#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a3s n SER 2 N 0.00 -2.94 0.00 7.83 3.41 -1.21 -3.33 113.62 117.38 1a3s n SER 2 Ca 0.00 -0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.26 1a3s n SER 2 Cb 0.00 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.20 1a3s n SER 2 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a3s n GLY 3 N 2.48 2.00 0.17 5.00 0.00 -1.26 -4.20 105.19 109.39 1a3s n GLY 3 Ca 0.05 -0.25 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 1a3s n GLY 3 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1a3s h ILE 4 N 0.00 1.20 0.31 -0.61 5.03 -1.90 -0.33 117.51 121.21 1a3s h ILE 4 Ca 0.00 -0.66 -0.00 0.00 -0.12 0.00 0.00 64.86 64.08 1a3s h ILE 4 Cb 0.00 1.00 -0.03 0.00 -3.03 0.00 0.00 36.82 34.77 1a3s h ILE 4 CO 0.00 0.23 -0.44 0.00 -0.68 0.00 0.00 178.15 177.25 1a3s h ALA 5 N 0.95 -1.04 -0.91 1.87 0.00 -1.64 -2.48 119.26 116.01 1a3s h ALA 5 Ca 0.11 -0.14 0.15 0.00 0.00 0.00 0.00 54.91 55.03 1a3s h ALA 5 Cb 0.24 0.73 -0.07 0.00 0.00 0.00 0.00 17.79 18.69 1a3s h ALA 5 CO -0.00 -1.10 0.58 -0.07 0.00 0.00 0.00 179.25 178.66 1a3s h LEU 6 N -0.78 0.68 -0.25 0.00 4.07 -1.84 -0.81 115.31 116.38 1a3s h LEU 6 Ca -0.04 0.05 0.06 0.00 0.08 0.00 0.00 57.88 58.03 1a3s h LEU 6 Cb 0.71 -0.09 -0.06 0.00 1.08 0.00 0.00 40.66 42.30 1a3s h LEU 6 CO -0.13 0.34 -0.14 0.28 -1.08 0.00 0.00 178.44 177.71 1a3s h SER 7 N 0.71 -0.45 0.13 -0.43 0.02 -0.62 0.21 113.55 113.12 1a3s h SER 7 Ca 0.46 0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.51 1a3s h SER 7 Cb 0.73 0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.52 1a3s h SER 7 CO -0.22 -0.17 -0.06 -0.09 -1.14 0.00 0.00 176.83 175.14 1a3s h ARG 8 N -0.11 -0.16 -0.42 3.45 9.65 -0.81 -2.00 114.38 123.98 1a3s h ARG 8 Ca 0.13 0.01 0.07 0.00 -1.10 0.00 0.00 59.98 59.10 1a3s h ARG 8 Cb 0.32 0.04 -0.07 0.00 -1.39 0.00 0.00 29.97 28.87 1a3s h ARG 8 CO -0.32 0.05 0.02 -0.07 2.80 0.00 0.00 179.97 182.45 1a3s h LEU 9 N -0.36 -0.13 -1.21 3.80 3.38 -1.02 0.36 115.31 120.13 1a3s h LEU 9 Ca -0.02 0.09 0.20 0.00 0.09 0.00 0.00 57.88 58.24 1a3s h LEU 9 Cb 0.29 0.16 -0.09 0.00 0.09 0.00 0.00 40.66 41.11 1a3s h LEU 9 CO 0.03 -0.03 0.62 0.00 0.09 0.00 0.00 178.44 179.14 1a3s h ALA 10 N 1.36 1.90 0.07 1.53 0.00 -0.44 0.07 119.26 123.75 1a3s h ALA 10 Ca 0.21 0.05 -0.29 0.00 0.00 0.00 0.00 54.91 54.88 1a3s h ALA 10 Cb 0.29 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.04 1a3s h ALA 10 CO -0.33 -0.25 -1.17 0.37 0.00 0.00 0.00 179.25 177.88 1a3s h GLN 11 N 0.62 0.65 0.04 0.00 4.15 -0.09 -3.27 115.11 