#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a4s h ILE 4 N 0.00 0.83 -0.52 -0.61 2.04 -1.90 -2.24 117.51 115.11 3a4s h ILE 4 Ca 0.00 -0.97 0.03 0.00 1.00 0.00 0.00 64.86 64.91 3a4s h ILE 4 Cb 0.00 1.33 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 3a4s h ILE 4 CO 0.00 0.19 0.30 0.00 0.00 0.00 0.00 178.15 178.65 3a4s h ALA 5 N -0.24 0.67 -0.73 1.87 0.00 -1.79 -1.88 119.26 117.15 3a4s h ALA 5 Ca -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3a4s h ALA 5 Cb 0.52 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3a4s h ALA 5 CO 0.04 0.00 0.41 -0.07 0.00 0.00 0.00 179.25 179.64 3a4s h LEU 6 N 0.60 0.91 -0.57 0.00 3.38 -1.90 0.43 115.31 118.16 3a4s h LEU 6 Ca 0.21 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3a4s h LEU 6 Cb 0.04 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3a4s h LEU 6 CO -0.10 0.74 0.26 -1.28 0.09 0.00 0.00 178.44 178.14 3a4s h SER 7 N 1.01 0.77 0.46 -0.43 0.87 -1.10 -0.44 113.55 114.69 3a4s h SER 7 Ca 0.26 -0.15 -0.16 0.00 -1.23 0.00 0.00 61.79 60.51 3a4s h SER 7 Cb 0.02 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.77 3a4s h SER 7 CO -0.04 0.71 -0.69 -0.09 -0.53 0.00 0.00 176.83 176.18 3a4s h ARG 8 N 0.78 0.20 0.00 2.24 9.65 -0.98 -3.10 114.38 123.17 3a4s h ARG 8 Ca 0.19 -0.16 -0.11 0.00 -1.10 0.00 0.00 59.98 58.80 3a4s h ARG 8 Cb 0.16 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.75 3a4s h ARG 8 CO -0.02 0.81 -0.54 -0.07 2.80 0.00 0.00 179.97 182.95 3a4s h LEU 9 N 0.14 0.00 -0.58 3.80 3.38 0.12 -2.24 115.31 119.93 3a4s h LEU 9 Ca -0.02 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 3a4s h LEU 9 Cb 1.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 3a4s h LEU 9 CO 0.10 0.54 -0.30 0.00 0.09 0.00 0.00 178.44 178.88 3a4s h ALA 10 N 1.46 0.77 -0.27 1.53 0.00 -1.01 -2.14 119.26 119.59 3a4s h ALA 10 Ca -0.01 -0.41 -0.16 0.00 0.00 0.00 0.00 54.91 54.34 3a4s h ALA 10 Cb 1.11 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3a4s h ALA 10 CO 0.07 0.65 -0.47 1.96 0.00 0.00 0.00 179.25 181.47 3a4s h GLN 11 N 0.68 0.72 -0.39 0.00 4.20 -1.47 -2.29 115.11 116.56 3a4s h GLN 11 Ca 0.08 -0.41 0.03 0.00 0.06 0.00 0.00 58.65 58.40 3a4s h GLN 11 Cb 0.84 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.62 3a4s h GLN 11 CO 0.07 1.04 0.21 0.93 -0.67 0.00 0.00 178.83 180.41 3a4s h GLU 12 N 0.58 0.41 -0.46 1.46 4.39 -1.22 0.22 114.58 119.96 3a4s h GLU 12 Ca 0.03 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.63 3a4s h GLU 12 Cb 1.03 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.57 3a4s h GLU 12 CO 0.10 0.27 -0.02 -0.09 -1.16 0.00 0.00 179.01 178.11 3a4s h ARG 13 N 0.43 0.78 0.55 2.33 2.43 -1.35 0.02 114.38 119.55 3a4s h ARG 13 Ca 0.16 -0.22 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 3a4s h ARG 13 Cb 0.05 -0.09 0.01 0.00 -0.42 0.00 0.00 29.97 29.52 3a4s h ARG 13 CO -0.10 0.80 -0.26 -0.22 -1.51 0.00 0.00 179.97 178.68 3a4s h LYS 14 N 0.72 -0.71 0.03 0.20 3.64 -0.75 -2.00 116.57 117.71 3a4s h LYS 14 Ca 0.14 0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.58 3a4s h LYS 14 Cb 0.47 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 3a4s h LYS 14 CO 0.02 -0.46 -0.13 0.00 -2.27 0.00 0.00 179.45 176.62 3a4s h ALA 15 N -0.32 -0.17 -0.51 5.00 0.00 -0.48 -2.91 119.26 119.88 3a4s h ALA 15 Ca -0.07 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 54.93 3a4s h ALA 15 Cb 0.58 0.21 -0.10 0.00 0.00 0.00 0.00 17.79 18.48 3a4s h ALA 15 CO 0.12 -0.63 -0.24 2.35 0.00 0.00 0.00 179.25 180.85 3a4s h TRP 16 N -0.23 -0.63 -0.98 0.00 2.91 -0.96 -1.24 115.95 114.82 3a4s h TRP 16 Ca 0.03 0.06 0.25 0.00 1.13 0.00 0.00 58.89 60.36 3a4s h TRP 16 Cb 0.27 0.35 -0.07 0.00 -0.51 0.00 0.00 29.16 29.21 3a4s h TRP 16 CO -0.17 -0.32 0.66 0.00 -1.03 0.00 0.00 178.44 177.58 3a4s h ARG 17 N -0.13 0.27 -0.41 2.65 3.08 -1.15 -0.66 114.38 118.04 3a4s h ARG 17 Ca 0.23 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.26 3a4s h ARG 17 Cb 0.49 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.48 3a4s h ARG 17 CO -0.59 0.18 0.00 0.36 -1.07 0.00 0.00 179.97 178.85 3a4s n LYS 18 N -4.46 2.67 -3.14 0.04 2.85 -0.56 -4.83 118.16 110.73 3a4s n LYS 18 Ca 0.22 -2.13 0.02 0.00 -1.05 0.00 0.00 58.31 55.37 3a4s n LYS 18 Cb 0.88 -1.34 -0.01 0.00 -0.65 0.00 0.00 35.03 33.91 3a4s n LYS 18 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 3a4s s ASP 19 N -1.02 -1.36 0.01 -5.58 2.15 -0.25 -5.09 116.67 105.53 3a4s s ASP 19 Ca 0.28 -0.50 -0.27 0.00 0.43 0.00 0.00 52.55 52.49 3a4s s ASP 19 Cb 0.15 1.76 0.07 0.00 -0.30 0.00 0.00 42.92 44.59 3a4s s ASP 19 CO 0.20 -0.17 0.62 -1.38 -0.17 0.00 0.00 175.17 174.27 3a4s s HIS 20 N 2.08 -0.58 0.62 -5.34 -3.43 -1.23 -4.47 115.29 102.94 3a4s s HIS 20 Ca 0.15 0.83 -0.16 0.00 -0.80 0.00 0.00 55.06 55.08 3a4s s HIS 20 Cb -0.04 0.42 -0.02 0.00 -1.43 0.00 0.00 32.58 31.51 3a4s s HIS 20 CO -0.12 -0.66 1.11 -2.14 -2.00 0.00 0.00 174.74 170.93 3a4s s PRO 21 N -1.92 3.02 0.22 -0.38 0.02 -1.26 -4.97 135.00 129.72 3a4s s PRO 21 Ca -0.08 1.42 -0.31 0.00 0.02 0.00 0.00 61.00 62.05 3a4s s PRO 21 Cb -0.01 -1.98 -0.10 0.00 0.02 0.00 0.00 34.50 32.43 3a4s s PRO 21 CO 0.03 -1.08 1.54 0.12 -0.33 0.00 0.00 177.00 177.27 