 0.00 0.01 0.00 0.00 72.50 69.51 2uwe s THR 87 CO 0.30 -0.09 1.28 0.00 -0.69 0.00 0.00 174.62 175.42 2uwe s ALA 88 N 5.12 -2.40 -0.17 7.40 0.00 -0.65 -4.97 121.76 126.09 2uwe s ALA 88 Ca 0.82 0.16 -0.13 0.00 0.00 0.00 0.00 51.96 52.82 2uwe s ALA 88 Cb -0.34 0.78 -0.05 0.00 0.00 0.00 0.00 23.12 23.51 2uwe s ALA 88 CO 0.34 -1.13 0.24 0.08 0.00 0.00 0.00 175.76 175.30 2uwe s VAL 89 N -2.10 5.34 -0.21 0.00 1.01 -0.85 -1.45 120.40 122.13 2uwe s VAL 89 Ca 0.26 0.44 -0.03 0.00 0.00 0.00 0.00 61.98 62.65 2uwe s VAL 89 Cb 0.01 -3.58 -0.00 0.00 0.00 0.00 0.00 36.38 32.80 2uwe s VAL 89 CO -0.01 0.41 -0.08 -0.31 0.00 0.00 0.00 175.10 175.11 2uwe s TYR 90 N 0.43 2.92 -0.14 5.22 1.51 0.18 0.47 117.35 127.94 2uwe s TYR 90 Ca 0.14 -1.06 -0.05 0.00 -1.01 0.00 0.00 57.07 55.09 2uwe s TYR 90 Cb -0.12 -2.06 -0.04 0.00 -0.11 0.00 0.00 41.96 39.63 2uwe s TYR 90 CO 0.02 -0.58 0.03 -0.06 -1.11 0.00 0.00 175.55 173.85 2uwe s PHE 91 N 1.40 3.22 0.07 2.71 0.40 0.56 -0.74 117.98 125.60 2uwe s PHE 91 Ca 0.05 0.11 -0.04 0.00 -0.60 0.00 0.00 56.93 56.45 2uwe s PHE 91 Cb -0.14 -1.94 -0.05 0.00 0.51 0.00 0.00 43.02 41.40 2uwe s PHE 91 CO -0.05 0.30 0.29 0.00 0.70 0.00 0.00 175.22 176.46 2uwe s ALA 93 N -1.48 0.50 -0.00 0.00 0.00 0.13 0.64 121.76 121.55 2uwe s ALA 93 Ca 0.34 -1.16 -0.06 0.00 0.00 0.00 0.00 51.96 51.09 2uwe s ALA 93 Cb -0.13 0.25 -0.00 0.00 0.00 0.00 0.00 23.12 23.24 2uwe s ALA 93 CO 0.22 -0.34 0.10 -1.54 0.00 0.00 0.00 175.76 174.21 2uwe s SER 94 N -2.78 0.05 0.12 0.00 1.04 -0.01 -1.03 113.70 111.09 2uwe s SER 94 Ca 0.05 -0.20 -0.12 0.00 0.48 0.00 0.00 55.95 56.16 2uwe s SER 94 Cb 0.06 0.19 0.01 0.00 0.10 0.00 0.00 66.02 66.39 2uwe s SER 94 CO -0.09 -0.31 0.31 -0.94 0.98 0.00 0.00 173.24 173.19 2uwe s SER 95 N -1.20 -0.06 0.17 7.02 1.04 -0.48 -0.65 113.70 119.53 2uwe s SER 95 Ca -0.13 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 55.78 2uwe s SER 95 Cb -0.07 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.47 2uwe s SER 95 CO 0.01 -0.82 0.00 -0.90 0.98 0.00 0.00 173.24 172.51 2uwe n ASP 96 N -0.16 0.00 -0.16 7.02 5.68 -1.26 -2.34 116.55 125.32 2uwe n ASP 96 Ca -0.14 -0.34 0.28 0.00 -0.50 0.00 0.00 54.79 54.08 2uwe n ASP 96 Cb 0.63 0.00 0.72 0.00 -1.14 0.00 0.00 41.12 41.33 2uwe n ASP 96 CO 0.00 0.00 0.00 4.11 -1.33 0.00 0.00 177.20 179.98 2uwe h TRP 97 N -0.17 0.01 -0.21 2.11 5.08 -1.98 -3.08 115.95 117.71 2uwe h TRP 97 Ca 0.00 0.00 -0.66 0.00 1.08 0.00 0.00 58.89 59.31 2uwe h TRP 97 Cb 0.00 -0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.13 2uwe h TRP 97 CO 0.00 0.00 2.61 0.28 -1.28 0.00 0.00 178.44 180.05 2uwe n VAL 98 N -4.28 3.09 1.93 0.12 0.31 -1.26 -4.77 118.33 113.47 2uwe n VAL 98 Ca 0.18 -2.86 0.03 0.00 -0.01 0.00 0.00 64.34 61.68 2uwe n VAL 98 Cb 0.92 -2.46 0.18 0.00 -0.91 0.00 0.00 33.84 31.58 2uwe n VAL 98 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2uwe n SER 99 N 7.51 0.12 0.07 4.52 3.41 -1.17 -1.97 113.62 126.12 2uwe n SER 99 Ca 0.50 -1.82 0.11 0.00 -0.26 0.00 0.00 58.87 57.41 2uwe n SER 99 Cb 0.41 -0.01 0.02 0.00 -0.26 0.00 0.00 64.21 64.37 2uwe n SER 99 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2uwe n TYR 100 N -0.52 0.62 -3.11 7.33 0.18 -1.26 -4.52 117.16 115.87 2uwe n TYR 100 Ca 0.05 0.18 -0.45 0.00 1.88 0.00 0.00 57.90 59.56 2uwe n TYR 100 Cb 0.04 -0.73 -0.02 0.00 -0.38 0.00 0.00 39.34 38.25 2uwe n TYR 100 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 2uwe s GLU 105 N -3.30 3.59 -0.12 -3.48 2.02 -0.83 -5.03 118.70 111.53 2uwe s GLU 105 Ca 0.01 -2.07 -0.04 0.00 0.02 0.00 0.00 54.97 52.89 2uwe s GLU 105 Cb 0.12 -4.68 -0.03 0.00 0.10 0.00 0.00 34.13 29.64 2uwe s GLU 105 CO 0.79 -1.55 0.02 -0.65 0.02 0.00 0.00 175.26 173.89 2uwe s GLN 106 N 1.55 3.39 -0.24 1.61 -0.21 -1.26 -4.60 119.66 119.89 2uwe s GLN 106 Ca 0.25 -0.39 -0.07 0.00 0.02 0.00 0.00 55.36 55.18 2uwe s GLN 106 Cb -0.08 -2.95 -0.03 0.00 1.00 0.00 0.00 33.01 30.96 2uwe s GLN 106 CO -0.09 0.52 0.05 0.71 -2.12 0.00 0.00 175.29 174.37 2uwe s TYR 107 N -0.37 3.07 0.15 0.91 1.51 0.17 -4.89 117.35 117.90 2uwe s TYR 107 Ca 0.08 -0.47 -0.06 0.00 -1.01 0.00 0.00 57.07 55.61 2uwe s TYR 107 Cb -0.12 -2.21 -0.06 0.00 -0.11 0.00 0.00 41.96 39.46 2uwe s TYR 107 CO 0.02 -0.36 0.40 -0.06 -1.11 0.00 0.00 175.55 174.44 2uwe s PHE 108 N 1.55 3.47 0.85 2.71 0.40 -1.26 -0.83 117.98 124.87 2uwe s PHE 108 Ca 0.06 0.61 -0.12 0.00 -0.60 0.00 0.00 56.93 56.88 2uwe s PHE 108 Cb -0.15 -2.05 0.12 0.00 0.51 0.00 0.00 43.02 41.46 2uwe s PHE 108 CO 0.03 0.41 1.20 0.20 0.70 0.00 0.00 175.22 177.76 2uwe s GLY 109 N -2.39 1.68 0.48 4.36 0.00 0.21 -4.48 107.32 107.17 2uwe s GLY 109 Ca 0.41 -0.93 0.23 0.00 0.00 0.00 0.00 44.72 44.43 2uwe s GLY 109 CO 0.24 -0.35 1.99 -0.56 0.00 0.00 0.00 173.10 174.42 2uwe h PRO 110 N -1.18 0.00 0.00 2.90 0.13 -1.89 -3.43 132.00 128.53 2uwe h PRO 110 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2uwe h PRO 110 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2uwe h PRO 110 CO 0.54 0.18 0.00 0.41 -0.23 0.00 0.00 178.00 178.90 2uwe n GLY 111 N -0.61 2.67 2.94 1.56 0.00 -1.26 -5.05 105.19 105.45 2uwe n