117.21 1a3s h GLN 11 Ca 0.54 -0.79 0.03 0.00 0.77 0.00 0.00 58.65 59.20 1a3s h GLN 11 Cb 1.04 0.25 -0.05 0.00 0.21 0.00 0.00 27.48 28.93 1a3s h GLN 11 CO -0.30 1.35 -0.34 0.93 -1.93 0.00 0.00 178.83 178.54 1a3s h GLU 12 N 0.32 -0.50 -0.92 1.69 4.39 0.16 -1.89 114.58 117.82 1a3s h GLU 12 Ca -0.16 0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.59 1a3s h GLU 12 Cb 1.83 0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 30.55 1a3s h GLU 12 CO 0.22 -0.34 0.61 0.07 -1.16 0.00 0.00 179.01 178.42 1a3s h ARG 13 N -0.52 1.19 -0.60 2.33 0.11 -1.57 -1.16 114.38 114.16 1a3s h ARG 13 Ca 0.05 -0.07 0.09 0.00 0.10 0.00 0.00 59.98 60.15 1a3s h ARG 13 Cb 0.59 -0.27 -0.07 0.00 1.11 0.00 0.00 29.97 31.33 1a3s h ARG 13 CO -0.25 0.79 0.22 0.87 0.10 0.00 0.00 179.97 181.70 1a3s h LYS 14 N 1.23 0.39 0.91 0.08 1.57 -1.51 0.36 116.57 119.60 1a3s h LYS 14 Ca 0.34 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 59.06 1a3s h LYS 14 Cb -0.11 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 32.12 1a3s h LYS 14 CO -0.08 0.26 -0.45 0.00 -0.57 0.00 0.00 179.45 178.60 1a3s h ALA 15 N 1.41 -1.24 -0.34 3.86 0.00 -0.52 -2.73 119.26 119.71 1a3s h ALA 15 Ca 0.30 -0.27 0.07 0.00 0.00 0.00 0.00 54.91 55.01 1a3s h ALA 15 Cb 0.37 0.49 -0.07 0.00 0.00 0.00 0.00 17.79 18.57 1a3s h ALA 15 CO -0.30 -1.20 -0.17 2.35 0.00 0.00 0.00 179.25 179.93 1a3s h TRP 16 N -1.24 -0.41 -0.95 0.00 2.91 -0.86 -1.02 115.95 114.39 1a3s h TRP 16 Ca -0.12 0.04 0.27 0.00 1.13 0.00 0.00 58.89 60.20 1a3s h TRP 16 Cb 0.95 0.23 -0.14 0.00 -0.51 0.00 0.00 29.16 29.70 1a3s h TRP 16 CO -0.02 -0.24 0.45 -0.09 -1.03 0.00 0.00 178.44 177.52 1a3s h ARG 17 N -0.11 0.33 -0.22 2.65 9.65 -0.25 0.93 114.38 127.36 1a3s h ARG 17 Ca 0.17 -0.02 -0.04 0.00 -1.10 0.00 0.00 59.98 58.99 1a3s h ARG 17 Cb 0.37 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.87 1a3s h ARG 17 CO -0.41 0.22 -0.01 -0.22 2.80 0.00 0.00 179.97 182.35 1a3s h LYS 18 N 0.34 0.39 -2.39 0.20 1.63 -0.88 -3.45 116.57 112.41 1a3s h LYS 18 Ca 0.65 -0.13 -0.06 0.00 -0.85 0.00 0.00 60.65 60.25 1a3s h LYS 18 Cb 1.36 -0.03 -0.24 0.00 -0.60 0.00 0.00 32.23 32.72 1a3s h LYS 18 CO -0.59 0.59 -0.18 0.34 -3.45 0.00 0.00 179.45 176.16 1a3s s ASP 19 N -5.91 -0.68 0.11 4.20 2.15 0.32 -5.13 116.67 111.72 1a3s s ASP 19 Ca -0.14 1.14 -0.08 0.00 0.43 0.00 0.00 52.55 53.90 1a3s s ASP 19 Cb 0.07 1.03 -0.01 0.00 -0.30 0.00 0.00 42.92 43.71 1a3s s ASP 19 CO 0.74 -0.21 0.20 -1.38 -0.17 0.00 0.00 175.17 174.35 1a3s s HIS 20 N 1.53 0.29 0.51 -5.34 -3.43 -1.19 -4.25 115.29 103.42 1a3s