3a4s s PHE 22 N -2.21 2.99 0.00 6.54 2.19 -1.26 -2.63 117.98 123.59 3a4s s PHE 22 Ca 0.68 0.78 0.00 0.00 0.33 0.00 0.00 56.93 58.72 3a4s s PHE 22 Cb -0.21 -3.93 0.00 0.00 -1.31 0.00 0.00 43.02 37.58 3a4s s PHE 22 CO 0.37 -3.23 0.00 0.41 1.83 0.00 0.00 175.22 174.60 3a4s n GLY 23 N 2.94 3.03 3.79 13.12 0.00 -1.26 -4.94 105.19 121.87 3a4s n GLY 23 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 3a4s n GLY 23 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3a4s s PHE 24 N -2.56 2.85 -0.02 1.61 0.40 -1.08 -4.44 117.98 114.74 3a4s s PHE 24 Ca 0.00 1.56 0.00 0.00 -0.60 0.00 0.00 56.93 57.89 3a4s s PHE 24 Cb 0.00 -3.15 0.03 0.00 0.51 0.00 0.00 43.02 40.41 3a4s s PHE 24 CO 0.00 -1.19 0.02 0.08 0.70 0.00 0.00 175.22 174.83 3a4s s VAL 25 N -1.97 0.02 -0.33 -0.44 1.01 -0.68 -4.93 120.40 113.07 3a4s s VAL 25 Ca 0.69 0.17 -0.00 0.00 0.00 0.00 0.00 61.98 62.84 3a4s s VAL 25 Cb -0.19 -0.14 0.14 0.00 0.00 0.00 0.00 36.38 36.18 3a4s s VAL 25 CO 0.26 0.11 0.26 0.00 0.00 0.00 0.00 175.10 175.72 3a4s s ALA 26 N 1.04 0.18 -0.00 5.51 0.00 -1.26 -0.74 121.76 126.48 3a4s s ALA 26 Ca -0.09 -1.11 0.05 0.00 0.00 0.00 0.00 51.96 50.80 3a4s s ALA 26 Cb -0.13 -1.73 -0.01 0.00 0.00 0.00 0.00 23.12 21.25 3a4s s ALA 26 CO -0.03 -1.93 -0.16 0.54 0.00 0.00 0.00 175.76 174.19 3a4s s VAL 27 N 1.67 1.23 0.85 0.00 0.11 -0.76 -5.00 120.40 118.50 3a4s s VAL 27 Ca 0.14 -0.74 -0.11 0.00 -2.93 0.00 0.00 61.98 58.34 3a4s s VAL 27 Cb -0.17 -1.04 0.10 0.00 -1.53 0.00 0.00 36.38 33.74 3a4s s VAL 27 CO -0.16 0.29 1.09 -2.84 -3.33 0.00 0.00 175.10 170.15 3a4s s PRO 28 N -0.52 1.62 0.67 1.54 0.02 -1.26 -0.07 135.00 136.99 3a4s s PRO 28 Ca 0.05 0.96 -0.05 0.00 0.02 0.00 0.00 61.00 61.99 3a4s s PRO 28 Cb -0.06 -1.84 0.14 0.00 0.02 0.00 0.00 34.50 32.76 3a4s s PRO 28 CO -0.00 -2.03 0.92 0.25 -0.33 0.00 0.00 177.00 175.80 3a4s n THR 29 N -3.76 0.00 0.00 0.99 -2.24 0.84 -4.66 114.28 105.45 3a4s n THR 29 Ca 0.08 -1.11 0.00 0.00 -2.27 0.00 0.00 64.05 60.75 3a4s n THR 29 Cb 0.54 -1.21 0.00 0.00 -2.10 0.00 0.00 70.33 67.57 3a4s n THR 29 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3a4s n LYS 30 N -2.80 2.82 -1.74 -0.78 4.01 -1.26 -0.72 118.16 117.68 3a4s n LYS 30 Ca 0.14 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.94 3a4s n LYS 30 Cb 0.48 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.00 3a4s n LYS 30 CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 177.40 173.99 3a4s n PRO 32 N 0.00 -2.46 -4.04 1.97 -0.02 -1.26 -4.67 135.00 124.53 3a4s n PRO 32 Ca 0.00 1.75 -0.10 0.00 -2.02 0.00 0.00 63.50 63.13 3a4s n PRO 32 Cb 0.00 -2.19 -0.07 0.00 -0.02 0.00 0.00 33.50 31.22 3a4s n PRO 32 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3a4s s ASP 33 N -0.76 0.00 0.00 2.55 1.01 -1.26 -4.91 116.67 113.30 3a4s s ASP 33 Ca 0.00 -1.03 0.00 0.00 0.71 0.00 0.00 52.55 52.23 3a4s s ASP 33 Cb 0.00 0.49 0.00 0.00 1.01 0.00 0.00 42.92 44.42 3a4s s ASP 33 CO 0.00 -1.00 0.00 0.61 0.21 0.00 0.00 175.17 174.99 3a4s n GLY 34 N -0.31 1.63 3.73 0.21 0.00 -1.26 -4.93 105.19 104.26 3a4s n GLY 34 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 3a4s n GLY 34 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3a4s s THR 35 N 0.00 4.64 0.21 2.61 -1.32 -1.26 -5.02 115.64 115.49 3a4s s THR 35 Ca 0.00 1.99 -0.30 0.00 -1.21 0.00 0.00 61.69 62.17 3a4s s THR 35 Cb 0.00 -4.28 -0.08 0.00 -1.51 0.00 0.00 72.50 66.63 3a4s s THR 35 CO 0.00 0.28 1.01 -0.04 -2.21 0.00 0.00 174.62 173.67 3a4s s MET 36 N 0.26 4.72 -0.93 7.08 1.00 -1.26 -4.45 119.30 125.72 3a4s s MET 36 Ca 0.47 1.60 -0.10 0.00 0.00 0.00 0.00 55.69 57.66 3a4s s MET 36 Cb -0.22 -3.28 0.24 0.00 0.00 0.00 0.00 34.83 31.57 3a4s s MET 36 CO 0.28 0.29 0.87 1.21 0.00 0.00 0.00 175.02 177.68 3a4s s ASN 37 N -0.63 6.77 0.00 3.03 2.47 0.10 -4.91 114.94 121.79 3a4s s ASN 37 Ca 0.45 -3.16 0.05 0.00 0.42 0.00 0.00 52.86 50.61 3a4s s ASN 37 Cb -0.27 -2.15 0.26 0.00 -1.45 0.00 0.00 41.25 37.63 3a4s s ASN 37 CO 0.34 -0.40 0.95 0.18 -3.72 0.00 0.00 177.10 174.44 3a4s n LEU 38 N 3.27 0.00 -0.22 3.21 4.77 -1.26 -1.49 117.00 125.28 3a4s n LEU 38 Ca 0.18 0.23 0.11 0.00 -0.03 0.00 0.00 56.01 56.50 3a4s n LEU 38 Cb 0.42 -0.23 0.05 0.00 -2.33 0.00 0.00 43.42 41.33 3a4s n LEU 38 CO 0.39 -0.19 0.26 0.23 -1.33 0.00 0.00 177.39 176.74 3a4s n MET 39 N -1.23 0.58 -3.68 3.23 2.81 -1.26 -4.79 117.12 112.78 3a4s n MET 39 Ca 0.03 -0.45 -0.29 0.00 -1.81 0.00 0.00 57.70 55.17 3a4s n MET 39 Cb 0.03 -1.49 -0.15 0.00 -0.71 0.00 0.00 33.22 30.90 3a4s n MET 39 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 3a4s s ASN 40 N -2.73 3.81 -0.16 7.83 2.47 -0.55 -1.24 114.94 124.38 3a4s s ASN 40 Ca 0.15 -1.48 -0.06 0.00 0.42 0.00 0.00 52.86 51.88 3a4s s ASN 40 Cb 0.17 -0.71 -0.04 0.00 -1.45 0.00 0.00 41.25 39.23 3a4s s ASN 40 CO 0.68 -0.41 0.06 0.26 -3.72 0.00 0.00 177.10 173.97 3a4s s TRP 41 N 1.76 3.26 -0.23 0.43 0.52 0.37 -0.11 118.94 124.95 3a4s s TRP 41 Ca 0.09 0.12 -0.16 0.00 0.02 0.00 0.00 56.10 56.17 3a4s s TRP 41 Cb -0.17 -2.02 -0.04 0.00 -1.15 0.00 0.00 33.47 30.10 3a4s s TRP 41 CO -0.27 0.25 0.41 -1.21 0.02 0.00 0.00 176.95 176.16 3a4s s GLU 42 N 0.04 4.11 0.29 4.98 2.02 0.90 0.00 118.70 131.04 3a4s s GLU 42 Ca 0.05 