GLY 111 Ca -0.02 -1.79 -0.29 0.00 0.00 0.00 0.00 46.02 43.92 2uwe n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2uwe s THR 112 N -2.26 1.33 -0.33 2.61 2.01 0.09 -4.70 115.64 114.39 2uwe s THR 112 Ca 0.00 -0.69 -0.27 0.00 0.31 0.00 0.00 61.69 61.04 2uwe s THR 112 Cb 0.00 -1.41 0.01 0.00 0.01 0.00 0.00 72.50 71.11 2uwe s THR 112 CO 0.00 0.23 0.96 -0.13 -0.69 0.00 0.00 174.62 174.99 2uwe s ARG 113 N 1.55 3.99 -0.11 4.92 0.52 -0.86 -0.65 118.95 128.31 2uwe s ARG 113 Ca 0.01 0.82 0.03 0.00 -0.52 0.00 0.00 55.73 56.08 2uwe s ARG 113 Cb -0.15 -3.75 0.00 0.00 0.52 0.00 0.00 34.95 31.58 2uwe s ARG 113 CO -0.08 -0.85 -0.22 -1.17 0.02 0.00 0.00 175.30 173.00 2uwe s LEU 114 N 3.41 2.04 -0.12 2.53 2.96 -0.53 -1.20 118.68 127.76 2uwe s LEU 114 Ca 0.40 -0.54 0.02 0.00 -0.22 0.00 0.00 54.13 53.79 2uwe s LEU 114 Cb -0.13 -1.36 0.01 0.00 0.50 0.00 0.00 46.19 45.22 2uwe s LEU 114 CO 0.15 0.12 -0.18 -0.89 -1.32 0.00 0.00 176.35 174.24 2uwe s THR 115 N 0.52 1.70 -0.19 3.68 2.01 -0.76 -1.63 115.64 120.97 2uwe s THR 115 Ca -0.15 -0.76 -0.08 0.00 0.31 0.00 0.00 61.69 61.01 2uwe s THR 115 Cb -0.17 -1.53 -0.04 0.00 0.01 0.00 0.00 72.50 70.77 2uwe s THR 115 CO 0.05 0.48 0.07 -0.69 -0.69 0.00 0.00 174.62 173.85 2uwe s VAL 116 N 0.93 4.88 0.21 3.82 1.01 -1.26 -1.37 120.40 128.62 2uwe s VAL 116 Ca -0.07 0.00 0.10 0.00 0.00 0.00 0.00 61.98 62.02 2uwe s VAL 116 Cb -0.15 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 2uwe s VAL 116 CO -0.02 0.45 -0.20 -0.76 0.00 0.00 0.00 175.10 174.57 2uwe s LEU 116 N 0.39 2.49 0.14 3.92 1.43 0.50 -4.68 118.68 122.87 2uwe s LEU 116 Ca 0.04 -0.92 -0.11 0.00 -1.03 0.00 0.00 54.13 52.10 2uwe s LEU 116 Cb -0.12 -1.00 -0.02 0.00 0.03 0.00 0.00 46.19 45.08 2uwe s LEU 116 CO -0.00 0.02 1.52 -0.33 0.23 0.00 0.00 176.35 177.79 2uwe h GLU 117 N 2.93 0.92 -3.34 1.70 5.08 -1.95 0.94 114.58 120.87 2uwe h GLU 117 Ca -0.43 -0.41 -0.10 0.00 -1.00 0.00 0.00 59.36 57.42 2uwe h GLU 117 Cb 1.22 -0.02 -0.17 0.00 0.50 0.00 0.00 28.75 30.28 2uwe h GLU 117 CO 0.53 1.07 -0.29 0.16 -1.00 0.00 0.00 179.01 179.49 2uwe s ASP 118 N -6.67 -0.09 0.00 1.42 1.47 -1.26 -4.44 116.67 107.10 2uwe s ASP 118 Ca -0.12 -0.20 0.31 0.00 1.18 0.00 0.00 52.55 53.72 2uwe s ASP 118 Cb 0.11 0.34 1.72 0.00 -0.34 0.00 0.00 42.92 44.74 2uwe s ASP 118 CO 0.86 -0.58 2.13 0.18 0.68 0.00 0.00 175.17 178.44 2uwe n LEU 119 N 0.68 0.08 0.26 2.11 4.77 -1.26 -4.00 117.00 119.65 2uwe n LEU 119 Ca -0.19 0.07 0.12 0.00 -0.03 0.00 0.00 56.01 55.99 2uwe n LEU 119 Cb 0.59 -0.10 0.70 0.00 -2.33 0.00 0.00 43.42 42.28 2uwe n LEU 119 CO 0.21 0.01 0.96 0.03 -1.33 0.00 0.00 177.39 177.28 2uwe h ARG 120 N 0.12 0.00 0.00 3.23 3.08 -1.98 -2.82 114.38 116.02 2uwe h ARG 120 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2uwe h ARG 120 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 2uwe h ARG 120 CO 0.00 0.13 -0.22 0.09 -1.07 0.00 0.00 179.97 178.90 2uwe n ASN 121 N -3.62 0.50 -4.68 7.04 3.02 -1.26 -4.84 115.26 111.43 2uwe n ASN 121 Ca -0.02 0.32 -0.42 0.00 -0.03 0.00 0.00 54.58 54.43 2uwe n ASN 121 Cb 0.26 -0.33 -0.03 0.00 -0.61 0.00 0.00 39.78 39.07 2uwe n ASN 121 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2uwe s VAL 122 N -3.07 3.14 -0.04 2.41 1.01 -1.07 -4.56 120.40 118.23 2uwe s VAL 122 Ca 0.11 0.45 -0.02 0.00 0.00 0.00 0.00 61.98 62.51 2uwe s VAL 122 Cb 0.15 -3.29 0.02 0.00 0.00 0.00 0.00 36.38 33.27 2uwe s VAL 122 CO 0.62 -0.02 0.09 -0.89 0.00 0.00 0.00 175.10 174.91 2uwe s THR 123 N 3.28 -0.03 0.74 3.92 2.01 -0.39 -4.76 115.64 120.41 2uwe s THR 123 Ca 0.76 0.11 -0.11 0.00 0.31 0.00 0.00 61.69 62.77 2uwe s THR 123 Cb -0.39 -0.15 0.04 0.00 0.01 0.00 0.00 72.50 72.01 2uwe s THR 123 CO 0.33 0.05 1.09 -2.84 -0.69 0.00 0.00 174.62 172.56 2uwe s PRO 124 N 0.68 2.46 0.59 4.92 0.02 -1.26 -1.77 135.00 140.64 2uwe s PRO 124 Ca -0.05 1.15 -0.15 0.00 0.02 0.00 0.00 61.00 61.97 2uwe s PRO 124 Cb -0.07 -1.92 -0.04 0.00 0.02 0.00 0.00 34.50 32.49 2uwe s PRO 124 CO -0.03 -1.49 1.05 -1.25 -0.33 0.00 0.00 177.00 174.95 2uwe s PRO 125 N -4.83 3.38 -0.28 5.54 0.04 -1.26 -4.28 135.00 133.31 2uwe s PRO 125 Ca 0.61 1.13 -0.10 0.00 0.04 0.00 0.00 61.00 62.69 2uwe s PRO 125 Cb -0.17 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 2uwe s PRO 125 CO 0.54 -0.76 0.16 0.15 0.04 0.00 0.00 177.00 177.13 2uwe s LYS 126 N -4.19 3.78 -0.24 4.56 1.02 0.05 -4.93 119.74 119.79 2uwe s LYS 126 Ca 0.62 -0.42 -0.10 0.00 0.02 0.00 0.00 55.97 56.09 2uwe s LYS 126 Cb -0.15 -3.57 -0.05 0.00 -0.52 0.00 0.00 37.83 33.55 2uwe s LYS 126 CO 0.38 -0.22 0.14 0.08 -0.92 0.00 0.00 175.35 174.81 2uwe s VAL 127 N 1.70 5.16 -0.03 3.17 1.01 -1.26 -2.00 120.40 128.15 2uwe s VAL 127 Ca 0.07 0.11 0.07 0.00 0.00 0.00 0.00 61.98 62.22 2uwe s VAL 127 Cb -0.16 -3.40 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 2uwe s VAL 127 CO 0.08 0.35 -0.24 -0.44 0.00 0.00 0.00 175.10 174.85 2uwe s SER 128 N 1.07 2.92 -0.31 3.32 0.01 -0.02 -4.57 113.70 116.12 2uwe s SER 128 Ca 0.07 -0.46 -0.04 0.00 1.31 0.00 0.00 55.95 56.83 2uwe s SER 128 Cb -0.14 -0.51 0.04 0.00 0.21 0.00 0.00 66.02 65.62 2uwe s SER 128 CO 