#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s4d n GLY 8 N 0.00 0.00 0.00 0.00 0.00 -1.26 -5.18 105.19 98.75 1s4d n GLY 8 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1s4d n GLY 8 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1s4d n LEU 9 N 0.00 0.00 -0.82 0.99 -0.00 -1.26 -5.08 117.00 110.84 1s4d n LEU 9 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.89 1s4d n LEU 9 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.40 1s4d n LEU 9 CO 0.00 0.00 0.19 -2.65 -0.00 0.00 0.00 177.39 174.93 1s4d n PRO 10 N 0.00 0.00 -3.98 1.47 -0.01 -1.26 -4.95 135.00 126.27 1s4d n PRO 10 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 63.50 63.23 1s4d n PRO 10 Cb 0.00 -0.26 -0.04 0.00 -0.01 0.00 0.00 33.50 33.19 1s4d n PRO 10 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1s4d s ALA 11 N 0.45 3.88 -0.53 3.55 0.00 -1.26 -4.97 121.76 122.88 1s4d s ALA 11 Ca 0.18 -1.07 -0.25 0.00 0.00 0.00 0.00 51.96 50.82 1s4d s ALA 11 Cb -0.25 -1.69 0.04 0.00 0.00 0.00 0.00 23.12 21.21 1s4d s ALA 11 CO 0.14 0.54 0.99 -1.17 0.00 0.00 0.00 175.76 176.26 1s4d s LEU 12 N -3.17 3.95 0.77 0.00 0.20 -1.26 -5.01 118.68 114.15 1s4d s LEU 12 Ca 0.34 -0.12 -0.12 0.00 0.69 0.00 0.00 54.13 54.92 1s4d s LEU 12 Cb -0.11 -3.01 0.06 0.00 -0.43 0.00 0.00 46.19 42.70 1s4d s LEU 12 CO 0.27 -1.22 1.13 -1.61 -0.29 0.00 0.00 176.35 174.62 1s4d s GLU 13 N 4.09 2.06 0.61 1.98 0.41 -1.26 -4.92 118.70 121.67 1s4d s GLU 13 Ca 0.35 1.40 0.34 0.00 -0.41 0.00 0.00 54.97 56.65 1s4d s GLU 13 Cb -0.11 -1.86 1.99 0.00 -1.78 0.00 0.00 34.13 32.38 1s4d s GLU 13 CO 0.23 -1.82 2.28 1.57 -0.49 0.00 0.00 175.26 177.02 1s4d h LYS 14 N -0.93 0.00 0.00 1.61 -0.00 -1.91 -3.15 116.57 112.19 1s4d h LYS 14 Ca -0.45 0.00 -0.12 0.00 -0.00 0.00 0.00 60.65 60.08 1s4d h LYS 14 Cb 1.25 0.00 -0.26 0.00 -0.00 0.00 0.00 32.23 33.22 1s4d h LYS 14 CO 0.49 0.01 -0.86 0.41 -0.00 0.00 0.00 179.45 179.50 1s4d n GLY 15 N -1.18 2.29 3.29 0.07 0.00 -1.26 -3.52 105.19 104.88 1s4d n GLY 15 Ca -0.03 -0.98 -0.27 0.00 0.00 0.00 0.00 46.02 44.74 1s4d n GLY 15 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1s4d n SER 16 N -0.02 2.39 -3.67 1.61 3.41 -1.19 -4.58 113.62 111.57 1s4d n SER 16 Ca 0.10 -3.06 -0.20 0.00 -0.26 0.00 0.00 58.87 55.45 1s4d n SER 16 Cb 1.00 0.61 -0.18 0.00 -0.26 0.00 0.00 64.21 65.38 1s4d n SER 16 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1s4d s VAL 17 N -2.83 -0.12 -0.19 -3.33 1.01 -1.04 -1.10 120.40 112.79 1s4d s VAL 17 Ca 0.09 0.42 -0.15 0.00 0.00 0.00 0.00 61.98 62.33 1s4d s VAL 17 Cb 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 36.38 36.17 1s4d s VAL 17 CO 0.06 0.17 0.35 0.26 0.00 0.00 0.00 175.10 175.95 1s4d s TRP 18 N 2.18 3.40 -0.64 5.22 0.52 0.14 -2.45 118.94 127.31 1s4d s TRP 18 Ca 0.05 0.59 -0.22 0.00 0.02 0.00 0.00 56.10 56.54 1s4d s TRP 18 Cb -0.12 -2.45 0.07 0.00 -1.15 0.00 0.00 33.47 29.82 1s4d s TRP 18 CO -0.03 0.07 0.92 -0.51 0.02 0.00 0.00 176.95 177.42 1s4d s LEU 19 N 1.02 4.51 -0.13 2.99 1.02 -0.34 0.31 118.68 128.06 1s4d s LEU 19 Ca 0.18 -1.00 -0.01 0.00 0.02 0.00 0.00 54.13 53.32 1s4d s LEU 19 Cb -0.14 -2.43 -0.02 0.00 0.02 0.00 0.00 46.19 43.61 1s4d s LEU 19 CO 0.07 -1.37 -0.10 -0.69 0.02 0.00 0.00 176.35 174.28 1s4d s VAL 20 N 3.83 3.34 -0.05 -1.59 1.01 0.20 -1.77 120.40 125.38 1s4d s VAL 20 Ca 0.21 -0.56 -0.30 0.00 0.00 0.00 0.00 61.98 61.33 1s4d s VAL 20 Cb -0.18 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 1s4d s VAL 20 CO 0.10 0.52 1.01 -0.83 0.00 0.00 0.00 175.10 175.91 1s4d s GLY 21 N 0.25 2.60 0.00 4.51 0.00 -0.56 -0.66 107.32 113.46 1s4d s GLY 21 Ca -0.07 0.49 0.25 0.00 0.00 0.00 0.00 44.72 45.39 1s4d s GLY 21 CO 0.04 1.83 1.44 0.00 0.00 0.00 0.00 173.10 176.42 1s4d n ALA 22 N 4.45 3.48 -0.41 3.20 0.00 0.18 -4.53 120.51 126.89 1s4d n ALA 22 Ca 0.08 -0.35 0.05 0.00 0.00 0.00 0.00 53.44 53.22 1s4d n ALA 22 Cb 0.50 -1.13 -0.02 0.00 0.00 0.00 0.00 19.45 18.80 1s4d n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s4d n GLY 23 N 1.48 -1.72 0.24 0.00 0.00 -0.60 -4.37 105.19 100.22 1s4d n GLY 23 Ca 0.06 -1.41 0.11 0.00 0.00 0.00 0.00 46.02 44.78 1s4d n GLY 23 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1s4d h PRO 24 N -0.39 0.00 0.00 1.61 0.13 -1.85 -2.47 132.00 129.04 1s4d h PRO 24 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1s4d h PRO 24 Cb 0.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.51 1s4d h PRO 24 CO 0.01 0.18 0.00 0.41 -0.23 0.00 0.00 178.00 178.37 1s4d n GLY 25 N -0.15 0.39 3.66 1.56 0.00 -1.26 -4.85 105.19 104.53 1s4d n GLY 25 Ca -0.01 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 1s4d n GLY 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s4d s ASP 26 N 0.00 6.93 0.50 1.61 2.15 -0.84 -4.63 116.67 122.39 1s4d s ASP 26 Ca 0.00 1.15 0.18 0.00 0.43 0.00 0.00 52.55 54.32 1s4d s ASP 26 Cb 0.00 -2.46 1.24 0.00 -0.30 0.00 0.00 42.92 41.40 1s4d s ASP 26 CO 0.00 -0.50 2.05 -0.65 -0.17 0.00 0.00 175.17 175.90 1s4d h PRO 27 N 7.51 0.12 -0.12 4.34 0.11 -1.89 -0.35 132.00 141.72 1s4d h PRO 27 Ca -0.24 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.89 1s4d h PRO 27 Cb 1.10 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1s4d h PRO 27 CO 0.88 0.08 0.10 0.78 -0.21 0.00 0.00 178.00 179.63 1s4d h GLY 28 N 0.12 0.00 2.00 -0.55 0.00 -1.97 -1.76 103.07 100.91 1s4d h GLY 28 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1s4d h GLY 28 CO -0.02 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.56 1s4d n LEU 29 N -4.18 0.75 -4.68 3.11 4.77 -0.14 -4.77 117.00 111.86 1s4d n LEU 29 Ca -0.00 0.60 -0.44 0.00 -0.03 0.00 0.00 56.01 56.14 1s4d n LEU 29 Cb 0.22 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 40.88 1s4d n LEU 29 CO 0.31 -0.30 1.07 0.18 -1.33 0.00 0.00 177.39 177.32 1s4d n LEU 30 N -2.24 3.29 -4.77 2.23 4.77 -0.67 -4.51 117.00 115.11 1s4d n LEU 30 Ca 0.04 1.14 -0.33 0.00 -0.03 0.00 0.00 56.01 56.83 1s4d n LEU 30 Cb 0.36 -1.45 0.05 0.00 -2.33 0.00 0.00 43.42 40.06 1s4d n LEU 30 CO 0.27 -0.37 0.74 0.42 -1.33 0.00 0.00 177.39 177.12 1s4d s THR 31 N 0.05 3.16 0.29 -5.08 -4.23 -1.26 -4.84 115.64 103.72 1s4d s THR 31 Ca 0.69 0.53 0.00 0.00 -1.18 0.00 0.00 61.69 61.73 1s4d s THR 31 Cb -0.63 -3.05 0.28 0.00 1.34 0.00 0.00 72.50 70.44 1s4d s THR 31 CO 0.48 -0.34 1.89 -0.07 -0.54 0.00 0.00 174.62 176.04 1s4d h LEU 32 N -0.08 0.94 -0.48 4.79 3.38 -1.95 0.16 115.31 122.08 1s4d h LEU 32 Ca -0.47 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.48 1s4d h LEU 32 Cb 1.25 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 1s4d h LEU 32 CO 0.53 0.59 0.13 0.45 0.09 0.00 0.00 178.44 180.23 1s4d h HIS 33 N 1.06 0.78 -0.17 1.13 3.86 -1.97 -2.08 115.15 117.77 1s4d h HIS 33 Ca 0.42 -0.09 0.03 0.00 -1.16 0.00 0.00 60.37 59.57 1s4d h HIS 33 Cb 0.25 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.47 1s4d h HIS 33 CO -0.00 0.70 -0.01 0.00 0.86 0.00 0.00 177.93 179.48 1s4d h ALA 34 N 0.99 0.14 0.13 2.45 0.00 -1.80 -1.78 119.26 119.39 1s4d h ALA 34 Ca 0.15 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1s4d h ALA 34 Cb 0.30 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1s4d h ALA 34 CO -0.00 -0.45 -0.50 0.00 0.00 0.00 0.00 179.25 178.29 1s4d h ALA 35 N 1.15 -0.99 0.00 0.00 0.00 -0.38 -0.19 119.26 118.86 1s4d h ALA 35 Ca 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1s4d h ALA 35 Cb 0.11 0.87 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1s4d h ALA 35 CO -0.15 -1.11 0.00 0.27 0.00 0.00 0.00 179.25 178.27 1s4d n ASN 36 N -5.32 0.31 0.14 0.00 0.23 -0.81 -2.25 115.26 107.56 1s4d n ASN 36 Ca -0.08 0.56 -0.11 0.00 -0.53 0.00 0.00 54.58 54.42 1s4d n ASN 36 Cb 0.39 -0.63 -0.07 0.00 -2.08 0.00 0.00 39.78 37.39 1s4d n ASN 36 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1s4d h ALA 37 N 2.51 -0.40 -0.69 -2.53 0.00 -0.49 -3.03 119.26 114.64 1s4d h ALA 37 Ca 0.00 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 54.87 1s4d h ALA 37 Cb 0.39 0.15 -0.12 0.00 0.00 0.00 0.00 17.79 18.21 1s4d h ALA 37 CO 0.00 -0.47 -0.05 -0.07 0.00 0.00 0.00 179.25 178.66 1s4d h LEU 38 N -0.92 -0.42 -0.32 0.00 -0.00 -0.78 -2.89 115.31 109.98 1s4d h LEU 38 Ca -0.04 0.19 -0.09 0.00 -0.00 0.00 0.00 57.88 57.93 1s4d h LEU 38 Cb 0.51 0.35 -0.01 0.00 -0.00 0.00 0.00 40.66 41.51 1s4d h LEU 38 CO 0.07 -0.18 -0.16 0.03 -0.00 0.00 0.00 178.44 178.20 1s4d h ARG 39 N 0.07 0.67 -0.79 1.13 3.08 -1.54 -3.17 114.38 113.83 1s4d h ARG 39 Ca 0.36 -0.30 -0.19 0.00 0.07 0.00 0.00 59.98 59.92 1s4d h ARG 39 Cb 0.59 -0.02 -0.11 0.00 0.08 0.00 0.00 29.97 30.51 1s4d h ARG 39 CO -0.64 0.89 0.24 0.00 -1.07 0.00 0.00 179.97 179.39 1s4d n GLN 40 N -4.36 3.40 -4.10 0.04 10.64 -1.14 -4.13 117.38 117.72 1s4d n GLN 40 Ca -0.03 -2.66 -0.32 0.00 -1.83 0.00 0.00 57.00 52.16 1s4d n GLN 40 Cb 0.39 -2.10 -0.07 0.00 -0.86 0.00 0.00 30.24 27.60 1s4d n GLN 40 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1s4d s ALA 41 N -2.65 3.55 -0.19 2.61 0.00 -1.10 -4.85 121.76 119.13 1s4d s ALA 41 Ca 0.48 -0.92 0.14 0.00 0.00 0.00 0.00 51.96 51.65 1s4d s ALA 41 Cb 0.38 -1.51 -0.23 0.00 0.00 0.00 0.00 23.12 21.75 1s4d s ALA 41 CO 0.12 0.71 0.11 -0.25 0.00 0.00 0.00 175.76 176.44 1s4d n ASP 42 N 0.97 0.53 -3.74 0.00 8.00 -1.12 -4.76 116.55 116.43 1s4d n ASP 42 Ca -0.12 0.04 -0.22 0.00 0.71 0.00 0.00 54.79 55.20 1s4d n ASP 42 Cb 0.52 0.55 -0.18 0.00 -0.02 0.00 0.00 41.12 42.00 1s4d n ASP 42 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1s4d s VAL 43 N -2.51 0.24 -0.30 2.53 0.11 -1.22 -2.38 120.40 116.87 1s4d s VAL 43 Ca -0.14 0.18 -0.03 0.00 -2.93 0.00 0.00 61.98 59.06 1s4d s VAL 43 Cb 0.07 -0.45 0.04 0.00 -1.53 0.00 0.00 36.38 34.51 1s4d s VAL 43 CO 0.79 0.21 0.02 -0.63 -3.33 0.00 0.00 175.10 172.16 1s4d s ILE 44 N 2.03 3.22 -0.29 7.04 1.01 -1.25 -0.82 121.20 132.14 1s4d s ILE 44 Ca 0.05 -1.24 -0.15 0.00 0.00 0.00 0.00 60.65 59.31 1s4d s ILE 44 Cb -0.12 -2.81 -0.03 0.00 0.01 0.00 0.00 42.46 39.51 1s4d s ILE 44 CO -0.05 -0.07 0.38 -0.69 0.00 0.00 0.00 174.94 174.50 1s4d s VAL 45 N 1.31 5.17 0.11 2.92 1.01 -0.56 -2.18 120.40 128.18 1s4d s VAL 45 Ca -0.03 0.46 0.08 0.00 0.00 0.00 0.00 61.98 62.48 1s4d s VAL 45 Cb -0.19 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 1s4d s VAL 45 CO -0.00 0.09 -0.19 -1.38 0.00 0.00 0.00 175.10 173.62 1s4d s HIS 46 N 2.08 1.71 0.90 5.22 -3.43 -1.10 0.04 115.29 120.70 1s4d s HIS 46 Ca 0.14 -0.44 -0.13 0.00 -0.80 0.00 0.00 55.06 53.84 1s4d s HIS 46 Cb -0.16 -0.92 0.17 0.00 -1.43 0.00 0.00 32.58 30.24 1s4d s HIS 46 CO 0.10 0.21 1.25 0.16 -2.00 0.00 0.00 174.74 174.46 1s4d s ASP 47 N -2.05 3.51 0.46 7.38 -4.77 -1.20 -2.95 116.67 117.04 1s4d s ASP 47 Ca 0.07 0.23 0.15 0.00 -3.30 0.00 0.00 52.55 49.71 1s4d s ASP 47 Cb -0.09 -0.40 1.07 0.00 -1.09 0.00 0.00 42.92 42.41 1s4d s ASP 47 CO 0.04 -2.48 2.02 0.00 0.70 0.00 0.00 175.17 175.46 1s4d h ALA 48 N -1.38 1.71 -0.46 2.11 0.00 -1.94 -3.30 119.26 116.00 1s4d h ALA 48 Ca -0.43 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.41 1s4d h ALA 48 Cb 1.25 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.95 1s4d h ALA 48 CO 0.42 0.20 0.05 -0.07 0.00 0.00 0.00 179.25 179.85 1s4d h LEU 49 N 0.00 -0.08 -8.37 0.00 3.38 -1.96 -3.38 115.31 104.90 1s4d h LEU 49 Ca -0.00 0.09 -0.41 0.00 0.09 0.00 0.00 57.88 57.65 1s4d h LEU 49 Cb 0.28 0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 1s4d h LEU 49 CO 0.02 -0.01 1.07 -0.69 0.09 0.00 0.00 178.44 178.92 1s4d s VAL 50 N -6.16 3.40 0.72 1.22 1.01 -1.25 -4.98 120.40 114.38 1s4d s VAL 50 Ca -0.13 -0.07 -0.11 0.00 0.00 0.00 0.00 61.98 61.67 1s4d s VAL 50 Cb 0.15 -3.98 0.03 0.00 0.00 0.00 0.00 36.38 32.57 1s4d s VAL 50 CO 0.72 -0.94 1.07 0.54 0.00 0.00 0.00 175.10 176.50 1s4d s ASN 51 N 8.03 5.01 0.00 3.32 4.22 -1.26 -4.85 114.94 129.41 1s4d s ASN 51 Ca 0.68 1.72 0.00 0.00 -2.14 0.00 0.00 52.86 53.12 1s4d s ASN 51 Cb -0.10 -2.51 0.00 0.00 1.28 0.00 0.00 41.25 39.92 1s4d s ASN 51 CO 0.11 -1.70 0.52 1.21 -2.04 0.00 0.00 177.10 175.20 1s4d n GLU 52 N -3.25 0.00 -0.10 3.55 4.07 -1.26 -3.17 120.64 120.48 1s4d n GLU 52 Ca 0.08 0.08 -0.05 0.00 -0.06 0.00 0.00 57.16 57.21 1s4d n GLU 52 Cb 0.53 -1.85 0.01 0.00 -0.06 0.00 0.00 31.44 30.07 1s4d n GLU 52 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 1s4d h ASP 53 N 0.00 -0.31 0.04 4.31 3.32 -1.88 -3.34 116.42 118.55 1s4d h ASP 53 Ca 0.00 0.11 -0.19 0.00 0.02 0.00 0.00 57.03 56.97 1s4d h ASP 53 Cb 0.70 0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.45 1s4d h ASP 53 CO 0.00 -0.11 -1.00 0.00 -1.72 0.00 0.00 179.24 176.41 1s4d n LEU 55 N -4.30 0.00 0.08 0.00 -0.00 -1.25 -0.66 117.00 110.87 1s4d n LEU 55 Ca -0.24 0.00 0.13 0.00 -0.00 0.00 0.00 56.01 55.90 1s4d n LEU 55 Cb 0.71 0.00 0.34 0.00 -0.00 0.00 0.00 43.42 44.47 1s4d n LEU 55 CO 0.30 0.00 0.71 1.17 -0.00 0.00 0.00 177.39 179.58 1s4d n LYS 56 N -0.79 0.25 -1.89 1.47 3.00 -1.26 -4.20 118.16 114.74 1s4d n LYS 56 Ca 0.10 0.16 -0.36 0.00 -0.00 0.00 0.00 58.31 58.21 1s4d n LYS 56 Cb 0.05 -1.75 -0.02 0.00 0.00 0.00 0.00 35.03 33.31 1s4d n LYS 56 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1s4d n LEU 57 N -2.16 7.40 -4.08 3.14 4.32 0.17 -4.90 117.00 120.88 1s4d n LEU 57 Ca 0.05 -4.67 -0.10 0.00 -0.02 0.00 0.00 56.01 51.27 1s4d n LEU 57 Cb 0.43 -1.27 -0.07 0.00 -1.62 0.00 0.00 43.42 40.88 1s4d n LEU 57 CO 0.32 1.93 -0.02 0.00 -1.22 0.00 0.00 177.39 178.40 1s4d s ALA 58 N -1.93 0.36 0.03 -1.18 0.00 -1.26 -4.33 121.76 113.44 1s4d s ALA 58 Ca 0.54 -1.21 -0.30 0.00 0.00 0.00 0.00 51.96 50.98 1s4d s ALA 58 Cb 0.27 1.17 -0.05 0.00 0.00 0.00 0.00 23.12 24.51 1s4d s ALA 58 CO -0.17 -0.72 1.14 -0.98 0.00 0.00 0.00 175.76 175.04 1s4d s ARG 59 N -4.07 4.45 0.60 0.00 1.70 -1.26 -4.94 118.95 115.43 1s4d s ARG 59 Ca 0.28 1.66 0.29 0.00 -0.47 0.00 0.00 55.73 57.50 1s4d s ARG 59 Cb 0.03 -3.41 1.64 0.00 -0.57 0.00 0.00 34.95 32.64 1s4d s ARG 59 CO 0.09 -0.24 2.05 -1.35 -1.08 0.00 0.00 175.30 174.77 1s4d h PRO 60 N 6.91 0.00 -1.22 3.89 0.11 -1.96 -2.26 132.00 137.47 1s4d h PRO 60 Ca -0.40 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.46 1s4d h PRO 60 Cb 1.21 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.19 1s4d h PRO 60 CO 0.81 0.00 0.31 0.41 -0.21 0.00 0.00 178.00 179.32 1s4d n GLY 61 N -1.40 3.39 3.48 -0.55 0.00 -1.26 -4.88 105.19 103.96 1s4d n GLY 61 Ca 0.03 -0.66 -0.36 0.00 0.00 0.00 0.00 46.02 45.03 1s4d n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s4d s ALA 62 N -1.48 3.20 -0.79 4.61 0.00 -0.85 -4.97 121.76 121.48 1s4d s ALA 62 Ca 0.25 -1.06 -0.25 0.00 0.00 0.00 0.00 51.96 50.90 1s4d s ALA 62 Cb 0.21 -2.05 -0.04 0.00 0.00 0.00 0.00 23.12 21.23 1s4d s ALA 62 CO 0.03 -0.37 1.95 0.14 0.00 0.00 0.00 175.76 177.51 1s4d s VAL 63 N 1.39 3.39 0.11 0.00 -7.23 -1.00 -4.89 120.40 112.17 1s4d s VAL 63 Ca 0.05 -0.15 -0.31 0.00 -1.81 0.00 0.00 61.98 59.76 1s4d s VAL 63 Cb -0.15 -3.92 -0.08 0.00 0.56 0.00 0.00 36.38 32.80 1s4d s VAL 63 CO 0.04 -0.87 1.39 -0.76 -0.31 0.00 0.00 175.10 174.59 1s4d s LEU 64 N 10.00 4.37 0.09 1.32 1.43 -1.26 -3.80 118.68 130.82 1s4d s LEU 64 Ca 0.71 2.33 0.08 0.00 -1.03 0.00 0.00 54.13 56.21 1s4d s LEU 64 Cb -0.09 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.51 1s4d s LEU 64 CO 0.08 -0.66 -0.20 -1.61 0.23 0.00 0.00 176.35 174.19 1s4d s GLU 65 N 1.13 1.15 -0.00 1.70 2.02 -0.93 -5.02 118.70 118.74 1s4d s GLU 65 Ca 0.65 -1.09 0.04 0.00 0.02 0.00 0.00 54.97 54.59 1s4d s GLU 65 Cb -0.37 -1.35 -0.03 0.00 0.10 0.00 0.00 34.13 32.48 1s4d s GLU 65 CO 0.30 0.32 -0.10 0.12 0.02 0.00 0.00 175.26 175.93 1s4d s PHE 66 N -1.09 2.81 -0.04 1.61 5.36 -1.26 -2.72 117.98 122.65 1s4d s PHE 66 Ca 0.06 -0.09 -0.07 0.00 -0.96 0.00 0.00 56.93 55.87 1s4d s PHE 66 Cb -0.10 -1.59 -0.04 0.00 -0.34 0.00 0.00 43.02 40.96 1s4d s PHE 66 CO 0.03 0.32 0.38 0.00 -1.46 0.00 0.00 175.22 174.50 1s4d h ALA 67 N 4.67 -0.34 0.00 11.12 0.00 -1.88 -3.48 119.26 129.35 1s4d h ALA 67 Ca -0.48 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1s4d h ALA 67 Cb 1.16 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1s4d h ALA 67 CO 0.52 -0.32 0.00 0.41 0.00 0.00 0.00 179.25 179.86 1s4d n GLY 68 N 0.95 0.28 3.79 0.00 0.00 -1.26 -4.91 105.19 104.04 1s4d n GLY 68 Ca -0.03 0.69 -0.04 0.00 0.00 0.00 0.00 46.02 46.65 1s4d n GLY 68 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s4d s LYS 69 N 0.00 1.30 -1.02 1.61 -2.85 -1.26 -4.87 119.74 112.65 1s4d s LYS 69 Ca 0.00 -0.76 -0.23 0.00 -1.00 0.00 0.00 55.97 53.98 1s4d s LYS 69 Cb 0.00 0.42 -0.00 0.00 -2.06 0.00 0.00 37.83 36.18 1s4d s LYS 69 CO 0.00 -0.60 1.73 0.20 0.10 0.00 0.00 175.35 176.79 1s4d s GLY 71 N -3.05 0.74 0.00 0.59 0.00 -1.26 -4.78 107.32 99.55 1s4d s GLY 71 Ca 0.15 -2.01 0.00 0.00 0.00 0.00 0.00 44.72 42.86 1s4d s GLY 71 CO 0.04 3.11 0.00 0.61 0.00 0.00 0.00 