0.18 0.05 0.00 0.02 0.00 0.00 54.97 55.28 3a4s s GLU 42 Cb -0.12 -3.59 -0.06 0.00 0.10 0.00 0.00 34.13 30.46 3a4s s GLU 42 CO 0.01 -0.16 -0.02 0.00 0.02 0.00 0.00 175.26 175.11 3a4s s ALA 44 N -3.13 -0.65 -0.21 0.00 0.00 0.08 -1.60 121.76 116.25 3a4s s ALA 44 Ca 0.31 1.05 0.02 0.00 0.00 0.00 0.00 51.96 53.34 3a4s s ALA 44 Cb 0.06 -0.66 0.03 0.00 0.00 0.00 0.00 23.12 22.55 3a4s s ALA 44 CO 0.13 -0.20 -0.17 0.42 0.00 0.00 0.00 175.76 175.94 3a4s s ILE 45 N 1.14 2.12 0.45 0.00 1.01 0.36 -1.69 121.20 124.59 3a4s s ILE 45 Ca -0.08 -1.18 -0.23 0.00 0.00 0.00 0.00 60.65 59.16 3a4s s ILE 45 Cb -0.09 -2.02 -0.08 0.00 0.01 0.00 0.00 42.46 40.29 3a4s s ILE 45 CO -0.08 0.34 1.14 -2.84 0.00 0.00 0.00 174.94 173.50 3a4s s PRO 46 N 1.23 3.81 0.37 2.79 0.02 -1.26 -1.04 135.00 140.92 3a4s s PRO 46 Ca 0.00 1.71 -0.27 0.00 0.02 0.00 0.00 61.00 62.46 3a4s s PRO 46 Cb -0.15 -2.40 -0.09 0.00 0.02 0.00 0.00 34.50 31.87 3a4s s PRO 46 CO -0.10 -0.49 1.21 0.20 -0.33 0.00 0.00 177.00 177.49 3a4s s GLY 47 N -1.43 2.93 0.39 0.52 0.00 -0.10 -4.93 107.32 104.71 3a4s s GLY 47 Ca 0.63 1.07 -0.27 0.00 0.00 0.00 0.00 44.72 46.15 3a4s s GLY 47 CO 0.33 1.63 1.34 1.25 0.00 0.00 0.00 173.10 177.65 3a4s s LYS 48 N -2.08 4.04 0.34 2.90 2.47 -1.26 -4.38 119.74 121.77 3a4s s LYS 48 Ca 0.54 2.26 -0.29 0.00 -1.56 0.00 0.00 55.97 56.92 3a4s s LYS 48 Cb -0.34 -2.85 -0.11 0.00 -1.46 0.00 0.00 37.83 33.08 3a4s s LYS 48 CO 0.44 -0.47 1.38 0.15 0.16 0.00 0.00 175.35 177.01 3a4s s LYS 49 N -2.14 4.26 -0.32 4.03 -0.14 -1.26 -3.18 119.74 121.00 3a4s s LYS 49 Ca 0.55 2.35 -0.01 0.00 -1.36 0.00 0.00 55.97 57.49 3a4s s LYS 49 Cb -0.40 -3.04 0.00 0.00 -1.68 0.00 0.00 37.83 32.71 3a4s s LYS 49 CO 0.53 -0.33 0.14 0.41 -0.76 0.00 0.00 175.35 175.35 3a4s n GLY 50 N 0.81 0.46 3.16 -3.33 0.00 -1.26 -5.00 105.19 100.02 3a4s n GLY 50 Ca 0.01 -0.58 -0.09 0.00 0.00 0.00 0.00 46.02 45.37 3a4s n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a4s s THR 51 N -2.72 0.14 -1.28 2.61 -4.23 -1.19 -5.00 115.64 103.97 3a4s s THR 51 Ca 0.07 -1.76 0.03 0.00 -1.18 0.00 0.00 61.69 58.86 3a4s s THR 51 Cb -0.03 -1.79 0.04 0.00 1.34 0.00 0.00 72.50 72.06 3a4s s THR 51 CO 0.09 -0.63 0.98 -2.65 -0.54 0.00 0.00 174.62 171.86 3a4s n PRO 52 N -0.04 0.03 0.02 3.99 -0.02 -1.26 -1.81 135.00 135.91 3a4s n PRO 52 Ca -0.09 0.32 0.11 0.00 -2.02 0.00 0.00 63.50 61.82 3a4s n PRO 52 Cb 0.63 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.54 3a4s n PRO 52 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 3a4s n TRP 53 N -1.36 0.20 -1.75 6.00 7.02 -1.26 -3.68 117.44 122.61 3a4s n TRP 53 Ca 0.01 0.06 -0.41 0.00 -1.02 0.00 0.00 57.50 56.14 3a4s n TRP 53 Cb 0.03 -0.44 -0.00 0.00 -2.42 0.00 0.00 31.31 28.48 3a4s n TRP 53 CO 0.00 0.00 0.00 -0.85 -2.02 0.00 0.00 177.69 174.82 3a4s n GLU 54 N -2.06 2.46 0.00 -0.99 0.28 -0.75 -2.42 120.64 117.16 3a4s n GLU 54 Ca 0.00 0.86 0.00 0.00 -0.16 0.00 0.00 57.16 57.87 3a4s n GLU 54 Cb 0.47 -2.56 0.00 0.00 1.43 0.00 0.00 31.44 30.79 3a4s n GLU 54 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3a4s n GLY 55 N 0.56 2.86 3.86 -1.84 0.00 -1.26 -4.91 105.19 104.46 3a4s n GLY 55 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 3a4s n GLY 55 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3a4s s GLY 56 N -2.53 2.34 -0.43 -0.02 0.00 -1.02 -4.36 107.32 101.30 3a4s s GLY 56 Ca 0.00 -0.41 -0.03 0.00 0.00 0.00 0.00 44.72 44.28 3a4s s GLY 56 CO 0.00 -0.14 0.22 -2.27 0.00 0.00 0.00 173.10 170.92 3a4s s LEU 57 N -1.38 5.24 -0.34 0.66 2.96 0.16 -0.92 118.68 125.07 3a4s s LEU 57 Ca 0.25 -2.11 -0.18 0.00 -0.22 0.00 0.00 54.13 51.86 3a4s s LEU 57 Cb -0.14 -1.83 -0.01 0.00 0.50 0.00 0.00 46.19 44.71 3a4s s LEU 57 CO 0.13 -0.53 0.53 -0.36 -1.32 0.00 0.00 176.35 174.81 3a4s s PHE 58 N 1.03 3.19 -0.09 5.38 0.08 -0.21 -4.82 117.98 122.53 3a4s s PHE 58 Ca 0.09 0.28 -0.14 0.00 0.12 0.00 0.00 56.93 57.29 3a4s s PHE 58 Cb -0.23 -2.93 -0.05 0.00 -0.57 0.00 0.00 43.02 39.25 3a4s s PHE 58 CO -0.04 -0.51 0.33 0.15 -0.10 0.00 0.00 175.22 175.05 3a4s s LYS 59 N 2.43 4.02 0.17 0.44 1.02 -1.26 -0.48 119.74 126.08 3a4s s LYS 59 Ca 0.20 0.21 0.02 0.00 0.02 0.00 0.00 55.97 56.43 3a4s s LYS 59 Cb -0.15 -3.32 -0.05 0.00 -0.52 0.00 0.00 37.83 33.80 3a4s s LYS 59 CO 0.13 0.48 -0.02 -0.48 -0.92 0.00 0.00 175.35 174.54 3a4s s LEU 60 N -0.31 2.20 -0.14 3.17 2.34 -0.63 -0.97 118.68 124.35 3a4s s LEU 60 Ca 0.20 -1.15 -0.03 0.00 0.06 0.00 0.00 54.13 53.22 3a4s s LEU 60 Cb -0.14 -0.11 -0.03 0.00 -0.56 0.00 0.00 46.19 45.35 3a4s s LEU 60 CO 0.08 -0.53 -0.05 -0.60 -1.06 0.00 0.00 176.35 174.19 3a4s s ARG 61 N -3.88 3.46 -0.34 1.48 3.52 0.16 -0.64 118.95 122.71 3a4s s ARG 61 Ca 0.23 -0.53 -0.06 0.00 -0.13 0.00 0.00 55.73 55.23 3a4s s ARG 61 Cb 0.06 -2.83 0.04 0.00 -1.56 0.00 0.00 34.95 30.66 3a4s s ARG 61 CO 0.03 0.33 0.11 1.41 -0.81 0.00 0.00 175.30 176.38 3a4s s MET 62 N 0.10 2.60 -0.36 5.12 -2.45 0.10 -1.76 119.30 122.66 3a4s s MET 62 Ca -0.01 -1.21 -0.08 0.00 -1.25 0.00 0.00 55.69 53.13 3a4s s MET 62 Cb -0.14 -3.48 0.04 0.00 1.25 0.00 0.00 34.83 32.50 3a4s s MET 62 CO 0.03 -0.69 0.15 -0.51 1.05 0.00 0.00 175.02 175.05 3a4s s LEU 63 N 1.40 4.51 0.14 4.11 1.43 -0.16 -0.48 118.68 129.63 