0.04 0.28 0.03 -0.22 0.41 0.00 0.00 173.24 173.78 2uwe s LEU 129 N -0.41 3.93 -0.22 2.44 2.96 -1.26 -0.75 118.68 125.37 2uwe s LEU 129 Ca 0.04 -1.13 -0.19 0.00 -0.22 0.00 0.00 54.13 52.64 2uwe s LEU 129 Cb -0.11 -1.77 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 2uwe s LEU 129 CO 0.01 -0.26 0.55 -0.36 -1.32 0.00 0.00 176.35 174.97 2uwe s PHE 130 N 1.33 3.33 0.49 5.38 0.40 0.38 -4.98 117.98 124.31 2uwe s PHE 130 Ca -0.03 0.77 -0.19 0.00 -0.60 0.00 0.00 56.93 56.89 2uwe s PHE 130 Cb -0.19 -2.73 -0.09 0.00 0.51 0.00 0.00 43.02 40.52 2uwe s PHE 130 CO 0.00 -0.19 0.99 -1.21 0.70 0.00 0.00 175.22 175.51 2uwe s GLU 131 N 1.97 3.94 0.68 0.44 2.02 -1.26 -1.80 118.70 124.69 2uwe s GLU 131 Ca 0.24 1.14 -0.17 0.00 0.02 0.00 0.00 54.97 56.20 2uwe s GLU 131 Cb -0.16 -2.13 0.00 0.00 0.10 0.00 0.00 34.13 31.94 2uwe s GLU 131 CO 0.09 -0.28 1.19 -2.30 0.02 0.00 0.00 175.26 173.98 2uwe n PRO 132 N -1.15 0.87 -2.41 0.39 -0.02 -1.25 -4.89 135.00 126.53 2uwe n PRO 132 Ca 0.08 0.35 -0.42 0.00 -2.02 0.00 0.00 63.50 61.49 2uwe n PRO 132 Cb 0.54 -2.43 -0.03 0.00 -0.02 0.00 0.00 33.50 31.55 2uwe n PRO 132 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2uwe s SER 133 N -1.51 7.07 0.40 2.55 0.15 -1.26 -4.94 113.70 116.17 2uwe s SER 133 Ca 0.79 2.06 0.13 0.00 0.70 0.00 0.00 55.95 59.64 2uwe s SER 133 Cb -0.37 -2.58 0.83 0.00 -1.71 0.00 0.00 66.02 62.19 2uwe s SER 133 CO 0.44 -0.46 1.90 0.11 1.20 0.00 0.00 173.24 176.43 2uwe h LYS 134 N 6.55 0.02 -0.50 5.44 1.57 -1.97 -2.23 116.57 125.44 2uwe h LYS 134 Ca -0.42 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.31 2uwe h LYS 134 Cb 1.21 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.50 2uwe h LYS 134 CO 0.80 0.30 0.14 0.00 -0.57 0.00 0.00 179.45 180.12 2uwe h ALA 135 N 1.70 1.31 -0.27 3.86 0.00 -1.98 -1.69 119.26 122.19 2uwe h ALA 135 Ca 0.00 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 2uwe h ALA 135 Cb 0.51 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2uwe h ALA 135 CO 0.04 0.49 -0.27 1.49 0.00 0.00 0.00 179.25 181.00 2uwe h GLU 136 N 0.73 0.66 -0.69 0.00 4.81 -1.72 -2.36 114.58 116.00 2uwe h GLU 136 Ca 0.17 -0.35 -0.06 0.00 -0.13 0.00 0.00 59.36 58.99 2uwe h GLU 136 Cb 0.24 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 2uwe h GLU 136 CO -0.01 0.95 0.21 0.82 -0.73 0.00 0.00 179.01 180.26 2uwe h ILE 137 N 0.38 1.25 -0.08 2.32 2.04 -1.30 -0.56 117.51 121.57 2uwe h ILE 137 Ca 0.04 -0.89 -0.21 0.00 1.00 0.00 0.00 64.86 64.81 2uwe h ILE 137 Cb 0.84 0.50 0.01 0.00 -0.74 0.00 0.00 36.82 37.42 2uwe h ILE 137 CO 0.07 0.35 -0.76 0.00 0.00 0.00 0.00 178.15 177.80 2uwe h ALA 138 N 1.19 0.20 0.11 1.87 0.00 -1.34 -2.79 119.26 118.50 2uwe h ALA 138 Ca 0.22 -0.60 -0.32 0.00 0.00 0.00 0.00 54.91 54.22 2uwe h ALA 138 Cb 0.30 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2uwe h ALA 138 CO -0.01 0.57 -1.65 -0.91 0.00 0.00 0.00 179.25 177.25 2uwe h ASN 139 N 0.33 0.36 -0.00 0.00 2.35 -1.38 -3.40 115.58 113.84 2uwe h ASN 139 Ca -0.07 -0.57 0.00 0.00 -0.55 0.00 0.00 56.30 55.11 2uwe h ASN 139 Cb 1.41 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.67 2uwe h ASN 139 CO 0.15 1.48 -0.24 0.29 -1.65 0.00 0.00 177.43 177.47 2uwe n LYS 140 N -3.41 3.66 -2.97 0.81 5.02 -0.22 -5.00 118.16 116.04 2uwe n LYS 140 Ca -0.20 -0.23 -0.22 0.00 -2.02 0.00 0.00 58.31 55.64 2uwe n LYS 140 Cb 1.05 -0.89 0.03 0.00 -0.02 0.00 0.00 35.03 35.19 2uwe n LYS 140 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2uwe n GLN 141 N -0.78 -4.50 -4.00 1.97 3.00 -1.05 -4.99 117.38 107.03 2uwe n GLN 141 Ca 0.02 0.90 -0.09 0.00 -0.01 0.00 0.00 57.00 57.82 2uwe n GLN 141 Cb 0.12 -5.74 -0.11 0.00 0.00 0.00 0.00 30.24 24.52 2uwe n GLN 141 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 2uwe s LYS 142 N -5.65 0.36 -0.15 -1.09 1.02 -1.25 -1.50 119.74 111.47 2uwe s LYS 142 Ca 0.28 -0.69 -0.00 0.00 0.02 0.00 0.00 55.97 55.57 2uwe s LYS 142 Cb -0.12 0.10 0.04 0.00 -0.52 0.00 0.00 37.83 37.32 2uwe s LYS 142 CO 0.34 -0.05 -0.06 0.00 -0.92 0.00 0.00 175.35 174.66 2uwe s ALA 143 N -1.75 1.47 -0.37 5.17 0.00 0.60 -2.98 121.76 123.90 2uwe s ALA 143 Ca -0.13 -0.78 -0.15 0.00 0.00 0.00 0.00 51.96 50.91 2uwe s ALA 143 Cb -0.08 -1.08 -0.00 0.00 0.00 0.00 0.00 23.12 21.96 2uwe s ALA 143 CO -0.02 -0.69 0.32 0.99 0.00 0.00 0.00 175.76 176.36 2uwe s THR 144 N 1.64 5.21 0.10 0.00 2.01 -1.26 -1.26 115.64 122.08 2uwe s THR 144 Ca 0.02 -0.27 -0.16 0.00 0.31 0.00 0.00 61.69 61.59 2uwe s THR 144 Cb -0.15 -3.85 -0.07 0.00 0.01 0.00 0.00 72.50 68.44 2uwe s THR 144 CO -0.08 -0.18 0.54 -0.76 -0.69 0.00 0.00 174.62 173.45 2uwe s LEU 145 N 1.87 4.42 -0.14 4.42 1.02 0.24 -3.83 118.68 126.68 2uwe s LEU 145 Ca 0.08 1.12 0.02 0.00 0.02 0.00 0.00 54.13 55.38 2uwe s LEU 145 Cb -0.17 -3.06 0.01 0.00 0.02 0.00 0.00 46.19 42.99 2uwe s LEU 145 CO 0.11 0.19 -0.20 -0.69 0.02 0.00 0.00 176.35 175.78 2uwe s VAL 146 N -1.30 1.91 -0.13 -1.59 1.01 -0.75 -0.99 120.40 118.57 2uwe s VAL 146 Ca 0.33 -0.89 -0.14 0.00 0.00 0.00 0.00 61.98 61.28 2uwe s VAL 146 Cb -0.17 -1.71 -0.05 0.00 0.00 0.00 0.00 36.38 34.46 2uwe s VAL 146 CO 0.18 0.52 