s HIS 20 Ca -0.10 -0.70 -0.21 0.00 -0.80 0.00 0.00 55.06 53.25 1a3s s HIS 20 Cb -0.07 -0.10 -0.06 0.00 -1.43 0.00 0.00 32.58 30.91 1a3s s HIS 20 CO -0.16 -0.59 1.18 -2.14 -2.00 0.00 0.00 174.74 171.04 1a3s s PRO 21 N -3.91 3.47 0.33 -0.38 0.02 -1.26 -4.94 135.00 128.33 1a3s s PRO 21 Ca 0.10 1.79 -0.29 0.00 0.02 0.00 0.00 61.00 62.62 1a3s s PRO 21 Cb 0.05 -2.22 -0.10 0.00 0.02 0.00 0.00 34.50 32.25 1a3s s PRO 21 CO -0.07 -0.79 1.35 0.12 -0.33 0.00 0.00 177.00 177.28 1a3s s PHE 22 N -1.58 2.98 0.00 6.54 2.19 -1.26 -2.99 117.98 123.86 1a3s s PHE 22 Ca 0.69 1.33 0.00 0.00 0.33 0.00 0.00 56.93 59.28 1a3s s PHE 22 Cb -0.29 -3.75 0.00 0.00 -1.31 0.00 0.00 43.02 37.67 1a3s s PHE 22 CO 0.34 -2.12 0.00 0.41 1.83 0.00 0.00 175.22 175.68 1a3s n GLY 23 N 0.92 2.96 3.81 13.12 0.00 -1.26 -4.99 105.19 119.74 1a3s n GLY 23 Ca 0.01 -0.56 -0.32 0.00 0.00 0.00 0.00 46.02 45.14 1a3s n GLY 23 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a3s s PHE 24 N -1.50 3.05 -0.02 1.61 0.40 -1.16 -4.55 117.98 115.81 1a3s s PHE 24 Ca 0.00 1.49 0.02 0.00 -0.60 0.00 0.00 56.93 57.85 1a3s s PHE 24 Cb 0.00 -2.97 -0.00 0.00 0.51 0.00 0.00 43.02 40.56 1a3s s PHE 24 CO 0.00 -1.07 -0.08 0.08 0.70 0.00 0.00 175.22 174.85 1a3s s VAL 25 N -2.55 0.67 -0.25 -0.44 1.01 -0.88 -4.93 120.40 113.03 1a3s s VAL 25 Ca 0.62 -0.33 -0.05 0.00 0.00 0.00 0.00 61.98 62.22 1a3s s VAL 25 Cb -0.15 -0.59 0.13 0.00 0.00 0.00 0.00 36.38 35.77 1a3s s VAL 25 CO 0.39 0.20 0.49 0.00 0.00 0.00 0.00 175.10 176.19 1a3s s ALA 26 N 0.03 -1.55 -0.17 5.51 0.00 -1.26 0.51 121.76 124.82 1a3s s ALA 26 Ca -0.00 1.60 -0.18 0.00 0.00 0.00 0.00 51.96 53.38 1a3s s ALA 26 Cb -0.06 -1.67 0.05 0.00 0.00 0.00 0.00 23.12 21.44 1a3s s ALA 26 CO -0.00 -1.03 0.51 0.54 0.00 0.00 0.00 175.76 175.78 1a3s s VAL 27 N 2.71 0.00 0.11 0.00 0.11 -0.72 -4.99 120.40 117.62 1a3s s VAL 27 Ca 0.05 -0.03 -0.31 0.00 -2.93 0.00 0.00 61.98 58.76 1a3s s VAL 27 Cb -0.13 -0.72 -0.08 0.00 -1.53 0.00 0.00 36.38 33.91 1a3s s VAL 27 CO -0.16 -0.02 1.42 -2.84 -3.33 0.00 0.00 175.10 170.17 1a3s s PRO 28 N 0.07 4.30 0.34 1.54 0.02 -1.26 0.28 135.00 140.29 1a3s s PRO 28 Ca -0.02 2.11 -0.29 0.00 0.02 0.00 0.00 61.00 62.83 1a3s s PRO 28 Cb -0.03 -3.28 -0.11 0.00 0.02 0.00 0.00 34.50 31.10 1a3s s PRO 28 CO 0.01 -0.48 1.46 0.95 -0.33 0.00 0.00 177.00 178.61 1a3s s THR 29 N 1.27 2.27 -0.03 0.99 -4.23 0.78 -4.81 115.64 111.88 1a3s s THR 29 Ca 0.65 0.26 -0.30 0.00 -1.18 0.00 0.00 61.69 61.13 1a3s s THR 29 Cb -0.37 -3.17 -0.04 0.00 1.34 0.00 0.00 72.50 70.26 1a3s s THR 29 CO 0.30 0.06 