3a4s s LEU 63 Ca -0.01 -1.09 -0.08 0.00 -1.03 0.00 0.00 54.13 51.91 3a4s s LEU 63 Cb -0.20 -1.94 -0.06 0.00 0.03 0.00 0.00 46.19 44.02 3a4s s LEU 63 CO 0.03 -0.36 0.44 -0.36 0.23 0.00 0.00 176.35 176.33 3a4s s PHE 64 N 1.47 3.51 0.52 0.29 0.40 -0.37 -0.53 117.98 123.25 3a4s s PHE 64 Ca -0.00 0.75 0.08 0.00 -0.60 0.00 0.00 56.93 57.16 3a4s s PHE 64 Cb -0.19 -2.14 0.05 0.00 0.51 0.00 0.00 43.02 41.24 3a4s s PHE 64 CO 0.04 0.42 0.63 0.15 0.70 0.00 0.00 175.22 177.16 3a4s s LYS 65 N -2.40 2.44 0.21 0.44 -0.14 -1.26 -4.82 119.74 114.22 3a4s s LYS 65 Ca 0.40 -1.60 0.25 0.00 -1.36 0.00 0.00 55.97 53.65 3a4s s LYS 65 Cb -0.13 -2.55 0.91 0.00 -1.68 0.00 0.00 37.83 34.38 3a4s s LYS 65 CO 0.21 -0.61 1.74 -0.40 -0.76 0.00 0.00 175.35 175.53 3a4s n ASP 66 N -1.99 0.67 0.13 2.83 5.75 -1.26 -2.55 116.55 120.13 3a4s n ASP 66 Ca 0.10 0.61 -0.00 0.00 -0.01 0.00 0.00 54.79 55.49 3a4s n ASP 66 Cb 0.61 -0.77 0.26 0.00 -1.03 0.00 0.00 41.12 40.19 3a4s n ASP 66 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 3a4s h ASP 67 N 0.00 0.12 -2.52 -1.12 1.82 -1.94 -3.41 116.42 109.37 3a4s h ASP 67 Ca 0.00 -0.05 -0.60 0.00 -0.39 0.00 0.00 57.03 55.99 3a4s h ASP 67 Cb 0.53 -0.03 0.12 0.00 0.68 0.00 0.00 39.33 40.62 3a4s h ASP 67 CO 0.00 0.54 0.04 0.00 -1.61 0.00 0.00 179.24 178.22 3a4s n TYR 68 N -4.01 0.96 1.50 0.28 9.36 -1.06 -1.96 117.16 122.23 3a4s n TYR 68 Ca -0.02 0.67 0.14 0.00 3.32 0.00 0.00 57.90 62.02 3a4s n TYR 68 Cb 0.48 -2.20 0.57 0.00 -0.63 0.00 0.00 39.34 37.56 3a4s n TYR 68 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 3a4s n PRO 69 N 0.59 1.20 -0.36 2.98 -0.02 -1.26 -3.45 135.00 134.68 3a4s n PRO 69 Ca 0.10 -0.58 0.09 0.00 -2.02 0.00 0.00 63.50 61.09 3a4s n PRO 69 Cb 0.34 -1.49 0.26 0.00 -0.02 0.00 0.00 33.50 32.59 3a4s n PRO 69 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3a4s h SER 70 N 1.41 0.87 -3.05 2.55 0.02 -1.77 -3.37 113.55 110.22 3a4s h SER 70 Ca 0.00 0.06 -0.62 0.00 -0.84 0.00 0.00 61.79 60.39 3a4s h SER 70 Cb 0.40 -0.11 -0.10 0.00 0.14 0.00 0.00 62.40 62.73 3a4s h SER 70 CO 0.00 0.42 -0.62 -0.94 -1.14 0.00 0.00 176.83 174.55 3a4s s SER 71 N -5.60 5.21 0.73 3.07 1.04 -1.21 -4.82 113.70 112.12 3a4s s SER 71 Ca -0.12 -0.17 -0.11 0.00 0.48 0.00 0.00 55.95 56.03 3a4s s SER 71 Cb 0.23 -1.29 0.03 0.00 0.10 0.00 0.00 66.02 65.09 3a4s s SER 71 CO 0.81 0.13 1.08 -2.16 0.98 0.00 0.00 173.24 174.07 3a4s s PRO 72 N -2.66 2.64 0.72 4.02 0.04 -1.26 -4.09 135.00 134.40 3a4s s PRO 72 Ca 0.28 0.73 -0.11 0.00 0.04 0.00 0.00 61.00 61.94 3a4s s PRO 72 Cb -0.11 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.48 3a4s s PRO 72 CO 0.20 -1.25 1.07 -1.25 0.04 0.00 0.00 177.00 175.81 3a4s s PRO 73 N -5.15 2.75 -0.19 0.56 0.04 -1.26 -4.72 135.00 127.01 3a4s s PRO 73 Ca 0.59 0.94 -0.08 0.00 0.04 0.00 0.00 61.00 62.49 3a4s s PRO 73 Cb -0.13 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 3a4s s PRO 73 CO 0.54 -1.23 0.09 0.21 0.04 0.00 0.00 177.00 176.65 3a4s s LYS 74 N -5.04 4.03 -0.18 4.56 2.20 0.30 -4.89 119.74 120.73 3a4s s LYS 74 Ca 0.59 -0.31 -0.01 0.00 -0.36 0.00 0.00 55.97 55.88 3a4s s LYS 74 Cb -0.14 -3.30 -0.00 0.00 -1.51 0.00 0.00 37.83 32.87 3a4s s LYS 74 CO 0.55 0.25 -0.13 0.00 -0.36 0.00 0.00 175.35 175.66 3a4s s LYS 76 N 1.03 2.21 -0.04 0.00 1.02 -0.72 0.87 119.74 124.10 3a4s s LYS 76 Ca -0.01 -0.68 -0.30 0.00 0.02 0.00 0.00 55.97 55.00 3a4s s LYS 76 Cb -0.15 -1.81 -0.02 0.00 -0.52 0.00 0.00 37.83 35.33 3a4s s LYS 76 CO -0.03 0.20 1.01 -0.06 -0.92 0.00 0.00 175.35 175.55 3a4s s PHE 77 N 0.23 3.57 -0.23 3.18 0.08 0.57 0.40 117.98 125.78 3a4s s PHE 77 Ca -0.10 1.61 0.00 0.00 0.12 0.00 0.00 56.93 58.56 3a4s s PHE 77 Cb -0.15 -3.18 0.06 0.00 -0.57 0.00 0.00 43.02 39.19 3a4s s PHE 77 CO 0.05 -0.22 -0.05 -1.21 -0.10 0.00 0.00 175.22 173.69 3a4s s GLU 78 N 1.48 1.54 0.93 0.44 2.02 -0.14 -1.72 118.70 123.24 3a4s s GLU 78 Ca 0.51 -0.91 -0.12 0.00 0.02 0.00 0.00 54.97 54.47 3a4s s GLU 78 Cb -0.20 -2.52 0.15 0.00 0.10 0.00 0.00 34.13 31.66 3a4s s GLU 78 CO 0.24 -0.59 1.10 -2.14 0.02 0.00 0.00 175.26 173.89 3a4s s PRO 79 N 1.45 0.99 0.79 0.39 0.02 -1.26 -4.50 135.00 132.88 3a4s s PRO 79 Ca -0.05 0.54 -0.14 0.00 0.02 0.00 0.00 61.00 61.36 3a4s s PRO 79 Cb -0.18 -1.80 0.04 0.00 0.02 0.00 0.00 34.50 32.57 3a4s s PRO 79 CO -0.06 -2.35 0.93 -2.30 -0.33 0.00 0.00 177.00 172.88 3a4s n PRO 80 N -3.92 0.21 -4.29 5.54 -0.02 -0.70 -4.92 135.00 126.90 3a4s n PRO 80 Ca 0.06 0.13 -0.30 0.00 -2.02 0.00 0.00 63.50 61.37 3a4s n PRO 80 Cb 0.57 -2.21 -0.10 0.00 -0.02 0.00 0.00 33.50 31.74 3a4s n PRO 80 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3a4s s LEU 81 N -3.54 3.03 -0.58 2.45 1.43 -1.26 -5.02 118.68 115.18 3a4s s LEU 81 Ca 0.70 -0.35 -0.27 0.00 -1.03 0.00 0.00 54.13 53.17 3a4s s LEU 81 Cb -0.30 -1.81 0.01 0.00 0.03 0.00 0.00 46.19 44.11 3a4s s LEU 81 CO 0.54 0.20 1.53 0.12 0.23 0.00 0.00 176.35 178.97 3a4s s PHE 82 N -1.16 2.10 -0.28 0.29 2.19 -1.26 -4.86 117.98 115.00 3a4s s PHE 82 Ca 0.20 0.48 -0.23 0.00 0.33 0.00 0.00 56.93 57.72 3a4s s PHE 82 Cb -0.11 -4.34 0.13 0.00 -1.31 0.00 0.00 43.02 37.39 3a4s s PHE 82 CO 0.12 -2.14 1.03 -1.58 1.83 0.00 0.00 175.22 174.48 3a4s s HIS 83 N 6.79 -0.49 