0.33 0.00 0.00 0.00 0.00 175.10 176.13 2uwe s LEU 148 N 0.22 1.28 -0.21 0.00 2.96 0.07 -1.45 118.68 121.55 2uwe s LEU 148 Ca 0.19 -0.43 -0.06 0.00 -0.22 0.00 0.00 54.13 53.61 2uwe s LEU 148 Cb -0.14 -0.82 -0.03 0.00 0.50 0.00 0.00 46.19 45.70 2uwe s LEU 148 CO 0.06 -0.15 0.03 0.00 -1.32 0.00 0.00 176.35 174.96 2uwe s ALA 149 N 1.71 3.12 0.21 5.97 0.00 0.38 -0.84 121.76 132.30 2uwe s ALA 149 Ca 0.03 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 51.02 2uwe s ALA 149 Cb -0.14 -1.88 -0.05 0.00 0.00 0.00 0.00 23.12 21.06 2uwe s ALA 149 CO -0.08 -0.20 0.02 1.03 0.00 0.00 0.00 175.76 176.53 2uwe s ARG 150 N 1.08 1.25 -0.84 0.00 0.52 -0.85 -0.76 118.95 119.36 2uwe s ARG 150 Ca 0.03 -1.63 0.00 0.00 -0.52 0.00 0.00 55.73 53.61 2uwe s ARG 150 Cb -0.14 -0.40 0.00 0.00 0.52 0.00 0.00 34.95 34.93 2uwe s ARG 150 CO 0.02 -0.15 0.00 0.41 0.02 0.00 0.00 175.30 175.60 2uwe n GLY 151 N -0.35 0.58 3.53 -3.53 0.00 -1.07 -0.77 105.19 103.58 2uwe n GLY 151 Ca -0.05 -0.59 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 2uwe n GLY 151 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2uwe s PHE 152 N -2.37 2.86 -0.01 1.61 -0.12 -1.23 -4.61 117.98 114.11 2uwe s PHE 152 Ca 0.00 -0.10 0.00 0.00 -0.05 0.00 0.00 56.93 56.79 2uwe s PHE 152 Cb 0.00 -1.71 0.01 0.00 -0.63 0.00 0.00 43.02 40.69 2uwe s PHE 152 CO 0.00 0.23 -0.01 0.12 -0.05 0.00 0.00 175.22 175.51 2uwe s PHE 153 N -0.64 0.19 0.00 3.49 5.36 -0.73 -0.77 117.98 124.88 2uwe s PHE 153 Ca 0.09 -0.01 0.00 0.00 -0.96 0.00 0.00 56.93 56.06 2uwe s PHE 153 Cb -0.11 -0.19 0.00 0.00 -0.34 0.00 0.00 43.02 42.37 2uwe s PHE 153 CO 0.01 -0.04 0.00 -2.30 -1.46 0.00 0.00 175.22 171.43 2uwe n PRO 154 N 3.41 -0.29 -1.29 10.12 -0.02 -1.26 -1.26 135.00 144.41 2uwe n PRO 154 Ca -0.17 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.01 2uwe n PRO 154 Cb 0.56 0.00 0.12 0.00 -0.02 0.00 0.00 33.50 34.17 2uwe n PRO 154 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2uwe n ASP 155 N -1.88 5.91 -4.17 2.55 5.75 -1.26 -4.82 116.55 118.63 2uwe n ASP 155 Ca 0.00 -3.71 -0.43 0.00 -0.01 0.00 0.00 54.79 50.63 2uwe n ASP 155 Cb 0.00 -0.91 0.00 0.00 -1.03 0.00 0.00 41.12 39.19 2uwe n ASP 155 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2uwe n HIS 156 N -1.02 3.98 -4.21 2.11 8.25 -1.26 -4.93 115.22 118.13 2uwe n HIS 156 Ca 0.61 -3.07 -0.19 0.00 -0.26 0.00 0.00 57.72 54.81 2uwe n HIS 156 Cb 1.10 -2.09 -0.12 0.00 1.12 0.00 0.00 29.99 30.00 2uwe n HIS 156 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2uwe s VAL 157 N 1.10 1.26 -0.08 1.59 -7.23 -1.26 -0.40 120.40 115.39 2uwe s VAL 157 Ca 0.42 -1.53 -0.00 0.00 -1.81 0.00 0.00 61.98 59.06 2uwe s VAL 157 Cb 0.04 -1.34 0.02 0.00 0.56 0.00 0.00 36.38 35.66 2uwe s VAL 157 CO 0.00 -0.31 -0.04 -1.61 -0.31 0.00 0.00 175.10 172.83 2uwe s GLU 158 N -2.22 1.03 -0.14 4.82 2.02 -0.20 -4.96 118.70 119.04 2uwe s GLU 158 Ca 0.04 -0.10 -0.06 0.00 0.02 0.00 0.00 54.97 54.87 2uwe s GLU 158 Cb -0.07 -1.15 -0.04 0.00 0.10 0.00 0.00 34.13 32.97 2uwe s GLU 158 CO 0.03 -0.20 0.06 -1.17 0.02 0.00 0.00 175.26 174.00 2uwe s LEU 159 N 1.49 3.89 0.06 1.80 0.20 -1.26 0.09 118.68 124.95 2uwe s LEU 159 Ca -0.01 0.20 0.02 0.00 0.69 0.00 0.00 54.13 55.02 2uwe s LEU 159 Cb -0.13 -1.95 -0.03 0.00 -0.43 0.00 0.00 46.19 43.65 2uwe s LEU 159 CO -0.04 0.29 -0.07 -0.94 -0.29 0.00 0.00 176.35 175.30 2uwe s SER 160 N -0.34 0.92 -0.00 3.68 1.04 0.92 -5.00 113.70 114.92 2uwe s SER 160 Ca 0.09 -0.72 0.02 0.00 0.48 0.00 0.00 55.95 55.83 2uwe s SER 160 Cb -0.12 0.06 -0.03 0.00 0.10 0.00 0.00 66.02 66.03 2uwe s SER 160 CO 0.02 -0.31 -0.04 0.26 0.98 0.00 0.00 173.24 174.15 2uwe s TRP 161 N -2.22 2.96 -0.16 5.02 0.52 -1.26 -0.01 118.94 123.80 2uwe s TRP 161 Ca -0.02 0.01 -0.02 0.00 0.02 0.00 0.00 56.10 56.09 2uwe s TRP 161 Cb -0.04 -1.64 0.05 0.00 -1.15 0.00 0.00 33.47 30.69 2uwe s TRP 161 CO -0.02 0.41 0.01 -1.58 0.02 0.00 0.00 176.95 175.79 2uwe s TRP 162 N -1.02 1.07 -0.20 -1.98 0.52 0.20 -2.13 118.94 115.40 2uwe s TRP 162 Ca 0.18 -0.73 -0.02 0.00 0.02 0.00 0.00 56.10 55.54 2uwe s TRP 162 Cb -0.11 -1.03 0.00 0.00 -1.15 0.00 0.00 33.47 31.18 2uwe s TRP 162 CO 0.08 -0.54 -0.10 0.08 0.02 0.00 0.00 176.95 176.49 2uwe s VAL 163 N 1.84 2.89 -1.49 4.03 1.01 0.30 -1.03 120.40 127.95 2uwe s VAL 163 Ca 0.01 -0.66 -0.06 0.00 0.00 0.00 0.00 61.98 61.27 2uwe s VAL 163 Cb -0.16 -2.28 0.02 0.00 0.00 0.00 0.00 36.38 33.96 2uwe s VAL 163 CO -0.07 0.47 0.69 0.59 0.00 0.00 0.00 175.10 176.77 2uwe n ASN 164 N 4.70 -5.76 0.00 3.32 3.02 -0.66 -2.16 115.26 117.73 2uwe n ASN 164 Ca -0.19 -0.36 0.00 0.00 -0.03 0.00 0.00 54.58 54.00 2uwe n ASN 164 Cb 0.51 -4.64 0.00 0.00 -0.61 0.00 0.00 39.78 35.03 2uwe n ASN 164 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2uwe n GLY 165 N -1.55 0.83 3.34 7.41 0.00 -1.26 -5.04 105.19 108.93 2uwe n GLY 165 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 2uwe n GLY 165 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2uwe s LYS 166 N -0.17 1.92 0.07 1.61 1.02 -0.92 -5.10 119.74 118.17 2uwe s LYS 166 Ca 0.00 -1.04 -0.30 0.00 0.02 0.00 0.00 55.97 54.64 2uwe s LYS 