1.28 -0.54 -0.54 0.00 0.00 174.62 175.18 1a3s s LYS 30 N -1.61 4.33 0.55 3.99 -0.14 -1.26 -1.61 119.74 123.98 1a3s s LYS 30 Ca 0.54 1.79 -0.09 0.00 -1.36 0.00 0.00 55.97 56.85 1a3s s LYS 30 Cb -0.45 -3.55 -0.04 0.00 -1.68 0.00 0.00 37.83 32.11 1a3s s LYS 30 CO 0.56 -0.49 0.92 1.21 -0.76 0.00 0.00 175.35 176.80 1a3s s ASN 31 N 1.62 6.28 1.14 2.83 3.84 -1.26 -4.82 114.94 124.57 1a3s s ASN 31 Ca 0.59 1.23 -0.17 0.00 0.21 0.00 0.00 52.86 54.72 1a3s s ASN 31 Cb -0.27 -2.38 0.23 0.00 -0.55 0.00 0.00 41.25 38.27 1a3s s ASN 31 CO 0.24 -0.72 0.48 -2.65 -2.79 0.00 0.00 177.10 171.67 1a3s n PRO 32 N -2.41 -2.95 -1.96 0.43 -0.02 -1.26 -4.13 135.00 122.69 1a3s n PRO 32 Ca 0.04 -0.87 -0.12 0.00 -2.02 0.00 0.00 63.50 60.52 1a3s n PRO 32 Cb 0.54 -1.63 0.01 0.00 -0.02 0.00 0.00 33.50 32.41 1a3s n PRO 32 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1a3s n ASP 33 N -2.63 -2.46 0.00 2.55 5.68 -1.26 -2.06 116.55 116.38 1a3s n ASP 33 Ca 0.08 -0.01 0.00 0.00 -0.50 0.00 0.00 54.79 54.36 1a3s n ASP 33 Cb 0.43 -0.68 0.00 0.00 -1.14 0.00 0.00 41.12 39.74 1a3s n ASP 33 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1a3s n GLY 34 N 0.17 0.00 0.00 6.12 0.00 -1.26 -4.85 105.19 105.37 1a3s n GLY 34 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1a3s n GLY 34 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a3s n THR 35 N -0.20 0.00 0.00 2.61 -2.24 -0.87 -4.92 114.28 108.66 1a3s n THR 35 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1a3s n THR 35 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1a3s n THR 35 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 1a3s n MET 36 N 0.00 0.00 -3.99 -0.78 1.56 -1.26 -4.09 117.12 108.56 1a3s n MET 36 Ca 0.00 0.00 -0.33 0.00 -0.27 0.00 0.00 57.70 57.10 1a3s n MET 36 Cb 0.00 0.00 -0.14 0.00 2.15 0.00 0.00 33.22 35.23 1a3s n MET 36 CO 0.00 0.00 0.00 1.21 -0.73 0.00 0.00 175.97 176.45 1a3s s ASN 37 N 0.00 4.71 0.02 6.12 3.84 -0.64 -4.63 114.94 124.36 1a3s s ASN 37 Ca 0.00 -1.58 0.29 0.00 0.21 0.00 0.00 52.86 51.78 1a3s s ASN 37 Cb 0.00 -1.64 1.18 0.00 -0.55 0.00 0.00 41.25 40.25 1a3s s ASN 37 CO 0.00 -0.28 1.90 0.18 -2.79 0.00 0.00 177.10 176.11 1a3s n LEU 38 N 4.46 0.08 -1.52 3.21 4.77 -1.26 -3.33 117.00 123.41 1a3s n LEU 38 Ca -0.09 0.49 0.05 0.00 -0.03 0.00 0.00 56.01 56.43 1a3s n LEU 38 Cb 0.42 -0.48 0.30 0.00 -2.33 0.00 0.00 43.42 41.33 1a3s n LEU 38 CO 0.24 -0.01 0.71 0.23 -1.33 0.00 0.00 177.39 177.23 1a3s n MET 39 N -1.56 3.85 -3.24 3.23 2.81 -1.26 -4.65 117.12 116.31 1a3s n MET 39 Ca 0.07 -2.33 -0.02 0.00 -1.81 0.00 