0.57 10.12 2.46 -1.26 -4.98 115.29 128.51 3a4s s HIS 83 Ca 0.55 1.13 0.27 0.00 0.47 0.00 0.00 55.06 57.48 3a4s s HIS 83 Cb -0.12 0.37 1.67 0.00 -0.13 0.00 0.00 32.58 34.37 3a4s s HIS 83 CO 0.23 -0.24 2.20 -1.35 -2.47 0.00 0.00 174.74 173.11 3a4s h PRO 84 N 4.64 0.00 -0.58 2.88 0.11 -1.85 -2.59 132.00 134.60 3a4s h PRO 84 Ca -0.28 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.55 3a4s h PRO 84 Cb 1.18 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.13 3a4s h PRO 84 CO 0.13 0.00 0.19 0.09 -0.21 0.00 0.00 178.00 178.20 3a4s n ASN 85 N -4.00 3.17 -3.84 -2.05 5.03 -1.26 -0.21 115.26 112.10 3a4s n ASN 85 Ca -0.02 -3.63 -0.27 0.00 0.87 0.00 0.00 54.58 51.53 3a4s n ASN 85 Cb 0.15 -0.70 -0.17 0.00 -1.02 0.00 0.00 39.78 38.04 3a4s n ASN 85 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3a4s s VAL 86 N -3.22 0.89 0.69 2.41 1.01 -0.98 -0.57 120.40 120.65 3a4s s VAL 86 Ca 0.49 -0.50 -0.17 0.00 0.00 0.00 0.00 61.98 61.80 3a4s s VAL 86 Cb 0.43 -1.13 -0.05 0.00 0.00 0.00 0.00 36.38 35.63 3a4s s VAL 86 CO 0.05 0.09 0.54 -1.22 0.00 0.00 0.00 175.10 174.56 3a4s n TYR 87 N 4.95 -0.74 0.32 5.22 4.01 -0.58 -4.07 117.16 126.26 3a4s n TYR 87 Ca -0.11 0.37 0.16 0.00 -0.16 0.00 0.00 57.90 58.16 3a4s n TYR 87 Cb 0.48 -1.93 0.87 0.00 -0.31 0.00 0.00 39.34 38.45 3a4s n TYR 87 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3a4s h PRO 88 N -0.24 0.00 0.00 -0.72 0.11 -1.91 0.23 132.00 129.47 3a4s h PRO 88 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3a4s h PRO 88 Cb 1.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.47 3a4s h PRO 88 CO 0.43 0.00 -0.04 -1.13 -0.21 0.00 0.00 178.00 177.05 3a4s n SER 89 N -2.85 0.68 0.00 -2.05 3.41 -1.26 -4.82 113.62 106.73 3a4s n SER 89 Ca -0.02 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.12 3a4s n SER 89 Cb 0.30 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 3a4s n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3a4s n GLY 90 N 1.34 1.22 3.68 5.00 0.00 0.81 -4.76 105.19 112.49 3a4s n GLY 90 Ca 0.06 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.63 3a4s n GLY 90 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3a4s n THR 91 N -1.56 0.06 -2.99 2.61 -1.04 -1.26 -0.32 114.28 109.79 3a4s n THR 91 Ca 0.00 -0.01 -0.40 0.00 -2.04 0.00 0.00 64.05 61.60 3a4s n THR 91 Cb 0.00 -1.70 -0.04 0.00 -1.82 0.00 0.00 70.33 66.77 3a4s n THR 91 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3a4s s VAL 92 N 1.29 5.00 -0.55 12.58 1.01 0.25 -1.53 120.40 138.45 3a4s s VAL 92 Ca 0.79 1.52 -0.16 0.00 0.00 0.00 0.00 61.98 64.12 3a4s s VAL 92 Cb -0.63 -4.08 0.13 0.00 0.00 0.00 0.00 36.38 31.80 3a4s s VAL 92 CO 0.37 0.20 0.53 0.00 0.00 0.00 0.00 175.10 176.20 3a4s s LEU 94 N 1.75 1.57 0.37 0.00 2.96 -1.26 -4.89 118.68 119.18 3a4s s LEU 94 Ca 0.04 -0.19 0.13 0.00 -0.22 0.00 0.00 54.13 53.89 3a4s s LEU 94 Cb -0.29 -0.58 0.95 0.00 0.50 0.00 0.00 46.19 46.76 3a4s s LEU 94 CO 0.03 0.01 1.81 -1.28 -1.32 0.00 0.00 176.35 175.61 3a4s h SER 95 N 6.86 0.57 0.86 3.68 0.87 -1.96 0.21 113.55 124.63 3a4s h SER 95 Ca -0.35 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 3a4s h SER 95 Cb 1.17 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 3a4s h SER 95 CO 0.48 0.20 0.00 2.30 -0.53 0.00 0.00 176.83 179.28 3a4s n ILE 96 N -4.62 0.74 -0.77 2.23 -5.35 -1.26 -2.12 119.36 108.21 3a4s n ILE 96 Ca 0.22 0.11 0.02 0.00 -0.27 0.00 0.00 62.75 62.82 3a4s n ILE 96 Cb 0.67 -0.95 0.34 0.00 -1.74 0.00 0.00 39.64 37.96 3a4s n ILE 96 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3a4s n LEU 97 N -2.03 5.51 -4.01 7.28 4.32 0.73 -3.50 117.00 125.30 3a4s n LEU 97 Ca 0.04 -2.82 -0.30 0.00 -0.02 0.00 0.00 56.01 52.90 3a4s n LEU 97 Cb 0.27 -0.69 -0.16 0.00 -1.62 0.00 0.00 43.42 41.21 3a4s n LEU 97 CO 0.21 0.66 -0.48 -1.61 -1.22 0.00 0.00 177.39 174.96 3a4s s GLU 98 N -2.67 2.19 0.10 3.23 2.02 -1.08 -4.79 118.70 117.69 3a4s s GLU 98 Ca 0.50 -0.67 -0.23 0.00 0.02 0.00 0.00 54.97 54.60 3a4s s GLU 98 Cb 0.39 -2.22 -0.07 0.00 0.10 0.00 0.00 34.13 32.33 3a4s s GLU 98 CO 0.14 -0.31 1.38 0.93 0.02 0.00 0.00 175.26 177.42 3a4s h GLU 99 N 8.02 -0.17 -1.18 1.61 5.08 -1.89 -1.66 114.58 124.40 3a4s h GLU 99 Ca -0.34 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 3a4s h GLU 99 Cb 1.12 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3a4s h GLU 99 CO 0.51 -0.11 0.00 -0.25 -1.00 0.00 0.00 179.01 178.15 3a4s n ASP 100 N -4.59 3.12 0.00 1.42 8.00 -1.26 -4.40 116.55 118.84 3a4s n ASP 100 Ca -0.01 -1.95 0.00 0.00 0.71 0.00 0.00 54.79 53.54 3a4s n ASP 100 Cb 0.22 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.77 3a4s n ASP 100 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3a4s n LYS 101 N 0.66 0.00 0.00 -1.24 4.81 -0.66 -5.03 118.16 116.70 3a4s n LYS 101 Ca 0.00 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.57 3a4s n LYS 101 Cb 0.47 0.00 0.40 0.00 0.02 0.00 0.00 35.03 35.92 3a4s n LYS 101 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3a4s n ASP 102 N 0.00 1.75 -4.77 3.14 8.00 -0.90 -4.93 116.55 118.84 3a4s n ASP 102 Ca 0.00 -1.51 -0.40 0.00 0.71 0.00 0.00 54.79 53.59 3a4s n ASP 102 Cb 0.00 0.04 -0.01 0.00 -0.02 0.00 0.00 41.12 41.13 3a4s n ASP 102 