173.10 176.86 1s4d n GLY 72 N 6.61 0.19 3.36 0.20 0.00 -1.26 -5.09 105.19 109.19 1s4d n GLY 72 Ca 0.39 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 1s4d n GLY 72 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s4d s LYS 73 N -0.07 2.79 0.37 1.61 2.20 -1.26 -5.08 119.74 120.30 1s4d s LYS 73 Ca 0.00 -1.18 -0.10 0.00 -0.36 0.00 0.00 55.97 54.33 1s4d s LYS 73 Cb 0.00 -3.79 -0.07 0.00 -1.51 0.00 0.00 37.83 32.47 1s4d s LYS 73 CO 0.00 -0.78 0.72 -1.25 -0.36 0.00 0.00 175.35 173.68 1s4d s PRO 74 N 1.54 3.79 0.00 4.03 0.04 -1.26 -4.94 135.00 138.19 1s4d s PRO 74 Ca 0.02 0.41 0.00 0.00 0.04 0.00 0.00 61.00 61.48 1s4d s PRO 74 Cb -0.20 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 31.89 1s4d s PRO 74 CO 0.06 0.05 0.00 0.45 0.04 0.00 0.00 177.00 177.60 1s4d n SER 75 N -1.05 0.00 -4.04 6.66 2.88 -1.26 -4.49 113.62 112.32 1s4d n SER 75 Ca 0.02 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.27 1s4d n SER 75 Cb 0.54 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.83 1s4d n SER 75 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1s4d s LYS 77 N 3.12 2.19 0.23 -1.46 -0.14 -1.26 -4.96 119.74 117.46 1s4d s LYS 77 Ca 0.00 -0.54 0.07 0.00 -1.36 0.00 0.00 55.97 54.14 1s4d s LYS 77 Cb 0.00 -1.92 0.70 0.00 -1.68 0.00 0.00 37.83 34.93 1s4d s LYS 77 CO 0.00 -0.12 1.07 0.94 -0.76 0.00 0.00 175.35 176.48 1s4d n GLN 78 N 4.39 -0.05 -0.07 1.68 -0.06 -1.26 0.87 117.38 122.89 1s4d n GLN 78 Ca -0.18 0.98 0.20 0.00 -2.00 0.00 0.00 57.00 56.00 1s4d n GLN 78 Cb 0.51 -1.65 0.64 0.00 -4.06 0.00 0.00 30.24 25.68 1s4d n GLN 78 CO 0.00 0.00 0.00 -0.09 -0.20 0.00 0.00 177.06 176.77 1s4d h ARG 79 N 0.00 0.11 -0.40 3.69 2.43 -1.98 -0.49 114.38 117.74 1s4d h ARG 79 Ca 0.49 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.62 1s4d h ARG 79 Cb 1.16 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.67 1s4d h ARG 79 CO -0.59 0.08 0.12 -0.44 -1.51 0.00 0.00 179.97 177.63 1s4d h ASP 80 N 0.12 0.59 -0.16 -3.80 5.19 0.09 -0.79 116.42 117.66 1s4d h ASP 80 Ca 0.31 -0.21 -0.01 0.00 -0.62 0.00 0.00 57.03 56.51 1s4d h ASP 80 Cb 1.07 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 40.41 1s4d h ASP 80 CO -0.04 0.65 0.08 0.40 -3.12 0.00 0.00 179.24 177.21 1s4d h ILE 81 N 0.51 1.12 -0.42 0.35 5.03 -1.24 0.70 117.51 123.55 1s4d h ILE 81 Ca 0.13 -0.33 0.07 0.00 -0.12 0.00 0.00 64.86 64.60 1s4d h ILE 81 Cb 0.27 1.04 -0.06 0.00 -3.03 0.00 0.00 36.82 35.05 1s4d h ILE 81 CO -0.00 0.11 0.09 0.28 -0.68 0.00 0.00 178.15 177.94 1s4d h SER 82 N 0.14 0.01 -0.70 1.72 0.02 -1.38 -2.08 113.55 111.29 1s4d h SER 82 Ca 0.06 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1s4d h SER 82 Cb 0.10 0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 1s4d h SER 82 CO -0.01 0.04 0.44 -0.07 -1.14 0.00 0.00 176.83 176.10 1s4d h LEU 83 N 0.22 0.82 -1.31 5.07 3.38 -0.83 -1.95 115.31 120.72 1s4d h LEU 83 Ca 0.21 -0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.22 1s4d h LEU 83 Cb 0.25 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.74 1s4d h LEU 83 CO -0.27 0.61 0.53 -0.09 0.09 0.00 0.00 178.44 179.31 1s4d h ARG 84 N 0.95 0.76 -0.51 1.13 9.65 -0.50 -0.84 114.38 125.01 1s4d h ARG 84 Ca 0.25 -0.05 -0.05 0.00 -1.10 0.00 0.00 59.98 59.04 1s4d h ARG 84 Cb -0.07 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 28.31 1s4d h ARG 84 CO -0.05 0.50 0.14 -0.07 2.80 0.00 0.00 179.97 183.30 1s4d h LEU 85 N 0.78 0.76 -1.02 3.80 3.38 -0.68 -1.62 115.31 120.71 1s4d h LEU 85 Ca 0.37 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 1s4d h LEU 85 Cb 0.39 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1s4d h LEU 85 CO -0.14 0.78 -0.44 -0.37 0.09 0.00 0.00 178.44 178.36 1s4d h VAL 86 N 0.71 1.32 -0.00 1.22 -1.51 -0.83 -1.19 116.25 115.97 1s4d h VAL 86 Ca 0.16 -1.56 -0.17 0.00 -1.23 0.00 0.00 66.70 63.90 1s4d h VAL 86 Cb 0.30 1.78 -0.02 0.00 -2.13 0.00 0.00 31.29 31.23 1s4d h VAL 86 CO -0.00 0.45 -0.80 -0.08 -1.23 0.00 0.00 177.57 175.91 1s4d h GLU 87 N 0.08 0.06 0.00 5.19 4.81 -1.10 -1.81 114.58 121.82 1s4d h GLU 87 Ca 0.00 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1s4d h GLU 87 Cb 0.82 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.22 1s4d h GLU 87 CO 0.06 0.83 -0.00 -0.07 -0.73 0.00 0.00 179.01 179.10 1s4d h LEU 88 N 0.04 -0.00 -0.91 1.64 4.07 -1.12 -3.03 115.31 115.99 1s4d h LEU 88 Ca -0.02 -0.36 0.01 0.00 0.08 0.00 0.00 57.88 57.59 1s4d h LEU 88 Cb 1.41 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 43.11 1s4d h LEU 88 CO 0.11 0.36 0.60 0.00 -1.08 0.00 0.00 178.44 178.43 1s4d h ALA 89 N 0.63 1.15 -0.16 1.53 0.00 -1.18 -1.93 119.26 119.31 1s4d h ALA 89 Ca -0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1s4d h ALA 89 Cb 0.36 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1s4d h ALA 89 CO 0.00 0.55 -0.06 0.00 0.00 0.00 0.00 179.25 179.74 1s4d h ARG 90 N 1.23 0.24 -0.02 0.00 3.08 -1.41 -2.05 114.38 115.45 1s4d h ARG 90 Ca 0.33 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.34 1s4d h ARG 90 Cb -0.14 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 29.87 1s4d h ARG 90 CO -0.07 0.31 0.00 0.00 -1.07 0.00 0.00 179.97 179.14 1s4d n ALA 91 N -2.50 2.52 -0.82 0.04 0.00 -0.74 -4.88 120.51 114.13 1s4d n ALA 91 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1s4d n ALA 91 Cb 0.21 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1s4d n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s4d n GLY 92 N 0.60 0.53 3.76 0.00 0.00 -0.77 -5.04 105.19 104.27 1s4d n GLY 92 Ca 0.04 -0.52 -0.39 0.00 0.00 0.00 0.00 46.02 45.15 1s4d n GLY 92 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1s4d s ASN 93 N -2.47 7.41 -0.53 1.61 -0.87 -1.12 -4.60 114.94 114.37 1s4d s ASN 93 Ca 0.00 1.98 -0.26 0.00 -1.57 0.00 0.00 52.86 53.01 1s4d s ASN 93 Cb 0.00 -2.60 0.03 0.00 -0.02 0.00 0.00 41.25 38.66 1s4d s ASN 93 CO 0.00 -0.02 1.05 -0.13 -2.57 0.00 0.00 177.10 175.43 1s4d s ARG 94 N -1.60 3.49 -0.21 -0.60 0.52 -1.23 -3.69 118.95 115.63 1s4d s ARG 94 Ca 0.46 0.11 -0.07 0.00 -0.52 0.00 0.00 55.73 55.71 1s4d s ARG 94 Cb -0.25 -3.99 -0.04 0.00 0.52 0.00 0.00 34.95 31.20 1s4d s ARG 94 CO 0.31 -1.48 0.06 0.08 0.02 0.00 0.00 175.30 174.29 1s4d s VAL 95 N 4.31 4.55 -0.34 3.52 1.01 -0.26 -2.81 120.40 130.38 1s4d s VAL 95 Ca 0.38 -0.11 -0.05 0.00 0.00 0.00 0.00 61.98 62.21 1s4d s VAL 95 Cb -0.10 -3.08 0.05 0.00 0.00 0.00 0.00 36.38 33.26 1s4d s VAL 95 CO 0.25 0.41 0.09 -0.22 0.00 0.00 0.00 175.10 175.63 1s4d s LEU 96 N 0.90 4.36 -0.41 3.92 2.96 0.00 -0.69 118.68 129.72 1s4d s LEU 96 Ca 0.04 -1.31 -0.23 0.00 -0.22 0.00 0.00 54.13 52.41 1s4d s LEU 96 Cb -0.14 -1.82 0.02 0.00 0.50 0.00 0.00 46.19 44.74 1s4d s LEU 96 CO 0.03 -0.35 0.78 -0.60 -1.32 0.00 0.00 176.35 174.89 1s4d s ARG 97 N 1.33 3.58 -0.69 1.98 6.06 0.15 -1.49 118.95 129.86 1s4d s ARG 97 Ca -0.01 0.10 -0.06 0.00 -2.50 0.00 0.00 55.73 53.25 1s4d s ARG 97 Cb -0.20 -3.87 0.18 0.00 0.06 0.00 0.00 34.95 31.11 1s4d s ARG 97 CO 0.01 -0.98 0.54 -1.17 -2.50 0.00 0.00 175.30 171.20 1s4d s LEU 98 N 3.19 5.70 0.18 -0.88 1.98 0.11 0.63 118.68 129.59 1s4d s LEU 98 Ca 0.30 -2.81 -0.18 0.00 -2.89 0.00 0.00 54.13 48.55 1s4d s LEU 98 Cb -0.13 -1.96 -0.08 0.00 0.66 0.00 0.00 46.19 44.68 1s4d s LEU 98 CO 0.20 -0.43 0.66 -0.54 -1.89 0.00 0.00 176.35 174.35 1s4d s LYS 99 N -0.01 4.19 0.51 1.98 1.02 0.16 -3.26 119.74 124.34 1s4d s LYS 99 Ca 0.17 0.77 -0.23 0.00 0.02 0.00 0.00 55.97 56.70 1s4d s LYS 99 Cb -0.17 -2.95 -0.06 0.00 -0.52 0.00 0.00 37.83 34.13 1s4d s LYS 99 CO -0.05 0.45 1.34 0.20 -0.92 0.00 0.00 175.35 176.37 1s4d s GLY 100 N -1.58 2.88 0.00 -3.33 0.00 -1.26 -0.64 107.32 103.38 1s4d s GLY 100 Ca 0.40 1.29 0.00 0.00 0.00 0.00 0.00 44.72 46.41 1s4d s GLY 100 CO 0.21 1.83 0.00 0.61 0.00 0.00 0.00 173.10 175.74 1s4d n GLY 101 N 0.66 2.42 3.13 0.20 0.00 -0.93 -4.49 105.19 106.18 1s4d n GLY 101 Ca 0.09 0.31 -0.28 0.00 0.00 0.00 0.00 46.02 46.13 1s4d n GLY 101 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s4d s ASP 102 N -4.00 2.46 0.56 1.61 2.15 -1.26 -1.56 116.67 116.63 1s4d s ASP 102 Ca 0.00 -0.43 0.31 0.00 0.43 0.00 0.00 52.55 52.86 1s4d s ASP 102 Cb 0.00 -1.06 1.46 0.00 -0.30 0.00 0.00 42.92 43.03 1s4d s ASP 102 CO 0.00 0.11 1.87 -0.65 -0.17 0.00 0.00 175.17 176.33 1s4d h PRO 103 N 6.73 0.00 -0.41 4.34 0.11 -1.82 -2.15 132.00 138.79 1s4d h PRO 103 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1s4d