166 Cb 0.00 -2.01 -0.05 0.00 -0.52 0.00 0.00 37.83 35.25 2uwe s LYS 166 CO 0.00 0.53 1.16 -2.00 -0.92 0.00 0.00 175.35 174.12 2uwe s GLU 167 N -1.03 4.47 0.08 1.68 2.12 -1.26 -0.54 118.70 124.22 2uwe s GLU 167 Ca 0.11 1.71 0.05 0.00 0.36 0.00 0.00 54.97 57.21 2uwe s GLU 167 Cb -0.10 -3.35 -0.04 0.00 0.26 0.00 0.00 34.13 30.90 2uwe s GLU 167 CO 0.01 -0.19 -0.04 0.14 -0.54 0.00 0.00 175.26 174.64 2uwe s VAL 168 N 0.89 3.76 0.00 3.70 -7.23 -0.91 -4.93 120.40 115.69 2uwe s VAL 168 Ca 0.57 -1.05 0.00 0.00 -1.81 0.00 0.00 61.98 59.69 2uwe s VAL 168 Cb -0.28 -2.76 0.00 0.00 0.56 0.00 0.00 36.38 33.90 2uwe s VAL 168 CO 0.30 0.16 0.00 1.41 -0.31 0.00 0.00 175.10 176.65 2uwe n HIS 169 N 0.75 0.00 -2.67 2.82 8.25 -1.26 -4.46 115.22 118.65 2uwe n HIS 169 Ca -0.12 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.93 2uwe n HIS 169 Cb 0.52 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.59 2uwe n HIS 169 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2uwe s SER 170 N -2.90 7.45 0.00 0.41 0.15 -1.26 -3.24 113.70 114.30 2uwe s SER 170 Ca 0.00 1.90 0.00 0.00 0.70 0.00 0.00 55.95 58.55 2uwe s SER 170 Cb 0.00 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 2uwe s SER 170 CO 0.00 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 174.96 2uwe n GLY 171 N 2.12 0.59 3.59 9.45 0.00 -1.26 -4.92 105.19 114.75 2uwe n GLY 171 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 2uwe n GLY 171 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2uwe s VAL 172 N -2.01 3.95 -0.28 1.61 1.01 -1.20 -1.49 120.40 121.98 2uwe s VAL 172 Ca 0.00 -0.37 -0.02 0.00 0.00 0.00 0.00 61.98 61.59 2uwe s VAL 172 Cb 0.00 -2.66 0.12 0.00 0.00 0.00 0.00 36.38 33.83 2uwe s VAL 172 CO 0.00 0.57 0.21 -0.55 0.00 0.00 0.00 175.10 175.33 2uwe s SER 173 N -0.48 2.52 -0.06 3.32 0.15 -0.62 -4.97 113.70 113.56 2uwe s SER 173 Ca 0.08 -0.96 -0.03 0.00 0.70 0.00 0.00 55.95 55.73 2uwe s SER 173 Cb -0.12 0.09 -0.04 0.00 -1.71 0.00 0.00 66.02 64.24 2uwe s SER 173 CO 0.02 -0.41 0.10 -0.89 1.20 0.00 0.00 173.24 173.26 2uwe s THR 174 N 2.24 4.97 0.06 6.45 2.01 -1.26 -0.97 115.64 129.14 2uwe s THR 174 Ca 0.09 -0.16 -0.36 0.00 0.31 0.00 0.00 61.69 61.58 2uwe s THR 174 Cb -0.15 -3.21 -0.15 0.00 0.01 0.00 0.00 72.50 69.00 2uwe s THR 174 CO -0.33 0.48 1.55 0.47 -0.69 0.00 0.00 174.62 176.10 2uwe n ASP 175 N 1.59 2.56 -0.36 3.53 8.00 -0.44 -4.89 116.55 126.54 2uwe n ASP 175 Ca -0.16 1.08 0.00 0.00 0.71 0.00 0.00 54.79 56.42 2uwe n ASP 175 Cb 0.54 -1.31 0.14 0.00 -0.02 0.00 0.00 41.12 40.47 2uwe n ASP 175 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2uwe h PRO 176 N 5.99 1.19 -5.42 -0.24 0.13 -1.97 -3.43 132.00 128.25 2uwe h PRO 176 Ca -0.46 -0.07 -0.48 0.00 -0.87 0.00 0.00 66.00 64.11 2uwe h PRO 176 Cb 1.29 -0.27 -0.27 0.00 0.13 0.00 0.00 31.00 31.89 2uwe h PRO 176 CO 0.86 0.79 -0.81 -0.65 -0.23 0.00 0.00 178.00 177.96 2uwe s GLN 177 N -6.08 1.08 0.53 0.86 -0.21 -1.26 -5.14 119.66 109.44 2uwe s GLN 177 Ca -0.13 -0.69 -0.20 0.00 0.02 0.00 0.00 55.36 54.36 2uwe s GLN 177 Cb 0.19 -1.09 -0.06 0.00 1.00 0.00 0.00 33.01 33.05 2uwe s GLN 177 CO 0.81 0.28 1.15 0.00 -2.12 0.00 0.00 175.29 175.41 2uwe s ALA 178 N -0.65 2.73 -0.22 6.09 0.00 -1.26 -4.97 121.76 123.48 2uwe s ALA 178 Ca 0.04 0.87 -0.09 0.00 0.00 0.00 0.00 51.96 52.78 2uwe s ALA 178 Cb -0.07 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 2uwe s ALA 178 CO 0.01 -0.79 0.11 0.71 0.00 0.00 0.00 175.76 175.80 2uwe s TYR 179 N -1.71 3.26 -0.58 0.00 2.02 0.22 -4.87 117.35 115.69 2uwe s TYR 179 Ca 0.72 0.07 -0.28 0.00 -0.37 0.00 0.00 57.07 57.21 2uwe s TYR 179 Cb -0.26 -2.20 0.02 0.00 -0.40 0.00 0.00 41.96 39.13 2uwe s TYR 179 CO 0.29 0.03 1.28 0.21 -1.57 0.00 0.00 175.55 175.79 2uwe s LYS 180 N 0.91 3.42 -0.07 -0.62 2.20 -1.26 0.79 119.74 125.10 2uwe s LYS 180 Ca 0.06 0.31 -0.13 0.00 -0.36 0.00 0.00 55.97 55.84 2uwe s LYS 180 Cb -0.13 -4.07 -0.30 0.00 -1.51 0.00 0.00 37.83 31.82 2uwe s LYS 180 CO 0.03 -1.80 0.64 1.05 -0.36 0.00 0.00 175.35 174.91 2uwe h GLU 181 N 10.15 0.35 -5.20 4.03 4.11 -1.46 -3.48 114.58 123.08 2uwe h GLU 181 Ca -0.26 -0.59 -0.54 0.00 0.07 0.00 0.00 59.36 58.04 2uwe h GLU 181 Cb 1.07 0.22 -0.13 0.00 0.50 0.00 0.00 28.75 30.41 2uwe h GLU 181 CO 1.19 1.28 -0.56 0.45 0.07 0.00 0.00 179.01 181.44 2uwe s SER 182 N -7.21 2.88 0.42 3.06 0.15 -1.03 -4.99 113.70 106.99 2uwe s SER 182 Ca -0.17 -1.51 0.09 0.00 0.70 0.00 0.00 55.95 55.06 2uwe s SER 182 Cb 0.05 0.16 0.92 0.00 -1.71 0.00 0.00 66.02 65.44 2uwe s SER 182 CO 0.83 -0.73 2.05 -1.13 1.20 0.00 0.00 173.24 175.45 2uwe h ASN 186 N 1.87 0.34 -0.12 5.45 -0.73 -2.02 -2.87 115.58 117.50 2uwe h ASN 186 Ca -0.40 -0.02 -0.07 0.00 1.87 0.00 0.00 56.30 57.68 2uwe h ASN 186 Cb 1.26 -0.09 -0.05 0.00 0.27 0.00 0.00 38.32 39.72 2uwe h ASN 186 CO 0.67 0.29 -0.41 -1.22 -0.37 0.00 0.00 177.43 176.40 2uwe n TYR 187 N -4.45 0.40 -3.71 0.67 4.01 -1.26 -4.99 117.16 107.82 2uwe n TYR 187 Ca 0.01 -1.57 -0.15 0.00 -0.16 0.00 0.00 57.90 56.04 2uwe n TYR 187 Cb 0.10 -0.32 -0.15 0.00 -0.31 0.00 0.00 39.34 38.66 2uwe n TYR 187 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2uwe