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 3a4s s TRP 103 N -2.09 2.79 -0.01 1.24 -0.11 -0.97 -4.60 118.94 115.19 3a4s s TRP 103 Ca 0.33 1.34 0.01 0.00 1.22 0.00 0.00 56.10 59.00 3a4s s TRP 103 Cb 0.20 -3.78 0.01 0.00 -1.50 0.00 0.00 33.47 28.40 3a4s s TRP 103 CO 0.37 -2.32 -0.03 1.03 -4.62 0.00 0.00 176.95 171.37 3a4s s ARG 104 N -2.11 0.37 0.40 5.86 1.81 -1.26 -4.92 118.95 119.11 3a4s s ARG 104 Ca 0.54 -0.09 0.19 0.00 -1.72 0.00 0.00 55.73 54.65 3a4s s ARG 104 Cb -0.41 -0.41 1.12 0.00 -0.45 0.00 0.00 34.95 34.80 3a4s s ARG 104 CO 0.54 0.02 1.76 -1.35 -0.68 0.00 0.00 175.30 175.59 3a4s h PRO 105 N 6.45 0.37 -0.02 3.54 0.11 -1.88 -1.07 132.00 139.50 3a4s h PRO 105 Ca -0.32 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.70 3a4s h PRO 105 Cb 1.18 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3a4s h PRO 105 CO 0.49 0.24 -0.32 0.00 -0.21 0.00 0.00 178.00 178.21 3a4s h ALA 106 N 1.62 1.44 -1.44 -0.75 0.00 -1.96 -3.46 119.26 114.71 3a4s h ALA 106 Ca 0.61 -0.30 -0.74 0.00 0.00 0.00 0.00 54.91 54.48 3a4s h ALA 106 Cb 1.56 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 19.33 3a4s h ALA 106 CO -0.31 0.42 0.60 -0.89 0.00 0.00 0.00 179.25 179.07 3a4s n ILE 107 N -4.15 0.12 -2.42 0.00 5.41 -0.41 -4.95 119.36 112.97 3a4s n ILE 107 Ca -0.02 -0.02 -0.27 0.00 1.00 0.00 0.00 62.75 63.44 3a4s n ILE 107 Cb 0.37 -0.82 0.03 0.00 -0.71 0.00 0.00 39.64 38.51 3a4s n ILE 107 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 3a4s s THR 108 N 1.92 3.88 0.26 1.39 2.01 -1.26 -4.95 115.64 118.89 3a4s s THR 108 Ca 0.93 0.06 -0.04 0.00 0.31 0.00 0.00 61.69 62.95 3a4s s THR 108 Cb -1.12 -3.53 0.19 0.00 0.01 0.00 0.00 72.50 68.06 3a4s s THR 108 CO 0.60 -0.55 1.86 0.40 -0.69 0.00 0.00 174.62 176.24 3a4s h ILE 109 N -0.12 1.24 0.10 1.82 2.04 -1.92 -2.00 117.51 118.67 3a4s h ILE 109 Ca -0.46 -0.67 0.02 0.00 1.00 0.00 0.00 64.86 64.75 3a4s h ILE 109 Cb 1.25 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.57 3a4s h ILE 109 CO 0.61 0.28 -0.37 0.50 0.00 0.00 0.00 178.15 179.17 3a4s h LYS 110 N 1.06 -0.57 -0.78 2.37 3.64 -1.93 -0.31 116.57 120.04 3a4s h LYS 110 Ca 0.26 0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.77 3a4s h LYS 110 Cb 0.12 0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.01 3a4s h LYS 110 CO -0.03 -0.38 0.51 1.96 -2.27 0.00 0.00 179.45 179.24 3a4s h GLN 111 N -0.59 0.67 0.20 1.90 4.20 -1.87 -0.20 115.11 119.43 3a4s h GLN 111 Ca 0.03 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 3a4s h GLN 111 Cb 0.63 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.26 3a4s h GLN 111 CO -0.23 0.45 -0.10 0.82 -0.67 0.00 0.00 178.83 179.10 3a4s h ILE 112 N 0.70 0.87 -0.13 2.54 2.04 -0.72 0.18 117.51 122.99 3a4s h ILE 112 Ca 0.36 -0.40 -0.05 0.00 1.00 0.00 0.00 64.86 65.77 3a4s h ILE 112 Cb 0.47 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 3a4s h ILE 112 CO -0.14 0.09 -0.13 -0.07 0.00 0.00 0.00 178.15 177.90 3a4s h LEU 113 N -0.47 0.19 0.02 1.44 4.07 -0.40 -0.58 115.31 119.58 3a4s h LEU 113 Ca -0.03 -0.04 -0.20 0.00 0.08 0.00 0.00 57.88 57.70 3a4s h LEU 113 Cb 0.36 -0.05 0.02 0.00 1.08 0.00 0.00 40.66 42.07 3a4s h LEU 113 CO 0.05 0.35 -0.79 -0.07 -1.08 0.00 0.00 178.44 176.89 3a4s h LEU 114 N 0.19 0.66 -0.67 1.67 3.38 -1.02 -2.41 115.31 117.11 3a4s h LEU 114 Ca 0.04 -0.77 0.10 0.00 0.09 0.00 0.00 57.88 57.34 3a4s h LEU 114 Cb 0.36 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.83 3a4s h LEU 114 CO 0.02 1.35 0.30 1.23 0.09 0.00 0.00 178.44 181.43 3a4s h GLY 115 N 0.05 0.99 1.43 0.83 0.00 -0.28 -0.73 103.07 105.35 3a4s h GLY 115 Ca -0.10 -0.17 -0.09 0.00 0.00 0.00 0.00 47.33 46.96 3a4s h GLY 115 CO 0.15 0.01 -0.16 -2.22 0.00 0.00 0.00 176.54 174.33 3a4s h ILE 116 N 0.50 1.26 -0.46 2.60 2.04 -1.16 -2.17 117.51 120.12 3a4s h ILE 116 Ca 0.34 -1.19 -0.08 0.00 1.00 0.00 0.00 64.86 64.93 3a4s h ILE 116 Cb 0.40 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 3a4s h ILE 116 CO -0.30 0.40 -0.04 -0.61 0.00 0.00 0.00 178.15 177.60 3a4s h GLN 117 N 0.61 0.77 -0.45 2.37 4.15 -0.68 -1.49 115.11 120.39 3a4s h GLN 117 Ca 0.10 -0.22 -0.13 0.00 0.77 0.00 0.00 58.65 59.17 3a4s h GLN 117 Cb 0.61 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.20 3a4s h GLN 117 CO 0.04 0.81 -0.24 0.93 -1.93 0.00 0.00 178.83 178.43 3a4s h GLU 118 N 0.72 0.93 -0.64 1.69 4.39 -1.05 -2.98 114.58 117.64 3a4s h GLU 118 Ca 0.13 -0.41 0.04 0.00 0.34 0.00 0.00 59.36 59.47 3a4s h GLU 118 Cb 0.49 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.08 3a4s h GLU 118 CO 0.02 1.07 0.42 1.25 -1.16 0.00 0.00 179.01 180.62 3a4s h LEU 119 N 0.80 0.63 -0.37 1.33 5.85 -0.76 -1.18 115.31 121.62 3a4s h LEU 119 Ca 0.10 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.89 3a4s h LEU 119 Cb 0.81 -0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.62 3a4s h LEU 119 CO 0.07 0.43 -0.13 -0.07 -0.34 0.00 0.00 178.44 178.40 3a4s h LEU 120 N 0.73 -0.45 -0.30 2.25 3.38 -1.13 -2.68 115.31 117.11 3a4s h LEU 120 Ca 0.26 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.35 3a4s h LEU 120 Cb 0.12 0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3a4s h LEU 120 CO -0.07 -0.16 -0.66 -3.20 0.09 0.00 0.00 178.44 