h PRO 103 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1s4d h PRO 103 CO 0.47 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.45 1s4d n PHE 104 N -4.02 0.54 -3.72 0.65 0.99 -1.26 -2.61 117.46 108.03 1s4d n PHE 104 Ca 0.15 -0.37 -0.37 0.00 -0.00 0.00 0.00 57.45 56.86 1s4d n PHE 104 Cb 0.89 -0.01 -0.10 0.00 -1.00 0.00 0.00 39.48 39.26 1s4d n PHE 104 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 1s4d s VAL 105 N -1.12 3.61 -0.78 -4.37 1.01 -0.81 -4.72 120.40 113.23 1s4d s VAL 105 Ca 0.33 -2.53 0.00 0.00 0.00 0.00 0.00 61.98 59.77 1s4d s VAL 105 Cb 0.18 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 33.16 1s4d s VAL 105 CO 0.24 -0.80 0.00 0.49 0.00 0.00 0.00 175.10 175.03 1s4d n PHE 106 N 4.01 -0.77 0.00 5.22 3.01 -1.26 -4.80 117.46 122.87 1s4d n PHE 106 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.49 1s4d n PHE 106 Cb 0.39 -1.91 0.00 0.00 -0.01 0.00 0.00 39.48 37.95 1s4d n PHE 106 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1s4d n GLY 107 N -0.21 -0.19 2.70 1.37 0.00 -1.26 -5.01 105.19 102.59 1s4d n GLY 107 Ca -0.08 -1.37 -0.07 0.00 0.00 0.00 0.00 46.02 44.50 1s4d n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s4d n ARG 108 N 0.00 1.51 0.10 1.61 1.74 -1.25 -4.93 116.66 115.44 1s4d n ARG 108 Ca 0.00 -3.42 -0.18 0.00 -0.77 0.00 0.00 57.85 53.48 1s4d n ARG 108 Cb 0.00 -1.44 -0.12 0.00 -1.02 0.00 0.00 32.46 29.87 1s4d n ARG 108 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1s4d h GLY 109 N 2.82 0.46 0.96 -0.13 0.00 -1.89 -1.36 103.07 103.93 1s4d h GLY 109 Ca -0.09 -1.06 -0.01 0.00 0.00 0.00 0.00 47.33 46.17 1s4d h GLY 109 CO 0.40 0.93 0.21 -1.33 0.00 0.00 0.00 176.54 176.75 1s4d h GLY 110 N 1.05 0.64 1.00 4.60 0.00 -1.92 -2.12 103.07 106.31 1s4d h GLY 110 Ca -0.16 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 1s4d h GLY 110 CO 0.22 0.29 0.35 0.83 0.00 0.00 0.00 176.54 178.23 1s4d h GLU 111 N 0.54 0.91 -0.14 4.80 5.08 -1.95 -2.66 114.58 121.16 1s4d h GLU 111 Ca 0.15 -0.11 -0.10 0.00 -1.00 0.00 0.00 59.36 58.30 1s4d h GLU 111 Cb 0.09 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1s4d h GLU 111 CO -0.02 0.69 -0.36 0.93 -1.00 0.00 0.00 179.01 179.26 1s4d h GLU 112 N 0.89 0.29 -0.19 2.33 5.08 -1.18 -3.18 114.58 118.62 1s4d h GLU 112 Ca 0.23 -0.12 -0.19 0.00 -1.00 0.00 0.00 59.36 58.27 1s4d h GLU 112 Cb 0.05 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1s4d h GLU 112 CO -0.04 0.61 -0.65 0.00 -1.00 0.00 0.00 179.01 177.93 1s4d h ALA 113 N 1.39 0.49 0.00 3.43 0.00 -1.12 -2.64 119.26 120.81 1s4d h ALA 113 Ca 0.03 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1s4d h ALA 113 Cb 0.75 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1s4d h ALA 113 CO 0.06 0.70 -0.00 1.37 0.00 0.00 0.00 179.25 181.37 1s4d h LEU 114 N 0.52 0.00 -0.49 0.00 8.10 -1.53 0.60 115.31 122.51 1s4d h LEU 114 Ca -0.02 -0.00 -0.17 0.00 0.11 0.00 0.00 57.88 57.81 1s4d h LEU 114 Cb 1.25 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.46 1s4d h LEU 114 CO 0.13 0.00 -0.64 0.74 -4.11 0.00 0.00 178.44 174.56 1s4d h THR 115 N 0.00 1.36 -0.11 0.15 2.02 -1.53 -0.78 112.91 114.02 1s4d h THR 115 Ca 0.00 -1.98 -0.01 0.00 0.77 0.00 0.00 66.41 65.19 1s4d h THR 115 Cb 0.89 1.96 -0.00 0.00 -1.74 0.00 0.00 68.15 69.26 1s4d h THR 115 CO 0.00 0.60 0.03 -0.07 0.37 0.00 0.00 175.52 176.45 1s4d h LEU 116 N 0.32 0.16 0.09 2.58 4.07 -1.09 -2.19 115.31 119.26 1s4d h LEU 116 Ca -0.01 -0.23 0.01 0.00 0.08 0.00 0.00 57.88 57.73 1s4d h LEU 116 Cb 1.19 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 42.87 1s4d h LEU 116 CO 0.11 0.34 -0.12 0.58 -1.08 0.00 0.00 178.44 178.28 1s4d h VAL 117 N -0.03 0.72 0.00 1.22 2.07 -0.88 -0.33 116.25 119.02 1s4d h VAL 117 Ca 0.03 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 1s4d h VAL 117 Cb 0.25 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1s4d h VAL 117 CO 0.00 0.00 -0.06 -0.33 0.02 0.00 0.00 177.57 177.20 1s4d h GLU 118 N -0.25 0.00 -0.65 1.57 4.39 -1.16 0.05 114.58 118.52 1s4d h GLU 118 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1s4d h GLU 118 Cb 0.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1s4d h GLU 118 CO -0.06 0.06 0.00 0.72 -1.16 0.00 0.00 179.01 178.58 1s4d n HIS 119 N -3.64 1.54 -3.57 4.33 8.25 -0.82 -4.97 115.22 116.33 1s4d n HIS 119 Ca -0.02 -0.59 -0.20 0.00 -0.26 0.00 0.00 57.72 56.64 1s4d n HIS 119 Cb 0.17 -0.29 0.07 0.00 1.12 0.00 0.00 29.99 31.06 1s4d n HIS 119 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1s4d n GLN 120 N 0.99 -6.20 -4.28 -0.41 1.13 0.00 -5.00 117.38 103.61 1s4d n GLN 120 Ca 0.25 0.76 -0.32 0.00 -1.94 0.00 0.00 57.00 55.75 1s4d n GLN 120 Cb 0.91 -5.63 -0.16 0.00 0.11 0.00 0.00 30.24 25.47 1s4d n GLN 120 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1s4d s VAL 121 N -3.45 1.96 0.70 5.09 1.01 -0.20 -5.03 120.40 120.48 1s4d s VAL 121 Ca 0.13 -0.89 -0.15 0.00 0.00 0.00 0.00 61.98 61.07 1s4d s VAL 121 Cb -0.06 -1.76 0.02 0.00 0.00 0.00 0.00 36.38 34.58 1s4d s VAL 121 CO 0.76 0.53 1.16 -2.84 0.00 0.00 0.00 175.10 174.71 1s4d s PRO 122 N 1.17 2.44 0.02 2.72 0.02 -1.26 -4.22 135.00 135.88 1s4d s PRO 122 Ca 0.01 1.57 -0.21 0.00 0.02 0.00 0.00 61.00 62.39 1s4d s PRO 122 Cb -0.14 -1.89 0.04 0.00 0.02 0.00 0.00 34.50 32.54 1s4d s PRO 122 CO -0.09 -1.56 0.47 -0.59 -0.33 0.00 0.00 177.00 174.90 1s4d s PHE 123 N -2.17 -0.36 -0.03 6.54 -0.12 -1.26 -2.48 117.98 118.09 1s4d s PHE 123 Ca 0.71 0.46 0.06 0.00 -0.05 0.00 0.00 56.93 58.10 1s4d s PHE 123 Cb -0.25 0.27 -0.01 0.00 -0.63 0.00 0.00 43.02 42.40 1s4d s PHE 123 CO 0.43 -0.57 -0.20 0.50 -0.05 0.00 0.00 175.22 175.34 1s4d s ARG 124 N -2.06 1.82 -0.21 1.99 3.52 -1.03 -4.99 118.95 118.00 1s4d s ARG 124 Ca -0.08 -0.72 -0.15 0.00 -0.13 0.00 0.00 55.73 54.66 1s4d s ARG 124 Cb -0.01 -1.66 -0.04 0.00 -1.56 0.00 0.00 34.95 31.67 1s4d s ARG 124 CO 0.01 0.37 0.36 0.42 -0.81 0.00 0.00 175.30 175.65 1s4d s ILE 125 N -0.27 5.22 -0.34 4.11 -1.09 -1.26 -1.20 121.20 126.37 1s4d s ILE 125 Ca 0.03 0.61 -0.08 0.00 -2.23 0.00 0.00 60.65 58.98 1s4d s ILE 125 Cb -0.10 -3.69 0.03 0.00 -1.58 0.00 0.00 42.46 37.13 1s4d s ILE 125 CO 0.01 0.26 0.13 -0.69 -1.23 0.00 0.00 174.94 173.41 1s4d s VAL 126 N 1.32 3.99 0.73 2.92 1.01 -0.73 -4.98 120.40 124.66 1s4d s VAL 126 Ca 0.17 -1.03 -0.16 0.00 0.00 0.00 0.00 61.98 60.96 1s4d s VAL 126 Cb -0.15 -3.23 -0.00 0.00 0.00 0.00 0.00 36.38 33.00 1s4d s VAL 126 CO 0.07 -0.17 0.84 -2.65 0.00 0.00 0.00 175.10 173.19 1s4d n PRO 127 N 4.86 0.41 -4.25 2.72 -0.02 -1.26 -1.50 135.00 135.97 1s4d n PRO 127 Ca -0.12 0.19 -0.16 0.00 -2.02 0.00 0.00 63.50 61.39 1s4d n PRO 127 Cb 0.45 -2.11 -0.09 0.00 -0.02 0.00 0.00 33.50 31.73 1s4d n PRO 127 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1s4d s GLY 128 N -1.62 1.86 -0.11 -1.23 0.00 -1.26 -4.47 107.32 100.49 1s4d s GLY 128 Ca 0.71 -1.85 -0.30 0.00 0.00 0.00 0.00 44.72 43.28 1s4d s GLY 128 CO 0.53 -1.46 1.16 -0.42 0.00 0.00 0.00 173.10 172.91 1s4d s ILE 129 N -3.81 4.41 0.16 0.90 -1.09 -1.25 -4.40 121.20 116.11 1s4d s ILE 129 Ca 0.39 1.71 -0.16 0.00 -2.23 0.00 0.00 60.65 60.37 1s4d s ILE 129 Cb 0.05 -4.10 -0.07 0.00 -1.58 0.00 0.00 42.46 36.76 1s4d s ILE 129 CO 0.19 -0.06 0.59 0.28 -1.23 0.00 0.00 174.94 174.71 1s4d s THR 130 N 2.62 4.78 0.38 2.92 -1.32 -1.26 -3.35 115.64 120.40 1s4d s THR 130 Ca 0.53 0.96 0.08 0.00 -1.21 0.00 0.00 61.69 62.05 1s4d s THR 130 Cb -0.22 -3.77 0.31 0.00 -1.51 0.00 0.00 72.50 67.31 1s4d s THR 130 CO 0.17 0.25 1.95 0.00 -2.21 0.00 0.00 174.62 174.78 1s4d h ALA 131 N 3.57 1.80 0.00 11.08 0.00 -1.95 -0.93 119.26 132.83 1s4d h ALA 131 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1s4d h ALA 131 Cb 1.19 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1s4d h ALA 131 CO 0.65 0.06 0.00 0.78 0.00 0.00 0.00 179.25 180.75 1s4d h GLY 132 N 0.67 0.00 0.00 0.00 0.00 -1.95 -2.10 103.07 99.69 1s4d h GLY 132 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 1s4d h GLY 132 CO -0.12 0.00 -0.01 1.39 0.00 0.00 0.00 176.54 177.80 1s4d n ILE 133 N -2.37 0.07 -0.14 2.60 5.41 -0.60 -4.52 119.36 119.81 1s4d n ILE 133 Ca 0.01 0.14 -0.07 0.00 1.00 0.00 0.00 62.75 63.83 1s4d n ILE 133 Cb 0.21 -1.17 0.01 0.00 -0.71 0.00 0.00 39.64 37.99 1s4d n ILE 133 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1s4d h GLY 134 N -0.01 0.60 0.47 7.39 0.00 -1.40 0.31 103.07 