s SER 189 N -3.08 0.23 0.25 7.72 0.15 -1.08 -4.33 113.70 113.55 2uwe s SER 189 Ca 0.40 0.32 0.09 0.00 0.70 0.00 0.00 55.95 57.46 2uwe s SER 189 Cb 0.38 0.24 -0.04 0.00 -1.71 0.00 0.00 66.02 64.89 2uwe s SER 189 CO -0.05 -0.19 0.03 -0.31 1.20 0.00 0.00 173.24 173.93 2uwe s TYR 190 N 1.64 2.80 0.01 3.44 1.51 0.05 -1.15 117.35 125.65 2uwe s TYR 190 Ca -0.04 -0.18 0.02 0.00 -1.01 0.00 0.00 57.07 55.85 2uwe s TYR 190 Cb -0.12 -1.27 -0.01 0.00 -0.11 0.00 0.00 41.96 40.45 2uwe s TYR 190 CO -0.06 0.58 -0.07 0.00 -1.11 0.00 0.00 175.55 174.90 2uwe s ALA 191 N -2.17 0.52 0.00 3.71 0.00 0.24 -2.58 121.76 121.48 2uwe s ALA 191 Ca 0.31 -0.45 0.01 0.00 0.00 0.00 0.00 51.96 51.83 2uwe s ALA 191 Cb -0.07 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 2uwe s ALA 191 CO 0.21 0.07 -0.03 -1.17 0.00 0.00 0.00 175.76 174.83 2uwe s LEU 192 N -0.70 2.05 0.09 0.00 2.96 0.06 0.71 118.68 123.84 2uwe s LEU 192 Ca -0.02 -0.13 0.03 0.00 -0.22 0.00 0.00 54.13 53.78 2uwe s LEU 192 Cb -0.05 -0.13 -0.04 0.00 0.50 0.00 0.00 46.19 46.47 2uwe s LEU 192 CO 0.00 -0.01 -0.08 -0.94 -1.32 0.00 0.00 176.35 174.00 2uwe s SER 193 N -0.31 1.19 0.07 3.68 1.04 -1.26 -0.47 113.70 117.63 2uwe s SER 193 Ca -0.01 -0.83 -0.08 0.00 0.48 0.00 0.00 55.95 55.51 2uwe s SER 193 Cb -0.03 0.05 -0.01 0.00 0.10 0.00 0.00 66.02 66.14 2uwe s SER 193 CO -0.00 -0.33 0.16 -0.55 0.98 0.00 0.00 173.24 173.49 2uwe s SER 194 N -2.50 0.14 -0.04 7.02 0.15 -0.53 -1.33 113.70 116.61 2uwe s SER 194 Ca 0.05 -0.61 0.06 0.00 0.70 0.00 0.00 55.95 56.15 2uwe s SER 194 Cb -0.01 0.30 -0.02 0.00 -1.71 0.00 0.00 66.02 64.58 2uwe s SER 194 CO -0.02 -0.65 -0.23 -0.13 1.20 0.00 0.00 173.24 173.41 2uwe s ARG 195 N -3.43 2.36 -0.23 5.44 0.52 -0.14 -1.58 118.95 121.89 2uwe s ARG 195 Ca 0.02 -0.86 0.01 0.00 -0.52 0.00 0.00 55.73 54.38 2uwe s ARG 195 Cb 0.03 -2.17 0.06 0.00 0.52 0.00 0.00 34.95 33.39 2uwe s ARG 195 CO -0.09 0.52 -0.08 -1.17 0.02 0.00 0.00 175.30 174.50 2uwe s LEU 196 N -0.49 2.72 -0.24 2.53 2.96 -0.16 -1.59 118.68 124.41 2uwe s LEU 196 Ca 0.06 -1.16 -0.09 0.00 -0.22 0.00 0.00 54.13 52.72 2uwe s LEU 196 Cb -0.11 -1.29 -0.04 0.00 0.50 0.00 0.00 46.19 45.25 2uwe s LEU 196 CO 0.01 -0.20 0.12 -0.60 -1.32 0.00 0.00 176.35 174.36 2uwe s ARG 197 N 1.32 3.92 0.41 1.98 3.52 -0.56 -0.59 118.95 128.95 2uwe s ARG 197 Ca -0.05 -0.35 0.06 0.00 -0.13 0.00 0.00 55.73 55.26 2uwe s ARG 197 Cb -0.18 -3.45 -0.07 0.00 -1.56 0.00 0.00 34.95 29.69 2uwe s ARG 197 CO -0.06 -0.01 0.02 0.14 -0.81 0.00 0.00 175.30 174.57 2uwe s VAL 198 N 1.21 1.85 0.58 7.11 -7.23 -0.39 -4.71 120.40 118.81 2uwe s VAL 198 Ca 0.06 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.07 2uwe s VAL 198 Cb -0.14 -2.92 -0.04 0.00 0.56 0.00 0.00 36.38 33.84 2uwe s VAL 198 CO 0.05 0.00 1.06 -0.94 -0.31 0.00 0.00 175.10 174.96 2uwe s SER 199 N -3.70 5.79 0.29 4.85 1.04 -1.26 -0.29 113.70 120.41 2uwe s SER 199 Ca 0.33 1.87 0.02 0.00 0.48 0.00 0.00 55.95 58.65 2uwe s SER 199 Cb 0.09 -2.54 0.56 0.00 0.10 0.00 0.00 66.02 64.23 2uwe s SER 199 CO 0.17 -1.16 1.85 0.00 0.98 0.00 0.00 173.24 175.07 2uwe h ALA 200 N 0.59 1.53 -0.80 5.32 0.00 -1.55 -0.72 119.26 123.64 2uwe h ALA 200 Ca -0.47 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.47 2uwe h ALA 200 Cb 1.23 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 2uwe h ALA 200 CO 0.57 0.24 0.53 1.15 0.00 0.00 0.00 179.25 181.74 2uwe h THR 201 N 1.00 1.16 -0.13 0.00 2.02 -1.93 -1.16 112.91 113.87 2uwe h THR 201 Ca 0.48 -0.35 -0.14 0.00 0.77 0.00 0.00 66.41 67.17 2uwe h THR 201 Cb 0.45 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 2uwe h THR 201 CO -0.24 0.19 -0.45 0.15 0.37 0.00 0.00 175.52 175.54 2uwe h PHE 202 N 1.03 0.70 -0.28 3.16 3.57 -1.53 -3.15 116.94 120.45 2uwe h PHE 202 Ca 0.31 -0.29 -0.08 0.00 3.53 0.00 0.00 57.97 61.44 2uwe h PHE 202 Cb -0.04 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 2uwe h PHE 202 CO -0.00 1.05 -0.17 2.35 -2.23 0.00 0.00 178.31 179.31 2uwe h TRP 203 N 0.15 0.53 0.00 0.41 2.91 -1.25 -3.08 115.95 115.62 2uwe h TRP 203 Ca -0.02 -0.09 0.00 0.00 1.13 0.00 0.00 58.89 59.91 2uwe h TRP 203 Cb 1.07 -0.14 0.00 0.00 -0.51 0.00 0.00 29.16 29.58 2uwe h TRP 203 CO 0.11 0.63 0.00 0.45 -1.03 0.00 0.00 178.44 178.60 2uwe h HIS 204 N 0.44 0.00 -3.35 2.65 3.86 -1.22 -2.51 115.15 115.02 2uwe h HIS 204 Ca 0.08 0.00 -0.58 0.00 -1.16 0.00 0.00 60.37 58.71 2uwe h HIS 204 Cb 0.55 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.95 2uwe h HIS 204 CO 0.02 0.00 0.80 1.21 0.86 0.00 0.00 177.93 180.82 2uwe s ASN 205 N -4.72 6.88 0.52 2.45 2.47 -1.16 -3.86 114.94 117.51 2uwe s ASN 205 Ca 0.05 0.96 0.35 0.00 0.42 0.00 0.00 52.86 54.64 2uwe s ASN 205 Cb 0.10 -2.53 1.75 0.00 -1.45 0.00 0.00 41.25 39.11 2uwe s ASN 205 CO 0.48 -0.88 2.05 -0.65 -3.72 0.00 0.00 177.10 174.38 2uwe h PRO 206 N 8.18 0.00 -0.46 0.43 0.11 -1.84 -2.60 132.00 135.82 2uwe h PRO 206 Ca -0.21 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.79 2uwe h PRO 206 Cb 1.06 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 2uwe h PRO 206 CO 1.02 0.00 -0.14 -0.09 -0.21 0.00 0.00 