174.43 3a4s n ASN 121 N -5.32 1.14 -3.48 -0.43 4.05 -1.08 -4.60 115.26 105.54 3a4s n ASN 121 Ca 0.02 -0.94 -0.27 0.00 0.45 0.00 0.00 54.58 53.84 3a4s n ASN 121 Cb 0.23 0.59 -0.10 0.00 1.23 0.00 0.00 39.78 41.74 3a4s n ASN 121 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 3a4s n GLU 122 N -1.03 0.75 -1.52 1.20 1.02 -0.47 -5.12 120.64 115.47 3a4s n GLU 122 Ca 0.07 -3.56 -0.35 0.00 -0.02 0.00 0.00 57.16 53.30 3a4s n GLU 122 Cb 0.37 -1.78 0.08 0.00 -0.02 0.00 0.00 31.44 30.09 3a4s n GLU 122 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 3a4s s PRO 123 N -0.59 2.27 -0.96 3.49 0.02 -1.19 -4.49 135.00 133.55 3a4s s PRO 123 Ca 0.32 1.79 -0.12 0.00 0.02 0.00 0.00 61.00 63.01 3a4s s PRO 123 Cb 0.04 -1.85 0.25 0.00 0.02 0.00 0.00 34.50 32.96 3a4s s PRO 123 CO -0.17 -1.74 0.93 1.21 -0.33 0.00 0.00 177.00 176.89 3a4s s ASN 124 N -1.93 7.02 0.55 2.53 3.84 -1.26 -4.90 114.94 120.78 3a4s s ASN 124 Ca 0.75 -3.10 0.34 0.00 0.21 0.00 0.00 52.86 51.07 3a4s s ASN 124 Cb -0.30 -2.21 1.51 0.00 -0.55 0.00 0.00 41.25 39.70 3a4s s ASN 124 CO 0.43 -0.45 1.83 0.40 -2.79 0.00 0.00 177.10 176.52 3a4s h ILE 125 N 4.29 0.44 -0.44 -5.21 2.04 -1.97 -2.46 117.51 114.20 3a4s h ILE 125 Ca 0.14 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.08 3a4s h ILE 125 Cb 0.97 0.46 -0.07 0.00 -0.74 0.00 0.00 36.82 37.44 3a4s h ILE 125 CO 0.87 0.00 0.00 -0.61 0.00 0.00 0.00 178.15 178.42 3a4s h GLN 126 N 0.00 0.11 -2.94 2.37 5.75 -2.02 -3.35 115.11 115.03 3a4s h GLN 126 Ca 0.48 -0.01 -0.61 0.00 -0.15 0.00 0.00 58.65 58.37 3a4s h GLN 126 Cb 2.00 -0.03 -0.40 0.00 1.07 0.00 0.00 27.48 30.13 3a4s h GLN 126 CO -0.01 0.07 -0.75 -0.51 -2.65 0.00 0.00 178.83 174.99 3a4s s ASP 127 N -5.26 3.55 0.40 -0.69 1.01 -0.92 -5.12 116.67 109.64 3a4s s ASP 127 Ca -0.13 -2.68 -0.17 0.00 0.71 0.00 0.00 52.55 50.27 3a4s s ASP 127 Cb 0.15 -1.00 -0.09 0.00 1.01 0.00 0.00 42.92 42.99 3a4s s ASP 127 CO 0.72 -0.26 0.86 -2.84 0.21 0.00 0.00 175.17 173.86 3a4s s PRO 128 N 0.29 4.06 -0.06 8.23 0.02 -1.26 -4.81 135.00 141.47 3a4s s PRO 128 Ca 0.19 0.87 0.05 0.00 0.02 0.00 0.00 61.00 62.13 3a4s s PRO 128 Cb -0.22 -2.28 -0.07 0.00 0.02 0.00 0.00 34.50 31.95 3a4s s PRO 128 CO -0.02 0.00 0.01 0.00 -0.33 0.00 0.00 177.00 176.66 3a4s n ALA 129 N -0.75 1.84 -2.83 -1.55 0.00 0.71 -4.99 120.51 112.94 3a4s n ALA 129 Ca 0.05 -0.41 -0.36 0.00 0.00 0.00 0.00 53.44 52.73 3a4s n ALA 129 Cb 0.54 0.15 -0.11 0.00 0.00 0.00 0.00 19.45 20.03 3a4s n ALA 129 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3a4s s GLN 130 N -2.15 3.89 -0.01 0.00 0.74 -1.04 -4.67 119.66 116.42 3a4s s GLN 130 Ca -0.04 -0.37 -0.23 0.00 0.05 0.00 0.00 55.36 54.77 3a4s s GLN 130 Cb 0.02 -3.35 -0.20 0.00 1.10 0.00 0.00 33.01 30.58 3a4s s GLN 130 CO 0.25 0.05 1.17 0.00 -0.55 0.00 0.00 175.29 176.21 3a4s h ALA 131 N 7.47 0.10 0.43 1.58 0.00 -1.93 -2.84 119.26 124.06 3a4s h ALA 131 Ca -0.37 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.12 3a4s h ALA 131 Cb 1.17 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3a4s h ALA 131 CO 0.64 0.09 -0.32 0.93 0.00 0.00 0.00 179.25 180.59 3a4s h GLU 132 N -0.28 -0.69 -0.64 0.00 4.39 -1.98 -2.07 114.58 113.31 3a4s h GLU 132 Ca -0.01 0.05 0.12 0.00 0.34 0.00 0.00 59.36 59.86 3a4s h GLU 132 Cb 0.87 0.16 -0.09 0.00 -0.10 0.00 0.00 28.75 29.59 3a4s h GLU 132 CO 0.05 -0.46 0.15 0.00 -1.16 0.00 0.00 179.01 177.58 3a4s h ALA 133 N -1.34 0.78 -0.16 3.43 0.00 -1.89 -1.19 119.26 118.90 3a4s h ALA 133 Ca -0.06 0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3a4s h ALA 133 Cb 0.60 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 3a4s h ALA 133 CO 0.02 -0.30 -0.06 -0.92 0.00 0.00 0.00 179.25 177.98 3a4s h TYR 134 N 0.28 -0.15 0.50 0.00 3.20 -1.50 -1.11 116.97 118.19 3a4s h TYR 134 Ca 0.34 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.21 3a4s h TYR 134 Cb 0.53 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 3a4s h TYR 134 CO -0.25 -0.10 -0.39 1.15 -1.64 0.00 0.00 178.16 176.93 3a4s h THR 135 N -0.04 0.00 -0.61 1.81 2.02 -0.50 -1.35 112.91 114.25 3a4s h THR 135 Ca 0.08 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.39 3a4s h THR 135 Cb 0.17 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.54 3a4s h THR 135 CO -0.19 0.00 0.41 0.40 0.37 0.00 0.00 175.52 176.52 3a4s h ILE 136 N -0.86 0.82 -0.53 3.11 2.04 -1.36 -0.55 117.51 120.17 3a4s h ILE 136 Ca -0.07 -0.09 -0.12 0.00 1.00 0.00 0.00 64.86 65.58 3a4s h ILE 136 Cb 0.72 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 3a4s h ILE 136 CO 0.01 0.05 -0.13 0.22 0.00 0.00 0.00 178.15 178.30 3a4s h TYR 137 N 0.27 1.14 0.00 1.37 3.20 -0.81 -1.05 116.97 121.10 3a4s h TYR 137 Ca 0.29 -0.25 0.00 0.00 3.14 0.00 0.00 58.73 61.91 3a4s h TYR 137 Cb 0.76 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.75 3a4s h TYR 137 CO -0.00 1.07 0.00 0.00 -1.64 0.00 0.00 178.16 177.59 3a4s n GLN 139 N -2.80 0.00 -3.55 0.00 6.02 -0.93 -4.93 117.38 111.19 3a4s n GLN 139 Ca 0.04 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.76 3a4s n GLN 139 Cb 0.45 -0.50 -0.09 0.00 1.02 0.00 0.00 30.24 31.12 3a4s n GLN 139 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 3a4s n ASN 140 N -3.08 3.46 -0.24 