110.42 1s4d h GLY 134 Ca 0.00 -0.21 0.05 0.00 0.00 0.00 0.00 47.33 47.17 1s4d h GLY 134 CO 0.00 0.19 -0.11 -1.33 0.00 0.00 0.00 176.54 175.30 1s4d h GLY 135 N 0.55 0.06 1.15 4.60 0.00 -1.37 -0.64 103.07 107.42 1s4d h GLY 135 Ca 0.16 0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.63 1s4d h GLY 135 CO -0.05 -0.13 0.52 1.41 0.00 0.00 0.00 176.54 178.29 1s4d h LEU 136 N -0.09 0.99 -0.93 3.11 3.38 -1.12 -2.11 115.31 118.55 1s4d h LEU 136 Ca 0.11 -0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.10 1s4d h LEU 136 Cb 0.26 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 40.69 1s4d h LEU 136 CO -0.26 0.75 0.58 0.00 0.09 0.00 0.00 178.44 179.61 1s4d h ALA 137 N 1.42 1.29 0.00 1.53 0.00 -0.01 0.90 119.26 124.40 1s4d h ALA 137 Ca 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1s4d h ALA 137 Cb -0.07 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.46 1s4d h ALA 137 CO -0.06 0.33 0.00 0.66 0.00 0.00 0.00 179.25 180.18 1s4d n TYR 138 N -4.58 0.00 0.50 0.00 4.02 -0.34 -1.66 117.16 115.11 1s4d n TYR 138 Ca 0.14 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 58.09 1s4d n TYR 138 Cb 0.20 -0.32 0.06 0.00 -0.02 0.00 0.00 39.34 39.25 1s4d n TYR 138 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1s4d n ALA 139 N -1.32 2.47 -0.48 -0.72 0.00 0.27 -4.63 120.51 116.10 1s4d n ALA 139 Ca 0.06 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.88 1s4d n ALA 139 Cb 0.11 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.14 1s4d n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s4d n GLY 140 N 0.70 0.76 3.18 0.00 0.00 -0.66 -4.68 105.19 104.49 1s4d n GLY 140 Ca 0.07 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1s4d n GLY 140 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s4d s ILE 141 N -2.00 2.90 0.16 -0.61 1.01 -0.93 -3.61 121.20 118.12 1s4d s ILE 141 Ca 0.00 -1.19 -0.29 0.00 0.00 0.00 0.00 60.65 59.16 1s4d s ILE 141 Cb 0.00 -2.56 -0.07 0.00 0.01 0.00 0.00 42.46 39.84 1s4d s ILE 141 CO 0.00 0.06 0.92 -2.16 0.00 0.00 0.00 174.94 173.77 1s4d s PRO 142 N 1.29 4.74 0.47 2.79 0.04 -1.26 -3.29 135.00 139.77 1s4d s PRO 142 Ca -0.02 1.42 0.24 0.00 0.04 0.00 0.00 61.00 62.67 1s4d s PRO 142 Cb -0.18 -3.33 1.15 0.00 0.04 0.00 0.00 34.50 32.19 1s4d s PRO 142 CO -0.03 0.38 1.95 -0.39 0.04 0.00 0.00 177.00 178.94 1s4d h VAL 143 N 3.61 0.67 -2.49 -0.36 -1.51 -1.89 -3.44 116.25 110.84 1s4d h VAL 143 Ca -0.44 -0.86 -0.53 0.00 -1.23 0.00 0.00 66.70 63.64 1s4d h VAL 143 Cb 1.21 1.55 -0.14 0.00 -2.13 0.00 0.00 31.29 31.78 1s4d h VAL 143 CO 0.70 0.20 -0.70 0.42 -1.23 0.00 0.00 177.57 176.95 1s4d s THR 144 N -3.99 1.90 -0.30 7.19 -4.23 -1.26 -4.84 115.64 110.11 1s4d s THR 144 Ca -0.02 -2.20 -0.17 0.00 -1.18 0.00 0.00 61.69 58.13 1s4d s THR 144 Cb 0.12 -2.39 0.18 0.00 1.34 0.00 0.00 72.50 71.76 1s4d s THR 144 CO 0.62 -0.35 1.16 -2.28 -0.54 0.00 0.00 174.62 173.23 1s4d s HIS 145 N -2.86 -0.30 0.26 3.99 5.04 -1.26 -5.02 115.29 115.14 1s4d s HIS 145 Ca 0.29 0.55 0.10 0.00 -1.54 0.00 0.00 55.06 54.46 1s4d s HIS 145 Cb 0.01 0.18 0.85 0.00 0.04 0.00 0.00 32.58 33.66 1s4d s HIS 145 CO 0.12 -0.15 1.18 2.89 -2.34 0.00 0.00 174.74 176.45 1s4d n ARG 146 N 4.15 -0.05 -0.03 2.88 1.85 -1.26 -1.16 116.66 123.03 1s4d n ARG 146 Ca -0.12 1.07 -0.14 0.00 -1.00 0.00 0.00 57.85 57.66 1s4d n ARG 146 Cb 0.55 -1.83 -0.10 0.00 -1.05 0.00 0.00 32.46 30.03 1s4d n ARG 146 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 177.63 179.11 1s4d h GLU 147 N 0.00 0.18 0.02 2.89 4.57 -2.06 -3.37 114.58 116.82 1s4d h GLU 147 Ca 0.57 -0.14 -0.00 0.00 -1.18 0.00 0.00 59.36 58.61 1s4d h GLU 147 Cb 1.40 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 30.02 1s4d h GLU 147 CO -0.63 0.79 -0.01 0.28 -1.18 0.00 0.00 179.01 178.26 1s4d h VAL 148 N -0.39 1.33 -3.23 0.32 2.07 -1.56 -3.48 116.25 111.31 1s4d h VAL 148 Ca -0.01 -1.13 -0.09 0.00 0.82 0.00 0.00 66.70 66.29 1s4d h VAL 148 Cb 0.82 2.08 -0.17 0.00 -1.52 0.00 0.00 31.29 32.50 1s4d h VAL 148 CO 0.03 0.29 -0.22 0.54 0.02 0.00 0.00 177.57 178.23 1s4d s ASN 149 N -5.65 -0.16 0.00 0.57 4.22 -0.99 -4.79 114.94 108.14 1s4d s ASN 149 Ca -0.16 -0.13 0.06 0.00 -2.14 0.00 0.00 52.86 50.49 1s4d s ASN 149 Cb 0.02 0.37 0.03 0.00 1.28 0.00 0.00 41.25 42.95 1s4d s ASN 149 CO 0.66 -0.61 0.63 1.41 -2.04 0.00 0.00 177.10 177.15 1s4d n HIS 150 N 0.62 0.00 -3.75 1.54 8.25 -1.26 -4.32 115.22 116.30 1s4d n HIS 150 Ca -0.19 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.14 1s4d n HIS 150 Cb 0.59 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.62 1s4d n HIS 150 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1s4d s ALA 151 N -0.68 -0.80 -0.02 -1.41 0.00 -1.26 -5.13 121.76 112.46 1s4d s ALA 151 Ca 0.07 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.31 1s4d s ALA 151 Cb 0.05 0.13 0.02 0.00 0.00 0.00 0.00 23.12 23.33 1s4d s ALA 151 CO 0.10 -0.30 0.01 0.08 0.00 0.00 0.00 175.76 175.66 1s4d s VAL 152 N -1.61 0.04 -0.22 0.00 1.01 -1.26 -4.05 120.40 114.31 1s4d s VAL 152 Ca -0.12 0.14 -0.07 0.00 0.00 0.00 0.00 61.98 61.93 1s4d s VAL 152 Cb -0.04 -0.14 -0.03 0.00 0.00 0.00 0.00 36.38 36.16 1s4d s VAL 152 CO 0.03 0.10 0.06 -0.89 0.00 0.00 0.00 175.10 174.40 1s4d s THR 153 N 0.90 4.43 -0.17 3.92 2.01 -0.86 -5.01 115.64 120.87 1s4d s THR 153 Ca -0.08 -0.14 -0.11 0.00 0.31 0.00 0.00 61.69 61.67 1s4d s THR 153 Cb -0.12 -3.04 -0.05 0.00 0.01 0.00 0.00 72.50 69.31 1s4d s THR 153 CO -0.02 0.38 0.19 -0.36 -0.69 0.00 0.00 174.62 174.12 1s4d s PHE 154 N 1.16 3.46 0.11 4.92 0.40 -1.26 0.15 117.98 126.91 1s4d s PHE 154 Ca 0.04 0.46 -0.04 0.00 -0.60 0.00 0.00 56.93 56.79 1s4d s PHE 154 Cb -0.14 -2.19 -0.03 0.00 0.51 0.00 0.00 43.02 41.17 1s4d s PHE 154 CO 0.03 0.34 0.11 -0.48 0.70 0.00 0.00 175.22 175.92 1s4d s LEU 155 N 0.17 1.73 -0.19 -0.37 -0.00 -0.50 -4.97 118.68 114.53 1s4d s LEU 155 Ca 0.12 -0.97 -0.09 0.00 -0.00 0.00 0.00 54.13 53.20 1s4d s LEU 155 Cb -0.12 0.61 -0.04 0.00 -0.00 0.00 0.00 46.19 46.64 1s4d s LEU 155 CO 0.01 -0.73 0.09 0.28 -0.00 0.00 0.00 176.35 176.01 1s4d s THR 156 N -3.96 5.03 -2.09 5.48 -1.32 -1.26 -0.35 115.64 117.17 1s4d s THR 156 Ca 0.14 0.05 0.19 0.00 -1.21 0.00 0.00 61.69 60.86 1s4d s THR 156 Cb 0.06 -3.29 0.49 0.00 -1.51 0.00 0.00 72.50 68.26 1s4d s THR 156 CO -0.04 0.44 1.43 0.61 -2.21 0.00 0.00 174.62 174.85 1s4d n GLY 157 N 3.63 1.57 0.59 6.08 0.00 0.75 -4.93 105.19 112.88 1s4d n GLY 157 Ca -0.16 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1s4d n GLY 157 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1s4d n HIS 158 N 1.15 0.00 -0.72 1.61 -0.00 -0.88 -4.62 115.22 111.75 1s4d n HIS 158 Ca 0.19 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.37 1s4d n HIS 158 Cb 0.49 -0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.35 1s4d n HIS 158 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 1s4d n VAL 164 N 0.25 0.00 -1.71 3.57 0.31 -1.26 -5.13 118.33 114.36 1s4d n VAL 164 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.91 1s4d n VAL 164 Cb 0.00 -0.39 -0.01 0.00 -0.91 0.00 0.00 33.84 32.54 1s4d n VAL 164 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1s4d n PRO 165 N 1.26 2.22 -3.92 5.55 -0.02 -1.26 -4.99 135.00 133.84 1s4d n PRO 165 Ca 0.00 0.78 -0.30 0.00 -2.02 0.00 0.00 63.50 61.95 1s4d n PRO 165 Cb 0.00 -2.38 -0.13 0.00 -0.02 0.00 0.00 33.50 30.96 1s4d n PRO 165 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1s4d s ASP 166 N -0.27 4.49 0.17 2.55 1.01 -1.26 -5.10 116.67 118.25 1s4d s ASP 166 Ca 0.55 -3.13 -0.06 0.00 0.71 0.00 0.00 52.55 50.62 1s4d s ASP 166 Cb -0.55 -1.66 -0.06 0.00 1.01 0.00 0.00 42.92 41.65 1s4d s ASP 166 CO 0.62 -0.22 0.42 -0.60 0.21 0.00 0.00 175.17 175.61 1s4d s ARG 167 N -0.45 3.67 0.10 8.23 3.52 -1.26 -5.11 118.95 127.65 1s4d s ARG 167 Ca 0.18 0.01 0.07 0.00 -0.13 0.00 0.00 55.73 55.87 1s4d s ARG 167 Cb -0.22 -2.79 -0.03 0.00 -1.56 0.00 0.00 34.95 30.34 1s4d s ARG 167 CO -0.03 0.42 -0.19 0.42 -0.81 0.00 0.00 175.30 175.12 1s4d s ILE 168 N -1.70 1.58 -0.83 4.11 1.01 -1.26 -5.09 121.20 119.02 1s4d s ILE 168 Ca 0.43 -1.53 -0.25 0.00 0.00 0.00 0.00 60.65 59.30 1s4d s ILE 168 Cb -0.12 -1.48 0.05 0.00 0.01 0.00 0.00 42.46 40.92 1s4d s ILE 168 CO 0.24 -0.13 1.30 0.21 0.00 0.00 0.00 174.94 176.55 1s4d s ASN 169 N -1.96 6.29 0.13 3.58 3.84 -1.26 -4.86 114.94 120.70 1s4d s ASN 169 Ca 0.06 -0.90 -0.15 0.00 0.21 0.00 0.00 52.86 52.07 