178.00 178.58 2uwe h ARG 207 N 0.00 0.86 -6.39 1.05 1.12 -1.92 -3.37 114.38 105.73 2uwe h ARG 207 Ca 0.00 -0.31 -0.54 0.00 -1.11 0.00 0.00 59.98 58.02 2uwe h ARG 207 Cb 0.16 -0.06 0.01 0.00 -0.01 0.00 0.00 29.97 30.07 2uwe h ARG 207 CO 0.00 0.95 0.94 -0.80 -3.11 0.00 0.00 179.97 177.94 2uwe s ASN 208 N -6.70 6.72 -0.19 -3.80 0.01 -0.98 -4.90 114.94 105.11 2uwe s ASN 208 Ca -0.10 2.28 -0.05 0.00 -0.71 0.00 0.00 52.86 54.28 2uwe s ASN 208 Cb 0.13 -2.56 -0.03 0.00 0.41 0.00 0.00 41.25 39.21 2uwe s ASN 208 CO 0.84 -0.82 -0.00 -2.28 -1.51 0.00 0.00 177.10 173.33 2uwe s HIS 209 N 2.72 3.05 -0.09 2.20 5.65 -1.26 -1.57 115.29 126.00 2uwe s HIS 209 Ca 0.69 -0.37 0.03 0.00 0.25 0.00 0.00 55.06 55.65 2uwe s HIS 209 Cb -0.35 -2.05 -0.02 0.00 -1.18 0.00 0.00 32.58 28.98 2uwe s HIS 209 CO 0.29 -0.16 -0.17 -0.06 -0.65 0.00 0.00 174.74 174.00 2uwe s PHE 210 N 0.79 2.68 -0.10 3.88 0.08 0.41 -1.65 117.98 124.06 2uwe s PHE 210 Ca 0.00 -0.52 -0.07 0.00 0.12 0.00 0.00 56.93 56.46 2uwe s PHE 210 Cb -0.14 -1.71 0.04 0.00 -0.57 0.00 0.00 43.02 40.64 2uwe s PHE 210 CO 0.02 -0.09 0.26 0.50 -0.10 0.00 0.00 175.22 175.80 2uwe s ARG 211 N -0.13 0.25 -0.19 0.44 3.52 -0.19 -0.87 118.95 121.78 2uwe s ARG 211 Ca -0.02 0.47 -0.03 0.00 -0.13 0.00 0.00 55.73 56.01 2uwe s ARG 211 Cb -0.14 -0.01 -0.02 0.00 -1.56 0.00 0.00 34.95 33.23 2uwe s ARG 211 CO 0.04 -0.11 -0.05 0.00 -0.81 0.00 0.00 175.30 174.37 2uwe s GLN 213 N 0.93 3.51 -0.22 0.00 0.74 0.99 -2.47 119.66 123.15 2uwe s GLN 213 Ca -0.00 -0.59 -0.04 0.00 0.05 0.00 0.00 55.36 54.77 2uwe s GLN 213 Cb -0.15 -2.87 -0.01 0.00 1.10 0.00 0.00 33.01 31.09 2uwe s GLN 213 CO 0.01 0.11 -0.04 0.08 -0.55 0.00 0.00 175.29 174.90 2uwe s VAL 214 N 0.68 3.44 -0.29 1.34 1.01 -0.42 -0.06 120.40 126.10 2uwe s VAL 214 Ca -0.03 -0.47 -0.19 0.00 0.00 0.00 0.00 61.98 61.28 2uwe s VAL 214 Cb -0.15 -2.56 -0.02 0.00 0.00 0.00 0.00 36.38 33.65 2uwe s VAL 214 CO 0.02 0.42 0.58 -1.58 0.00 0.00 0.00 175.10 174.55 2uwe s GLN 215 N 1.43 3.97 -0.25 2.72 0.74 0.11 -1.34 119.66 127.03 2uwe s GLN 215 Ca 0.05 0.31 -0.08 0.00 0.05 0.00 0.00 55.36 55.70 2uwe s GLN 215 Cb -0.14 -3.70 -0.03 0.00 1.10 0.00 0.00 33.01 30.24 2uwe s GLN 215 CO -0.02 -0.48 0.08 0.12 -0.55 0.00 0.00 175.29 174.44 2uwe s PHE 216 N 2.48 3.10 -0.50 1.67 5.36 0.14 -1.03 117.98 129.19 2uwe s PHE 216 Ca 0.24 -0.42 -0.19 0.00 -0.96 0.00 0.00 56.93 55.59 2uwe s PHE 216 Cb -0.15 -2.25 0.06 0.00 -0.34 0.00 0.00 43.02 40.33 2uwe s PHE 216 CO 0.10 -0.36 0.64 -1.01 -1.46 0.00 0.00 175.22 173.13 2uwe s HIS 217 N 1.62 3.04 0.00 10.12 3.76 0.47 -1.26 115.29 133.03 2uwe s HIS 217 Ca 0.06 -0.49 0.00 0.00 -0.15 0.00 0.00 55.06 54.49 2uwe s HIS 217 Cb -0.15 -3.55 0.00 0.00 1.11 0.00 0.00 32.58 29.99 2uwe s HIS 217 CO 0.04 -1.04 0.00 0.41 -0.85 0.00 0.00 174.74 173.30 2uwe n GLY 218 N 5.16 1.60 3.87 -2.22 0.00 -1.26 -4.62 105.19 107.73 2uwe n GLY 218 Ca -0.06 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 2uwe n GLY 218 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2uwe s LEU 219 N 0.00 3.33 0.37 0.99 1.43 -0.47 -4.53 118.68 119.80 2uwe s LEU 219 Ca 0.00 1.39 0.06 0.00 -1.03 0.00 0.00 54.13 54.55 2uwe s LEU 219 Cb 0.00 -4.41 -0.00 0.00 0.03 0.00 0.00 46.19 41.80 2uwe s LEU 219 CO 0.00 -0.80 0.52 -0.94 0.23 0.00 0.00 176.35 175.35 2uwe s SER 220 N -4.02 5.87 0.57 2.29 1.04 -1.26 -3.19 113.70 115.00 2uwe s SER 220 Ca 0.55 -0.21 0.26 0.00 0.48 0.00 0.00 55.95 57.03 2uwe s SER 220 Cb -0.11 -1.10 1.60 0.00 0.10 0.00 0.00 66.02 66.51 2uwe s SER 220 CO 0.50 -0.55 2.16 -0.08 0.98 0.00 0.00 173.24 176.25 2uwe h GLU 221 N 0.78 0.00 0.00 4.02 4.81 -2.02 -1.53 114.58 120.64 2uwe h GLU 221 Ca -0.44 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.77 2uwe h GLU 221 Cb 1.26 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.64 2uwe h GLU 221 CO 0.51 0.00 -0.09 1.05 -0.73 0.00 0.00 179.01 179.75 2uwe h GLU 222 N 0.00 0.00 -6.49 1.92 4.11 -2.05 -3.44 114.58 108.63 2uwe h GLU 222 Ca 0.05 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 58.95 2uwe h GLU 222 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2uwe h GLU 222 CO -0.00 0.09 0.56 -0.51 0.07 0.00 0.00 179.01 179.23 2uwe s ASP 223 N -5.92 7.07 0.15 3.06 1.01 -0.58 -5.01 116.67 116.46 2uwe s ASP 223 Ca 0.01 2.03 -0.30 0.00 0.71 0.00 0.00 52.55 55.00 2uwe s ASP 223 Cb 0.10 -2.58 -0.07 0.00 1.01 0.00 0.00 42.92 41.38 2uwe s ASP 223 CO 0.58 -0.47 1.05 -0.54 0.21 0.00 0.00 175.17 176.00 2uwe s LYS 224 N 1.01 4.64 -0.03 8.23 1.02 -1.26 -4.94 119.74 128.42 2uwe s LYS 224 Ca 0.59 1.61 -0.00 0.00 0.02 0.00 0.00 55.97 58.18 2uwe s LYS 224 Cb -0.30 -3.32 0.03 0.00 -0.52 0.00 0.00 37.83 33.73 2uwe s LYS 224 CO 0.29 0.13 0.05 -0.46 -0.92 0.00 0.00 175.35 174.44 2uwe s TRP 225 N -0.15 -0.00 0.52 3.18 -0.11 -1.26 -5.05 118.94 116.08 2uwe s TRP 225 Ca 0.48 0.18 -0.19 0.00 1.22 0.00 0.00 56.10 57.79 2uwe s TRP 225 Cb -0.27 -0.21 -0.07 0.00 -1.50 0.00 0.00 33.47 31.43 2uwe s TRP 225 CO 0.33 -0.10 1.07 -2.14 -4.62 0.00 0.00 176.95 171.49 2uwe s PRO 226 N 1.05 3.56 0.48 5.86 0.02 -1.26 -5.01 135.00 139.68 2uwe s PRO 226 Ca -0.09 