1.08 2.85 -0.40 -4.94 115.26 113.99 3a4s n ASN 140 Ca 0.00 -3.36 0.01 0.00 -0.11 0.00 0.00 54.58 51.12 3a4s n ASN 140 Cb 0.42 -0.69 0.13 0.00 1.24 0.00 0.00 39.78 40.88 3a4s n ASN 140 CO 0.00 0.00 0.00 -0.09 -2.11 0.00 0.00 177.26 175.06 3a4s h ARG 141 N 4.51 0.53 -0.36 1.20 9.65 -1.75 0.81 114.38 128.96 3a4s h ARG 141 Ca 0.18 -0.03 0.05 0.00 -1.10 0.00 0.00 59.98 59.08 3a4s h ARG 141 Cb 0.69 -0.12 -0.05 0.00 -1.39 0.00 0.00 29.97 29.11 3a4s h ARG 141 CO 0.79 0.35 0.09 0.28 2.80 0.00 0.00 179.97 184.28 3a4s h VAL 142 N 0.54 0.84 -0.28 0.20 2.07 -1.92 0.15 116.25 117.85 3a4s h VAL 142 Ca 0.35 -0.07 -0.11 0.00 0.82 0.00 0.00 66.70 67.68 3a4s h VAL 142 Cb 0.39 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 3a4s h VAL 142 CO -0.29 0.04 -0.29 -0.08 0.02 0.00 0.00 177.57 176.97 3a4s h GLU 143 N 0.22 0.57 0.29 1.57 4.22 -1.76 -1.57 114.58 118.12 3a4s h GLU 143 Ca 0.17 -0.24 0.00 0.00 0.08 0.00 0.00 59.36 59.37 3a4s h GLU 143 Cb 0.18 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3a4s h GLU 143 CO -0.21 0.80 -0.32 -0.92 -2.18 0.00 0.00 179.01 176.18 3a4s h TYR 144 N 0.49 -0.87 0.00 0.92 3.20 0.30 -1.51 116.97 119.50 3a4s h TYR 144 Ca 0.06 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.89 3a4s h TYR 144 Cb 0.75 0.34 -0.01 0.00 1.54 0.00 0.00 36.73 39.36 3a4s h TYR 144 CO 0.03 -0.46 -0.23 0.93 -1.64 0.00 0.00 178.16 176.80 3a4s h GLU 145 N -0.66 0.00 -0.31 1.82 5.08 -0.65 -0.18 114.58 119.69 3a4s h GLU 145 Ca -0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3a4s h GLU 145 Cb 0.61 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 3a4s h GLU 145 CO -0.08 0.23 0.08 -0.22 -1.00 0.00 0.00 179.01 178.02 3a4s h LYS 146 N 0.00 0.44 0.00 2.33 3.64 -0.77 -0.53 116.57 121.68 3a4s h LYS 146 Ca -0.00 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 3a4s h LYS 146 Cb 0.42 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3a4s h LYS 146 CO 0.03 0.40 -0.24 0.00 -2.27 0.00 0.00 179.45 177.37 3a4s h ARG 147 N 0.44 0.00 0.18 1.90 3.08 -0.04 -2.89 114.38 117.05 3a4s h ARG 147 Ca 0.11 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.85 3a4s h ARG 147 Cb 0.16 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.24 3a4s h ARG 147 CO -0.01 0.10 -1.30 0.28 -1.07 0.00 0.00 179.97 177.97 3a4s h VAL 148 N 0.00 1.30 -0.40 2.04 2.07 -0.58 -2.91 116.25 117.78 3a4s h VAL 148 Ca -0.01 -2.56 -0.09 0.00 0.82 0.00 0.00 66.70 64.86 3a4s h VAL 148 Cb 1.08 2.89 -0.01 0.00 -1.52 0.00 0.00 31.29 33.74 3a4s h VAL 148 CO 0.01 0.77 -0.10 0.03 0.02 0.00 0.00 177.57 178.30 3a4s h ARG 149 N 0.15 0.78 -0.76 1.57 3.08 -1.20 0.36 114.38 118.36 3a4s h ARG 149 Ca -0.21 -0.30 0.07 0.00 0.07 0.00 0.00 59.98 59.61 3a4s h ARG 149 Cb 1.99 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 31.95 3a4s h ARG 149 CO 0.25 0.91 0.50 0.00 -1.07 0.00 0.00 179.97 180.56 3a4s h ALA 150 N 0.84 1.69 -0.10 0.04 0.00 -1.61 -1.46 119.26 118.67 3a4s h ALA 150 Ca 0.10 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.77 3a4s h ALA 150 Cb 0.62 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.22 3a4s h ALA 150 CO 0.04 0.18 -0.84 0.37 0.00 0.00 0.00 179.25 179.00 3a4s h GLN 151 N 0.78 0.69 -0.50 0.00 4.15 -1.28 -2.54 115.11 116.41 3a4s h GLN 151 Ca 0.33 -0.61 0.02 0.00 0.77 0.00 0.00 58.65 59.16 3a4s h GLN 151 Cb 0.30 0.14 -0.03 0.00 0.21 0.00 0.00 27.48 28.10 3a4s h GLN 151 CO -0.12 1.22 0.33 0.00 -1.93 0.00 0.00 178.83 178.33 3a4s h ALA 152 N 0.60 1.69 -0.08 3.38 0.00 -0.07 -1.89 119.26 122.89 3a4s h ALA 152 Ca -0.07 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.58 3a4s h ALA 152 Cb 1.47 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 19.08 3a4s h ALA 152 CO 0.16 0.28 -0.86 -0.22 0.00 0.00 0.00 179.25 178.61 3a4s h LYS 153 N 0.64 0.72 -0.09 0.00 3.64 -1.27 -2.69 116.57 117.52 3a4s h LYS 153 Ca 0.19 -0.67 0.02 0.00 -1.27 0.00 0.00 60.65 58.93 3a4s h LYS 153 Cb -0.01 0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 3a4s h LYS 153 CO -0.05 1.26 0.07 -0.22 -2.27 0.00 0.00 179.45 178.25 3a4s h LYS 154 N 0.41 0.00 -0.36 1.90 3.64 -0.93 -1.91 116.57 119.32 3a4s h LYS 154 Ca -0.09 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.13 3a4s h LYS 154 Cb 1.50 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 33.22 3a4s h LYS 154 CO 0.17 0.00 -0.04 1.19 -2.27 0.00 0.00 179.45 178.50 3a4s n PHE 155 N -4.36 1.13 -2.94 1.91 3.72 -0.78 -4.97 117.46 111.17 3a4s n PHE 155 Ca -0.01 -1.51 -0.40 0.00 -0.05 0.00 0.00 57.45 55.48 3a4s n PHE 155 Cb 0.18 -0.48 -0.04 0.00 -0.94 0.00 0.00 39.48 38.19 3a4s n PHE 155 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3a4s s ALA 156 N -3.19 3.30 0.82 4.37 0.00 -0.72 0.37 121.76 126.71 3a4s s ALA 156 Ca 0.45 0.29 -0.15 0.00 0.00 0.00 0.00 51.96 52.55 3a4s s ALA 156 Cb 0.40 -3.07 -0.01 0.00 0.00 0.00 0.00 23.12 20.44 3a4s s ALA 156 CO 0.01 -0.08 0.44 -2.30 0.00 0.00 0.00 175.76 173.83 3a4s n PRO 157 N 3.50 0.05 -0.84 0.00 -0.02 -1.26 -4.94 135.00 131.50 3a4s n PRO 157 Ca 0.00 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 3a4s n PRO 157 Cb 0.51 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 3a4s n PRO 157 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93