1s4d s ASN 169 Cb -0.09 -2.54 -0.01 0.00 -0.55 0.00 0.00 41.25 38.05 1s4d s ASN 169 CO 0.04 -1.66 1.61 -0.50 -2.79 0.00 0.00 177.10 173.81 1s4d h TRP 170 N 9.85 0.71 -0.61 0.43 4.06 -1.98 0.51 115.95 128.92 1s4d h TRP 170 Ca -0.10 -0.10 -0.03 0.00 2.06 0.00 0.00 58.89 60.72 1s4d h TRP 170 Cb 1.04 -0.20 -0.03 0.00 -1.00 0.00 0.00 29.16 28.97 1s4d h TRP 170 CO 1.16 0.69 0.27 0.37 -3.56 0.00 0.00 178.44 177.38 1s4d h GLN 171 N 0.53 0.88 -0.25 0.49 5.75 -1.89 0.70 115.11 121.32 1s4d h GLN 171 Ca 0.13 -0.13 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 1s4d h GLN 171 Cb 0.36 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.74 1s4d h GLN 171 CO 0.01 0.70 0.10 0.78 -2.65 0.00 0.00 178.83 177.77 1s4d h GLY 172 N 0.97 0.41 0.96 2.39 0.00 -1.79 -1.15 103.07 104.86 1s4d h GLY 172 Ca 0.21 -0.22 -0.05 0.00 0.00 0.00 0.00 47.33 47.27 1s4d h GLY 172 CO -0.02 0.21 0.08 -2.22 0.00 0.00 0.00 176.54 174.58 1s4d h ILE 173 N 0.26 1.24 -0.48 2.60 5.03 0.38 0.27 117.51 126.81 1s4d h ILE 173 Ca 0.08 -0.89 0.08 0.00 -0.12 0.00 0.00 64.86 64.02 1s4d h ILE 173 Cb 0.18 0.95 -0.07 0.00 -3.03 0.00 0.00 36.82 34.85 1s4d h ILE 173 CO -0.01 0.31 0.11 0.00 -0.68 0.00 0.00 178.15 177.88 1s4d h ALA 174 N 0.95 0.55 0.02 1.87 0.00 0.53 -3.00 119.26 120.18 1s4d h ALA 174 Ca 0.14 0.09 -0.21 0.00 0.00 0.00 0.00 54.91 54.94 1s4d h ALA 174 Cb 0.37 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1s4d h ALA 174 CO 0.01 -0.30 -0.96 0.77 0.00 0.00 0.00 179.25 178.77 1s4d h SER 175 N 0.25 0.12 -0.27 0.00 0.02 -1.12 -3.40 113.55 109.15 1s4d h SER 175 Ca 0.24 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1s4d h SER 175 Cb 0.31 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 1s4d h SER 175 CO -0.30 1.01 0.14 1.23 -1.14 0.00 0.00 176.83 177.76 1s4d h GLY 176 N 2.38 0.41 -6.37 -3.77 0.00 -0.79 -3.45 103.07 91.49 1s4d h GLY 176 Ca -0.04 -0.20 -0.28 0.00 0.00 0.00 0.00 47.33 46.81 1s4d h GLY 176 CO 0.14 0.19 -0.71 -0.56 0.00 0.00 0.00 176.54 175.59 1s4d s SER 177 N -5.60 0.04 0.36 0.19 0.01 -1.25 -4.91 113.70 102.54 1s4d s SER 177 Ca -0.13 0.07 0.26 0.00 1.31 0.00 0.00 55.95 57.45 1s4d s SER 177 Cb 0.09 -0.03 1.28 0.00 0.21 0.00 0.00 66.02 67.56 1s4d s SER 177 CO 0.72 -0.12 1.79 -0.65 0.41 0.00 0.00 173.24 175.38 1s4d h PRO 178 N 7.15 0.00 -5.07 12.44 0.11 -1.87 -3.40 132.00 141.36 1s4d h PRO 178 Ca -0.43 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.04 1s4d h PRO 178 Cb 1.13 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 31.91 1s4d h PRO 178 CO 0.48 0.00 -0.86 0.08 -0.21 0.00 0.00 178.00 177.49 1s4d s VAL 179 N -3.56 1.82 -0.04 3.15 1.01 -1.26 -4.28 120.40 117.25 1s4d s VAL 179 Ca -0.00 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.18 1s4d s VAL 179 Cb 0.08 -1.60 -0.01 0.00 0.00 0.00 0.00 36.38 34.84 1s4d s VAL 179 CO 0.31 0.50 -0.23 -0.63 0.00 0.00 0.00 175.10 175.06 1s4d s ILE 180 N 0.65 1.85 -0.09 2.22 1.01 -0.39 -2.02 121.20 124.43 1s4d s ILE 180 Ca -0.13 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.55 1s4d s ILE 180 Cb -0.16 -1.55 0.02 0.00 0.01 0.00 0.00 42.46 40.78 1s4d s ILE 180 CO 0.03 0.52 -0.08 -0.69 0.00 0.00 0.00 174.94 174.73 1s4d s VAL 181 N -0.31 0.92 -0.10 2.92 1.01 0.12 -0.65 120.40 124.32 1s4d s VAL 181 Ca 0.02 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 61.77 1s4d s VAL 181 Cb -0.11 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.34 1s4d s VAL 181 CO 0.01 0.34 -0.21 -0.04 0.00 0.00 0.00 175.10 175.20 1s4d s MET 182 N 1.37 2.73 -0.03 2.72 1.00 0.13 -1.42 119.30 125.81 1s4d s MET 182 Ca -0.02 -0.77 -0.05 0.00 0.00 0.00 0.00 55.69 54.85 1s4d s MET 182 Cb -0.14 -2.10 -0.04 0.00 0.00 0.00 0.00 34.83 32.55 1s4d s MET 182 CO -0.04 0.13 0.21 0.71 0.00 0.00 0.00 175.02 176.02 1s4d s TYR 183 N 0.46 3.57 -1.50 -0.03 1.51 0.52 -1.80 117.35 120.09 1s4d s TYR 183 Ca -0.17 0.48 -0.11 0.00 -1.01 0.00 0.00 57.07 56.26 1s4d s TYR 183 Cb -0.17 -1.91 0.07 0.00 -0.11 0.00 0.00 41.96 39.83 1s4d s TYR 183 CO 0.07 0.66 0.86 -1.33 -1.11 0.00 0.00 175.55 174.69 1s4d n MET 184 N 1.24 -4.94 -0.04 -0.62 2.81 -1.26 -0.18 117.12 114.13 1s4d n MET 184 Ca -0.13 0.56 0.09 0.00 -1.81 0.00 0.00 57.70 56.41 1s4d n MET 184 Cb 0.53 -5.30 0.10 0.00 -0.71 0.00 0.00 33.22 27.84 1s4d n MET 184 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1s4d n ALA 185 N -4.55 2.44 -0.00 3.04 0.00 -1.26 -2.08 120.51 118.11 1s4d n ALA 185 Ca -0.05 -0.73 -0.12 0.00 0.00 0.00 0.00 53.44 52.54 1s4d n ALA 185 Cb 0.57 -0.60 -0.07 0.00 0.00 0.00 0.00 19.45 19.34 1s4d n ALA 185 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1s4d h MET 186 N 3.37 0.07 0.00 0.00 2.86 -1.89 -1.31 114.93 118.03 1s4d h MET 186 Ca 0.00 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1s4d h MET 186 Cb 0.74 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.39 1s4d h MET 186 CO 0.00 0.25 0.00 1.63 1.06 0.00 0.00 176.91 179.85 1s4d n LYS 187 N -4.95 0.80 -0.26 1.72 4.76 -1.26 -3.02 118.16 115.96 1s4d n LYS 187 Ca -0.07 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.41 1s4d n LYS 187 Cb 0.13 -1.50 0.05 0.00 -1.84 0.00 0.00 35.03 31.87 1s4d n LYS 187 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1s4d n HIS 188 N -1.02 0.00 -0.25 2.13 8.25 -1.10 -4.88 115.22 118.35 1s4d n HIS 188 Ca 0.19 -0.42 0.01 0.00 -0.26 0.00 0.00 57.72 57.24 1s4d n HIS 188 Cb 0.10 -0.08 0.13 0.00 1.12 0.00 0.00 29.99 31.26 1s4d n HIS 188 CO 0.00 0.00 0.00 0.97 0.64 0.00 0.00 176.34 177.95 1s4d h ILE 189 N 3.46 0.89 0.06 1.59 6.09 -1.15 0.87 117.51 129.33 1s4d h ILE 189 Ca 0.00 -0.22 0.01 0.00 -1.37 0.00 0.00 64.86 63.28 1s4d h ILE 189 Cb 1.15 0.18 -0.03 0.00 0.47 0.00 0.00 36.82 38.59 1s4d h ILE 189 CO 0.00 0.12 -0.34 1.23 -3.07 0.00 0.00 178.15 176.09 1s4d h GLY 190 N 0.65 -1.19 1.02 8.18 0.00 -1.88 0.67 103.07 110.52 1s4d h GLY 190 Ca 0.34 0.61 0.04 0.00 0.00 0.00 0.00 47.33 48.32 1s4d h GLY 190 CO -0.24 -0.34 0.55 0.00 0.00 0.00 0.00 176.54 176.51 1s4d h ALA 191 N -0.89 1.51 0.05 3.60 0.00 -1.80 0.42 119.26 122.16 1s4d h ALA 191 Ca -0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1s4d h ALA 191 Cb 0.49 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1s4d h ALA 191 CO -0.19 0.39 -0.03 0.82 0.00 0.00 0.00 179.25 180.24 1s4d h ILE 192 N 1.01 1.21 -0.77 0.00 2.04 -0.62 -0.46 117.51 119.91 1s4d h ILE 192 Ca 0.34 -0.89 0.02 0.00 1.00 0.00 0.00 64.86 65.32 1s4d h ILE 192 Cb 0.09 1.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.92 1s4d h ILE 192 CO -0.11 0.22 0.51 0.71 0.00 0.00 0.00 178.15 179.48 1s4d h THR 193 N -0.47 1.17 -0.42 -0.27 1.35 -0.70 -1.01 112.91 112.56 1s4d h THR 193 Ca -0.01 -0.35 0.05 0.00 -0.55 0.00 0.00 66.41 65.56 1s4d h THR 193 Cb 0.42 0.07 -0.05 0.00 -1.73 0.00 0.00 68.15 66.87 1s4d h THR 193 CO 0.01 0.18 0.15 0.00 -0.25 0.00 0.00 175.52 175.62 1s4d h ALA 194 N 1.53 0.50 -0.04 6.62 0.00 -0.77 -0.96 119.26 126.14 1s4d h ALA 194 Ca 0.29 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 1s4d h ALA 194 Cb -0.07 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1s4d h ALA 194 CO -0.07 -0.24 0.02 -0.91 0.00 0.00 0.00 179.25 178.05 1s4d h ASN 195 N 0.32 0.05 -0.85 0.00 2.35 -0.40 -0.76 115.58 116.29 1s4d h ASN 195 Ca 0.20 -0.09 0.01 0.00 -0.55 0.00 0.00 56.30 55.87 1s4d h ASN 195 Cb 0.18 -0.01 -0.04 0.00 0.05 0.00 0.00 38.32 38.50 1s4d h ASN 195 CO -0.20 0.12 0.56 -0.07 -1.65 0.00 0.00 177.43 176.20 1s4d h LEU 196 N -0.02 0.97 -0.57 1.61 3.38 -0.92 0.11 115.31 119.86 1s4d h LEU 196 Ca 0.01 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1s4d h LEU 196 Cb 0.08 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1s4d h LEU 196 CO -0.00 0.70 -0.03 0.40 0.09 0.00 0.00 178.44 179.60 1s4d h ILE 197 N 1.15 1.27 0.00 1.22 2.04 -1.17 -1.43 117.51 120.59 1s4d h ILE 197 Ca 0.31 -1.17 -0.02 0.00 1.00 0.00 0.00 64.86 64.98 1s4d h ILE 197 Cb -0.13 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1s4d h ILE 197 CO -0.07 0.42 -0.11 0.00 0.00 0.00 0.00 178.15 178.39 1s4d h ALA 198 N 0.96 1.33 -0.38 1.87 0.00 0.44 -2.32 119.26 121.17 1s4d h ALA 198 Ca 0.16 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1s4d h ALA 198 Cb 0.59 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1s4d h ALA 198 CO 0.04 0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.84 1s4d n GLY 199 N -0.77 2.50 0.76 0.00 0.00 0.21 -4.91 105.19 102.98 1s4d n GLY 199 Ca -0.02 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1s4d n GLY 199 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s4d n GLY 200 N 0.40 0.73 3.78 -0.02 0.00 -0.87 -4.61 105.19 104.60 1s4d n GLY 200 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 1s4d n GLY 200 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s4d s ARG 201 N -0.71 4.36 0.07 1.61 1.81 -0.56 -4.98 118.95 120.56 1s4d s ARG 201 Ca 0.00 1.48 -0.31 0.00 -1.72 0.00 0.00 55.73 55.18 1s4d s ARG 201 Cb 0.00 -2.70 -0.07 0.00 -0.45 0.00 0.00 34.95 31.73 1s4d s ARG 201 CO 0.00 0.04 1.47 0.45 -0.68 0.00 0.00 175.30 176.59 1s4d s SER 202 N -1.51 6.76 0.49 0.23 0.15 -1.26 -4.32 113.70 114.23 1s4d s SER 202 Ca 0.54 2.32 0.39 0.00 0.70 0.00 0.00 55.95 59.89 1s4d s SER 202 Cb -0.22 -2.57 1.57 0.00 -1.71 0.00 0.00 66.02 63.09 1s4d s SER 202 CO 0.28 -0.75 1.60 1.55 1.20 0.00 0.00 173.24 177.12 1s4d h PRO 203 N 7.51 0.03 -0.69 5.44 0.13 -1.93 -0.96 132.00 141.53 1s4d h PRO 203 Ca -0.41 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1s4d h PRO 203 Cb 1.20 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1s4d h PRO 203 CO 0.90 0.02 0.00 -0.25 -0.23 0.00 0.00 178.00 178.44 1s4d n ASP 204 N -4.39 4.55 -4.72 1.44 8.00 -1.26 -1.58 116.55 118.59 1s4d n ASP 204 Ca 0.40 -2.31 -0.42 0.00 0.71 0.00 0.00 54.79 53.17 1s4d n ASP 204 Cb 1.68 -0.56 -0.03 0.00 -0.02 0.00 0.00 41.12 42.19 1s4d n ASP 204 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1s4d s GLU 205 N -1.59 4.25 0.22 -1.24 2.12 -0.36 -4.78 118.70 117.32 1s4d s GLU 205 Ca 0.51 2.28 -0.32 0.00 0.36 0.00 0.00 54.97 57.80 1s4d s GLU 205 Cb 0.31 -3.17 -0.12 0.00 0.26 0.00 0.00 34.13 31.42 1s4d s GLU 205 CO 0.28 -0.52 1.68 -2.14 -0.54 0.00 0.00 175.26 174.01 1s4d s PRO 206 N 0.82 4.13 0.14 4.30 0.02 -1.26 -1.06 135.00 142.09 1s4d s PRO 206 Ca 0.66 2.57 0.07 0.00 0.02 0.00 0.00 61.00 64.33 1s4d s PRO 206 Cb -0.42 -3.07 -0.04 0.00 0.02 0.00 0.00 34.50 30.99 1s4d s PRO 206 CO 0.33 -0.71 -0.16 0.14 -0.33 0.00 0.00 177.00 176.27 1s4d s VAL 207 N 0.93 1.54 -0.05 3.83 -7.23 -0.47 -1.95 120.40 117.00 1s4d s VAL 207 Ca 0.72 -1.77 0.02 0.00 -1.81 0.00 0.00 61.98 59.14 1s4d s VAL 207 Cb -0.49 -1.64 0.01 0.00 0.56 0.00 0.00 36.38 34.82 1s4d s VAL 207 CO 0.35 -0.35 -0.11 0.00 -0.31 0.00 0.00 175.10 174.68 1s4d s ALA 208 N -2.02 1.15 -0.21 1.32 0.00 -0.25 0.78 121.76 122.52 1s4d s ALA 208 Ca 0.11 -0.40 -0.14 0.00 0.00 0.00 0.00 51.96 51.53 1s4d s ALA 208 Cb -0.06 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 1s4d s ALA 208 CO 0.04 0.13 0.34 -0.06 0.00 0.00 0.00 175.76 176.21 1s4d s PHE 209 N 0.50 3.35 -0.35 0.00 0.08 -0.23 -1.60 117.98 119.73 1s4d s PHE 209 Ca -0.10 0.51 -0.01 0.00 0.12 0.00 0.00 56.93 57.44 1s4d s PHE 209 Cb -0.14 -2.46 0.08 0.00 -0.57 0.00 0.00 43.02 39.93 1s4d s PHE 209 CO 0.02 -0.00 0.09 0.08 -0.10 0.00 0.00 175.22 175.31 1s4d s VAL 210 N 1.29 2.99 -0.17 -0.44 1.01 -0.41 -0.65 120.40 124.02 1s4d s VAL 210 Ca 0.16 -1.81 -0.12 0.00 0.00 0.00 0.00 61.98 60.20 1s4d s VAL 210 Cb -0.14 -2.93 -0.05 0.00 0.00 0.00 0.00 36.38 33.26 1s4d s VAL 210 CO 0.07 -0.42 0.22 0.00 0.00 0.00 0.00 175.10 174.97 1s4d n ASN 212 N 3.45 -2.22 -4.54 0.00 4.13 -0.71 -1.54 115.26 113.83 1s4d n ASN 212 Ca -0.14 -0.93 -0.48 0.00 1.68 0.00 0.00 54.58 54.71 1s4d n ASN 212 Cb 0.52 -3.28 -0.03 0.00 -1.54 0.00 0.00 39.78 35.45 1s4d n ASN 212 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1s4d n ALA 213 N -4.44 -1.25 -2.13 5.41 0.00 -1.26 -2.44 120.51 114.40 1s4d n ALA 213 Ca -0.13 0.44 -0.11 0.00 0.00 0.00 0.00 53.44 53.64 1s4d n ALA 213 Cb 0.60 -1.91 -0.01 0.00 0.00 0.00 0.00 19.45 18.12 1s4d n ALA 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s4d n ALA 214 N 0.75 -0.32 -2.44 0.00 0.00 -1.26 -4.32 120.51 112.92 1s4d n ALA 214 Ca 0.14 0.10 -0.14 0.00 0.00 0.00 0.00 53.44 53.54 1s4d n ALA 214 Cb 0.26 -1.41 -0.11 0.00 0.00 0.00 0.00 19.45 18.19 1s4d n ALA 214 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1s4d s THR 215 N -2.55 0.93 0.54 0.00 -4.23 -1.02 -1.98 115.64 107.33 1s4d s THR 215 Ca 0.00 -1.70 0.34 0.00 -1.18 0.00 0.00 61.69 59.15 1s4d s THR 215 Cb 0.00 -1.43 0.51 0.00 1.34 0.00 0.00 72.50 72.93 1s4d s THR 215 CO 0.00 -0.60 1.85 -0.65 -0.54 0.00 0.00 174.62 174.68 1s4d h PRO 216 N 3.44 0.01 0.00 3.99 0.11 -1.96 -1.62 132.00 135.97 1s4d h PRO 216 Ca -0.37 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1s4d h PRO 216 Cb 1.19 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1s4d h PRO 216 CO 0.55 0.01 0.00 1.04 -0.21 0.00 0.00 178.00 179.38 1s4d n GLN 217 N -4.24 0.63 -1.68 1.05 1.13 -1.26 -4.92 117.38 108.10 1s4d n GLN 217 Ca 0.22 0.02 -0.46 0.00 -1.94 0.00 0.00 57.00 54.83 1s4d n GLN 217 Cb 1.09 -1.50 -0.04 0.00 0.11 0.00 0.00 30.24 29.90 1s4d n GLN 217 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 1s4d n GLN 218 N -1.07 2.32 -5.08 -1.09 7.27 -0.61 -4.80 117.38 114.31 1s4d n GLN 218 Ca 0.16 0.85 -0.31 0.00 0.07 0.00 0.00 57.00 57.76 1s4d n GLN 218 Cb 0.10 -2.68 -0.17 0.00 2.41 0.00 0.00 30.24 29.90 1s4d n GLN 218 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1s4d s ALA 219 N 2.83 2.08 -0.08 1.69 0.00 -0.59 -4.98 121.76 122.71 1s4d s ALA 219 Ca 0.86 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 51.91 1s4d s ALA 219 Cb -0.64 -0.81 -0.03 0.00 0.00 0.00 0.00 23.12 21.65 1s4d s ALA 219 CO 0.44 0.23 -0.11 0.08 0.00 0.00 0.00 175.76 176.40 1s4d s VAL 220 N 0.44 3.35 -0.16 0.00 1.01 -1.26 -0.11 120.40 123.66 1s4d s VAL 220 Ca -0.17 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.22 1s4d s VAL 220 Cb -0.17 -2.36 0.03 0.00 0.00 0.00 0.00 36.38 33.87 1s4d s VAL 220 CO 0.07 0.57 -0.11 -0.22 0.00 0.00 0.00 175.10 175.41 1s4d s LEU 221 N -0.45 1.82 0.08 3.92 1.98 0.17 -4.98 118.68 121.22 1s4d s LEU 221 Ca 0.06 -0.63 -0.23 0.00 -2.89 0.00 0.00 54.13 50.45 1s4d s LEU 221 Cb -0.12 -1.12 -0.07 0.00 0.66 0.00 0.00 46.19 45.54 1s4d s LEU 221 CO 0.02 -0.11 0.68 -1.61 -1.89 0.00 0.00 176.35 173.44 1s4d s GLU 222 N 1.50 4.41 0.00 1.98 2.02 -1.26 -1.07 118.70 126.28 1s4d s GLU 222 Ca 0.02 0.94 0.00 0.00 0.02 0.00 0.00 54.97 55.96 1s4d s GLU 222 Cb -0.14 -3.29 0.00 0.00 0.10 0.00 0.00 34.13 30.79 1s4d s GLU 222 CO -0.09 0.48 0.00 2.41 0.02 0.00 0.00 175.26 178.08 1s4d n THR 223 N 2.13 0.00 -3.68 3.63 -1.04 0.23 -4.99 114.28 110.56 1s4d n THR 223 Ca -0.06 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.81 1s4d n THR 223 Cb 0.50 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.94 1s4d n THR 223 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1s4d s THR 224 N 0.23 0.05 0.20 12.58 2.01 -1.25 -1.37 115.64 128.08 1s4d s THR 224 Ca 0.00 -0.40 -0.12 0.00 0.31 0.00 0.00 61.69 61.49 1s4d s THR 224 Cb 0.00 -0.84 0.12 0.00 0.01 0.00 0.00 72.50 71.80 1s4d s THR 224 CO 0.00 -0.22 1.85 -0.07 -0.69 0.00 0.00 174.62 175.49 1s4d h LEU 225 N 3.32 0.79 -0.98 4.42 3.38 -1.02 -0.73 115.31 124.50 1s4d h LEU 225 Ca -0.30 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.54 1s4d h LEU 225 Cb 1.18 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1s4d h LEU 225 CO 0.42 0.59 -0.30 0.00 0.09 0.00 0.00 178.44 179.24 1s4d h ALA 226 N 1.23 1.13 -0.01 1.53 0.00 -1.60 -3.26 119.26 118.29 1s4d h ALA 226 Ca 0.25 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1s4d h ALA 226 Cb -0.07 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1s4d h ALA 226 CO -0.05 0.55 -0.46 0.54 0.00 0.00 0.00 179.25 179.84 1s4d n ARG 227 N -4.10 1.30 0.05 0.00 1.74 -1.14 -4.61 116.66 109.91 1s4d n ARG 227 Ca -0.01 -0.95 -0.12 0.00 -0.77 0.00 0.00 57.85 56.00 1s4d n ARG 227 Cb 0.42 -1.44 -0.05 0.00 -1.02 0.00 0.00 32.46 30.38 1s4d n ARG 227 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1s4d h ALA 228 N 3.65 -0.46 -0.46 7.54 0.00 -1.17 -1.16 119.26 127.19 1s4d h ALA 228 Ca 0.00 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.97 1s4d h ALA 228 Cb 0.71 0.58 -0.06 0.00 0.00 0.00 0.00 17.79 19.02 1s4d h ALA 228 CO 0.00 -0.83 0.10 1.49 0.00 0.00 0.00 179.25 180.01 1s4d h GLU 229 N -0.46 0.23 -0.11 0.00 4.81 -1.82 -1.56 114.58 115.67 1s4d h GLU 229 Ca 0.07 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.15 1s4d h GLU 229 Cb 0.56 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 1s4d h GLU 229 CO -0.28 0.15 -0.53 0.00 -0.73 0.00 0.00 179.01 177.62 1s4d h ALA 230 N 1.35 0.90 -0.39 2.92 0.00 -1.85 -3.07 