1.43 -0.22 0.00 0.02 0.00 0.00 61.00 62.14 2uwe s PRO 226 Cb -0.12 -2.05 -0.07 0.00 0.02 0.00 0.00 34.50 32.27 2uwe s PRO 226 CO -0.03 -0.65 1.12 -2.00 -0.33 0.00 0.00 177.00 175.11 2uwe s GLU 227 N -3.39 3.72 0.00 5.54 2.12 -1.26 -4.20 118.70 121.23 2uwe s GLU 227 Ca 0.69 1.63 0.00 0.00 0.36 0.00 0.00 54.97 57.65 2uwe s GLU 227 Cb -0.19 -2.28 0.00 0.00 0.26 0.00 0.00 34.13 31.93 2uwe s GLU 227 CO 0.25 -0.55 0.00 0.41 -0.54 0.00 0.00 175.26 174.83 2uwe n GLY 228 N 0.26 2.44 3.81 -1.50 0.00 -1.26 -5.06 105.19 103.87 2uwe n GLY 228 Ca 0.08 -0.72 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 2uwe n GLY 228 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2uwe s SER 229 N 0.00 7.13 0.36 1.61 0.15 -1.26 -5.06 113.70 116.62 2uwe s SER 229 Ca 0.00 1.41 -0.27 0.00 0.70 0.00 0.00 55.95 57.79 2uwe s SER 229 Cb 0.00 -2.41 -0.09 0.00 -1.71 0.00 0.00 66.02 61.80 2uwe s SER 229 CO 0.00 0.15 1.24 -2.16 1.20 0.00 0.00 173.24 173.66 2uwe s PRO 230 N -1.54 4.25 0.13 5.44 0.04 -1.26 -4.90 135.00 137.16 2uwe s PRO 230 Ca 0.37 2.04 -0.31 0.00 0.04 0.00 0.00 61.00 63.14 2uwe s PRO 230 Cb -0.19 -2.92 -0.08 0.00 0.04 0.00 0.00 34.50 31.34 2uwe s PRO 230 CO 0.22 -0.22 1.42 0.21 0.04 0.00 0.00 177.00 178.67 2uwe s LYS 231 N -1.96 4.30 -1.52 4.56 2.20 -1.26 -4.92 119.74 121.14 2uwe s LYS 231 Ca 0.52 2.14 -0.11 0.00 -0.36 0.00 0.00 55.97 58.16 2uwe s LYS 231 Cb -0.36 -3.22 -0.01 0.00 -1.51 0.00 0.00 37.83 32.73 2uwe s LYS 231 CO 0.46 -0.46 2.56 -0.35 -0.36 0.00 0.00 175.35 177.20 2uwe n PRO 232 N 3.84 3.38 -1.49 4.03 -0.05 -1.26 -4.95 135.00 138.49 2uwe n PRO 232 Ca 0.12 -2.51 -0.29 0.00 -0.05 0.00 0.00 63.50 60.76 2uwe n PRO 232 Cb 0.41 -3.01 0.18 0.00 -0.05 0.00 0.00 33.50 31.03 2uwe n PRO 232 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 175.50 175.59 2uwe s VAL 233 N 2.35 1.89 0.05 0.52 -7.23 -1.26 -1.36 120.40 115.35 2uwe s VAL 233 Ca 0.58 0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 60.44 2uwe s VAL 233 Cb 0.16 -2.73 -0.08 0.00 0.56 0.00 0.00 36.38 34.29 2uwe s VAL 233 CO -0.07 0.00 1.77 -0.89 -0.31 0.00 0.00 175.10 175.60 2uwe s THR 234 N -3.35 3.03 0.01 5.32 2.01 -1.19 -4.20 115.64 117.28 2uwe s THR 234 Ca 0.68 0.32 -0.19 0.00 0.31 0.00 0.00 61.69 62.82 2uwe s THR 234 Cb -0.11 -3.21 0.04 0.00 0.01 0.00 0.00 72.50 69.23 2uwe s THR 234 CO 0.54 -0.01 0.41 0.00 -0.69 0.00 0.00 174.62 174.87 2uwe s GLN 235 N 3.38 0.85 -0.17 4.92 -2.07 -0.39 -4.94 119.66 121.25 2uwe s GLN 235 Ca 0.79 -0.23 -0.09 0.00 -1.82 0.00 0.00 55.36 54.01 2uwe s GLN 235 Cb -0.41 0.38 -0.05 0.00 -1.09 0.00 0.00 33.01 31.85 2uwe s GLN 235 CO 0.35 -0.27 0.12 -0.80 -1.32 0.00 0.00 175.29 173.37 2uwe s ASN 236 N -1.68 6.15 -0.08 12.60 0.01 -1.26 -0.68 114.94 130.01 2uwe s ASN 236 Ca -0.09 0.28 0.01 0.00 -0.71 0.00 0.00 52.86 52.35 2uwe s ASN 236 Cb -0.02 -2.05 0.02 0.00 0.41 0.00 0.00 41.25 39.61 2uwe s ASN 236 CO 0.01 0.25 -0.09 -0.63 -1.51 0.00 0.00 177.10 175.13 2uwe s ILE 237 N -0.08 0.99 0.26 0.60 1.01 -0.45 -4.99 121.20 118.54 2uwe s ILE 237 Ca 0.10 -0.35 0.09 0.00 0.00 0.00 0.00 60.65 60.49 2uwe s ILE 237 Cb -0.11 -0.96 -0.05 0.00 0.01 0.00 0.00 42.46 41.35 2uwe s ILE 237 CO 0.00 0.34 -0.15 -0.44 0.00 0.00 0.00 174.94 174.69 2uwe s SER 238 N 1.09 3.14 -0.00 3.58 0.01 -1.26 -1.30 113.70 118.96 2uwe s SER 238 Ca -0.07 -1.07 0.01 0.00 1.31 0.00 0.00 55.95 56.13 2uwe s SER 238 Cb -0.14 -0.23 -0.00 0.00 0.21 0.00 0.00 66.02 65.85 2uwe s SER 238 CO -0.01 -0.12 -0.04 0.00 0.41 0.00 0.00 173.24 173.48 2uwe s ALA 239 N -2.75 0.30 0.05 1.44 0.00 -1.03 -4.83 121.76 114.93 2uwe s ALA 239 Ca 0.28 -0.19 0.02 0.00 0.00 0.00 0.00 51.96 52.07 2uwe s ALA 239 Cb -0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 2uwe s ALA 239 CO 0.12 0.06 -0.07 -1.83 0.00 0.00 0.00 175.76 174.05 2uwe s GLU 240 N -0.18 0.54 0.06 0.00 -1.05 -1.26 -1.94 118.70 114.88 2uwe s GLU 240 Ca 0.00 -0.83 -0.07 0.00 -0.15 0.00 0.00 54.97 53.93 2uwe s GLU 240 Cb -0.02 -0.21 -0.01 0.00 -0.44 0.00 0.00 34.13 33.45 2uwe s GLU 240 CO -0.00 0.02 0.13 0.00 0.95 0.00 0.00 175.26 176.36 2uwe s ALA 241 N -1.78 -0.09 0.32 -0.84 0.00 -0.05 -5.00 121.76 114.32 2uwe s ALA 241 Ca -0.07 -0.63 0.10 0.00 0.00 0.00 0.00 51.96 51.35 2uwe s ALA 241 Cb -0.07 0.35 -0.06 0.00 0.00 0.00 0.00 23.12 23.34 2uwe s ALA 241 CO -0.01 -0.41 -0.07 -1.58 0.00 0.00 0.00 175.76 173.70 2uwe s TRP 242 N -3.28 2.46 0.41 0.00 0.51 -1.26 -0.45 118.94 117.33 2uwe s TRP 242 Ca 0.01 -0.42 -0.25 0.00 -2.12 0.00 0.00 56.10 53.31 2uwe s TRP 242 Cb 0.03 -1.33 -0.08 0.00 -0.81 0.00 0.00 33.47 31.27 2uwe s TRP 242 CO -0.08 0.57 1.27 0.20 -0.51 0.00 0.00 176.95 178.41 2uwe s GLY 243 N -3.63 2.90 0.02 0.98 0.00 -0.61 -4.97 107.32 102.01 2uwe s GLY 243 Ca 0.33 1.16 0.02 0.00 0.00 0.00 0.00 44.72 46.23 2uwe s GLY 243 CO 0.17 1.73 -0.05 0.50 0.00 0.00 0.00 173.10 175.45 2uwe s ARG 244 N -2.30 0.41 0.00 2.90 0.52 -0.95 -4.01 118.95 115.52 2uwe s ARG 244 Ca 0.58 -0.45 0.06 0.00 -0.52 0.00 0.00 55.73 55.40 2uwe s ARG 244 Cb -0.36 -0.26 0.34 0.00 0.52 0.00 0.00 34.95 35.19 2uwe s ARG 244 CO 0.46 0.06 0.81 0.00 0.02 0.00 0.00 175.30 176.64