119.26 119.12 1s4d h ALA 230 Ca 0.23 -0.49 -0.13 0.00 0.00 0.00 0.00 54.91 54.51 1s4d h ALA 230 Cb 0.29 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1s4d h ALA 230 CO -0.29 0.68 -0.30 -0.44 0.00 0.00 0.00 179.25 178.90 1s4d h ASP 231 N 0.24 0.87 0.04 0.00 5.19 -0.63 -2.35 116.42 119.78 1s4d h ASP 231 Ca 0.01 -0.35 -0.08 0.00 -0.62 0.00 0.00 57.03 55.98 1s4d h ASP 231 Cb 1.01 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 40.27 1s4d h ASP 231 CO 0.09 1.10 -0.24 0.58 -3.12 0.00 0.00 179.24 177.65 1s4d h VAL 232 N 0.71 1.25 -0.31 -1.35 2.07 -1.33 -0.64 116.25 116.65 1s4d h VAL 232 Ca 0.08 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.45 1s4d h VAL 232 Cb 0.84 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1s4d h VAL 232 CO 0.07 0.36 0.00 0.00 0.02 0.00 0.00 177.57 178.02 1s4d n ALA 233 N -2.48 2.45 -0.02 1.67 0.00 -1.10 -2.46 120.51 118.57 1s4d n ALA 233 Ca -0.01 -0.54 -0.02 0.00 0.00 0.00 0.00 53.44 52.87 1s4d n ALA 233 Cb 0.37 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 18.81 1s4d n ALA 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s4d n ALA 234 N 0.41 1.90 0.82 0.00 0.00 -0.78 -4.61 120.51 118.25 1s4d n ALA 234 Ca 0.11 -0.23 0.12 0.00 0.00 0.00 0.00 53.44 53.43 1s4d n ALA 234 Cb 0.26 0.24 0.28 0.00 0.00 0.00 0.00 19.45 20.23 1s4d n ALA 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s4d n ALA 235 N -2.29 3.09 -2.16 0.00 0.00 -0.32 -4.96 120.51 113.87 1s4d n ALA 235 Ca -0.07 -0.26 -0.13 0.00 0.00 0.00 0.00 53.44 52.98 1s4d n ALA 235 Cb 0.61 -1.20 -0.01 0.00 0.00 0.00 0.00 19.45 18.85 1s4d n ALA 235 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s4d n GLY 236 N 1.43 -0.01 3.76 0.00 0.00 -1.03 -5.00 105.19 104.35 1s4d n GLY 236 Ca 0.05 -0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 1s4d n GLY 236 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s4d s LEU 237 N -3.71 4.46 0.31 0.99 1.02 -1.06 -5.05 118.68 115.63 1s4d s LEU 237 Ca 0.00 2.40 0.06 0.00 0.02 0.00 0.00 54.13 56.61 1s4d s LEU 237 Cb 0.00 -3.70 -0.06 0.00 0.02 0.00 0.00 46.19 42.45 1s4d s LEU 237 CO 0.00 -0.34 -0.01 -1.61 0.02 0.00 0.00 176.35 174.41 1s4d s GLU 238 N -1.69 1.63 0.72 1.70 0.41 -1.26 -4.88 118.70 115.33 1s4d s GLU 238 Ca 0.48 -1.87 -0.16 0.00 -0.41 0.00 0.00 54.97 53.02 1s4d s GLU 238 Cb -0.34 -1.13 0.03 0.00 -1.78 0.00 0.00 34.13 30.92 1s4d s GLU 238 CO 0.44 -0.04 1.23 -2.14 -0.49 0.00 0.00 175.26 174.26 1s4d s PRO 239 N -3.78 2.19 -0.06 0.39 0.02 -1.26 -4.23 135.00 128.27 1s4d s PRO 239 Ca 0.32 1.85 -0.20 0.00 0.02 0.00 0.00 61.00 62.99 1s4d s PRO 239 Cb 0.06 -1.83 -0.05 0.00 0.02 0.00 0.00 34.50 32.71 1s4d s PRO 239 CO 0.14 -1.82 0.57 -1.25 -0.33 0.00 0.00 177.00 174.31 1s4d s PRO 240 N -3.78 4.34 0.05 5.54 0.04 -1.26 -4.98 135.00 134.95 1s4d s PRO 240 Ca 0.76 0.66 0.04 0.00 0.04 0.00 0.00 61.00 62.50 1s4d s PRO 240 Cb -0.31 -3.40 -0.03 0.00 0.04 0.00 0.00 34.50 30.81 1s4d s PRO 240 CO 0.44 0.24 -0.12 0.00 0.04 0.00 0.00 177.00 177.60 1s4d s ALA 241 N 0.29 0.98 -0.17 8.56 0.00 -1.26 -1.74 121.76 128.42 1s4d s ALA 241 Ca 0.30 -0.87 -0.08 0.00 0.00 0.00 0.00 51.96 51.31 1s4d s ALA 241 Cb -0.17 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 1s4d s ALA 241 CO 0.15 0.12 0.12 0.42 0.00 0.00 0.00 175.76 176.57 1s4d s ILE 242 N -1.17 5.29 -0.20 0.00 -1.09 -0.58 -4.32 121.20 119.13 1s4d s ILE 242 Ca -0.03 0.14 -0.05 0.00 -2.23 0.00 0.00 60.65 58.47 1s4d s ILE 242 Cb -0.09 -3.37 -0.03 0.00 -1.58 0.00 0.00 42.46 37.39 1s4d s ILE 242 CO 0.01 0.51 0.01 -0.69 -1.23 0.00 0.00 174.94 173.55 1s4d s VAL 243 N -0.11 4.04 -0.05 2.92 1.01 -0.75 -1.28 120.40 126.18 1s4d s VAL 243 Ca 0.10 -0.29 0.04 0.00 0.00 0.00 0.00 61.98 61.83 1s4d s VAL 243 Cb -0.12 -2.82 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 1s4d s VAL 243 CO 0.00 0.43 -0.16 0.54 0.00 0.00 0.00 175.10 175.91 1s4d s VAL 244 N 0.91 2.90 -0.05 2.92 0.11 -0.63 0.22 120.40 126.78 1s4d s VAL 244 Ca 0.01 -0.79 0.06 0.00 -2.93 0.00 0.00 61.98 58.34 1s4d s VAL 244 Cb -0.14 -2.12 -0.01 0.00 -1.53 0.00 0.00 36.38 32.58 1s4d s VAL 244 CO 0.02 0.59 -0.23 -0.69 -3.33 0.00 0.00 175.10 171.46 1s4d s VAL 245 N -0.68 1.87 0.00 2.04 1.01 0.18 -1.10 120.40 123.72 1s4d s VAL 245 Ca 0.11 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.12 1s4d s VAL 245 Cb -0.11 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.69 1s4d s VAL 245 CO 0.00 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.24 1s4d n GLY 246 N 2.96 3.08 0.36 4.51 0.00 -0.82 -1.27 105.19 114.00 1s4d n GLY 246 Ca -0.17 -1.94 0.18 0.00 0.00 0.00 0.00 46.02 44.09 1s4d n GLY 246 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1s4d h GLU 247 N 0.00 0.00 -0.03 1.61 4.39 -1.84 -2.30 114.58 116.40 1s4d h GLU 247 Ca 0.00 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.71 1s4d h GLU 247 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1s4d h GLU 247 CO 0.00 0.00 0.11 -0.39 -1.16 0.00 0.00 179.01 177.57 1s4d h VAL 248 N 0.00 0.14 0.00 3.13 -1.51 -1.90 0.11 116.25 116.23 1s4d h VAL 248 Ca 0.13 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.57 1s4d h VAL 248 Cb 0.72 0.90 -0.00 0.00 -2.13 0.00 0.00 31.29 30.78 1s4d h VAL 248 CO -0.00 0.00 -0.13 0.58 -1.23 0.00 0.00 177.57 176.79 1s4d h VAL 249 N 0.00 0.95 0.00 7.19 2.07 -1.75 -2.21 116.25 122.50 1s4d h VAL 249 Ca 0.02 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 1s4d h VAL 249 Cb 0.23 1.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1s4d h VAL 249 CO -0.00 0.13 -0.05 0.03 0.02 0.00 0.00 177.57 177.70 1s4d h ARG 250 N 0.00 0.00 0.00 1.57 3.08 -0.99 -2.58 114.38 115.45 1s4d h ARG 250 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1s4d h ARG 250 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1s4d h ARG 250 CO 0.02 0.05 0.00 -0.07 -1.07 0.00 0.00 179.97 178.89 1s4d h LEU 251 N 0.00 0.00 -0.55 3.04 3.38 -1.54 -3.35 115.31 116.29 1s4d h LEU 251 Ca -0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1s4d h LEU 251 Cb 0.19 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1s4d h LEU 251 CO 0.01 0.00 0.37 -0.09 0.09 0.00 0.00 178.44 178.81 1s4d h ARG 252 N 0.00 0.72 0.00 1.13 2.43 -1.52 -0.20 114.38 116.95 1s4d h ARG 252 Ca 0.00 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1s4d h ARG 252 Cb 0.56 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1s4d h ARG 252 CO 0.00 0.48 -0.01 0.00 -1.51 0.00 0.00 179.97 178.93 1s4d h ALA 253 N 1.21 1.15 0.00 2.80 0.00 -1.80 0.69 119.26 123.31 1s4d h ALA 253 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1s4d h ALA 253 Cb -0.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1s4d h ALA 253 CO -0.05 0.01 -0.81 0.00 0.00 0.00 0.00 179.25 178.40 1s4d n ALA 254 N -2.15 3.42 -0.10 0.00 0.00 -0.99 -4.65 120.51 116.04 1s4d n ALA 254 Ca -0.03 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1s4d n ALA 254 Cb 0.09 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.08 1s4d n ALA 254 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1s4d n LEU 255 N -1.44 0.99 -4.56 0.00 4.77 -0.12 -4.95 117.00 111.68 1s4d n LEU 255 Ca 0.01 -0.99 -0.22 0.00 -0.03 0.00 0.00 56.01 54.79 1s4d n LEU 255 Cb 0.23 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.26 1s4d n LEU 255 CO 0.26 0.25 1.32 -0.62 -1.33 0.00 0.00 177.39 177.27 1s4d s ASP 256 N -0.08 4.63 0.05 -1.43 3.68 0.19 -4.42 116.67 119.28 1s4d s ASP 256 Ca 0.00 -0.30 -0.06 0.00 2.13 0.00 0.00 52.55 54.32 1s4d s ASP 256 Cb 0.00 -2.55 -0.29 0.00 -1.45 0.00 0.00 42.92 38.62 1s4d s ASP 256 CO 0.00 -3.19 1.03 4.11 0.13 0.00 0.00 175.17 177.25 1s4d h TRP 257 N 12.24 0.56 -0.54 -5.34 5.08 -1.90 -3.14 115.95 122.92 1s4d h TRP 257 Ca 0.03 -0.41 -0.09 0.00 1.08 0.00 0.00 58.89 59.50 1s4d h TRP 257 Cb 1.02 -0.02 -0.02 0.00 -3.00 0.00 0.00 29.16 27.13 1s4d h TRP 257 CO 1.18 1.36 -0.04 0.82 -1.28 0.00 0.00 178.44 180.48 1s4d h ILE 258 N 0.08 1.26 0.29 0.12 1.08 -1.84 -3.34 117.51 115.17 1s4d h ILE 258 Ca -0.19 -1.15 -0.01 0.00 -0.39 0.00 0.00 64.86 63.12 1s4d h ILE 258 Cb 2.02 0.89 0.00 0.00 -3.07 0.00 0.00 36.82 36.66 1s4d h ILE 258 CO 0.20 0.41 -0.14 1.23 -0.69 0.00 0.00 178.15 179.16 1s4d h GLY 259 N 0.98 -0.41 -1.36 5.37 0.00 -1.90 -3.54 103.07 102.21 1s4d h GLY 259 Ca 0.15 0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.64 1s4d h GLY 259 CO 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 176.54 176.42