0.00 57.70 53.61 1a3s n MET 39 Cb 0.35 -2.05 -0.04 0.00 -0.71 0.00 0.00 33.22 30.77 1a3s n MET 39 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 1a3s s ASN 40 N -0.59 -0.61 0.02 7.83 3.04 -1.21 -2.44 114.94 120.98 1a3s s ASN 40 Ca 0.40 0.20 0.04 0.00 0.04 0.00 0.00 52.86 53.55 1a3s s ASN 40 Cb 0.31 1.61 -0.03 0.00 -1.54 0.00 0.00 41.25 41.60 1a3s s ASN 40 CO 0.12 -0.31 -0.09 0.26 -3.04 0.00 0.00 177.10 174.04 1a3s s TRP 41 N 2.70 2.81 -0.21 0.43 0.52 -0.46 -0.16 118.94 124.57 1a3s s TRP 41 Ca 0.13 -0.09 -0.06 0.00 0.02 0.00 0.00 56.10 56.10 1a3s s TRP 41 Cb -0.13 -1.57 -0.03 0.00 -1.15 0.00 0.00 33.47 30.59 1a3s s TRP 41 CO -0.24 0.35 0.03 -1.21 0.02 0.00 0.00 176.95 175.90 1a3s s GLU 42 N -1.47 3.67 0.41 4.98 2.02 0.14 -1.51 118.70 126.95 1a3s s GLU 42 Ca 0.17 -0.48 0.04 0.00 0.02 0.00 0.00 54.97 54.71 1a3s s GLU 42 Cb -0.11 -3.18 -0.04 0.00 0.10 0.00 0.00 34.13 30.90 1a3s s GLU 42 CO 0.07 -0.02 0.06 0.00 0.02 0.00 0.00 175.26 175.39 1a3s s ALA 44 N -3.07 -0.52 -0.13 0.00 0.00 0.18 -1.60 121.76 116.62 1a3s s ALA 44 Ca 0.25 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.51 1a3s s ALA 44 Cb 0.06 -0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.09 1a3s s ALA 44 CO 0.13 -0.18 -0.11 0.42 0.00 0.00 0.00 175.76 176.02 1a3s s ILE 45 N -0.72 1.30 0.40 0.00 1.01 0.12 -2.08 121.20 121.22 1a3s s ILE 45 Ca -0.08 -0.47 -0.26 0.00 0.00 0.00 0.00 60.65 59.85 1a3s s ILE 45 Cb -0.05 -1.26 -0.08 0.00 0.01 0.00 0.00 42.46 41.08 1a3s s ILE 45 CO 0.02 0.41 1.23 -2.84 0.00 0.00 0.00 174.94 173.76 1a3s s PRO 46 N 1.56 4.02 0.66 2.79 0.02 -1.26 -1.49 135.00 141.30 1a3s s PRO 46 Ca 0.04 1.98 -0.17 0.00 0.02 0.00 0.00 61.00 62.87 1a3s s PRO 46 Cb -0.13 -2.72 0.00 0.00 0.02 0.00 0.00 34.50 31.67 1a3s s PRO 46 CO -0.09 -0.39 1.20 0.20 -0.33 0.00 0.00 177.00 177.59 1a3s s GLY 47 N -0.96 2.52 -0.02 0.52 0.00 -0.43 -4.94 107.32 104.02 1a3s s GLY 47 Ca 0.57 0.92 -0.29 0.00 0.00 0.00 0.00 44.72 45.92 1a3s s GLY 47 CO 0.43 1.31 0.92 1.25 0.00 0.00 0.00 173.10 177.01 1a3s s LYS 48 N -3.66 4.53 0.23 2.90 2.20 -1.26 -4.47 119.74 120.21 1a3s s LYS 48 Ca 0.75 1.31 -0.31 0.00 -0.36 0.00 0.00 55.97 57.36 1a3s s LYS 48 Cb -0.29 -3.46 -0.11 0.00 -1.51 0.00 0.00 37.83 32.46 1a3s s LYS 48 CO 0.39 -0.03 1.56 -1.59 -0.36 0.00 0.00 175.35 175.33 1a3s s LYS 49 N 0.99 4.19 0.00 4.03 0.00 -1.26 -2.44 119.74 125.24 1a3s s LYS 49 Ca 0.49 2.44 0.00 0.00 0.00 0.00 0.00 55.97 58.90 1a3s s LYS 49 Cb -0.20 -3.09 0.00 0.00 0.00 0.00 0.00 37.83 34.54 1a3s s LYS 49 CO 0.26 -0.58 0.00 0.41 0.00 0.00 0.00 175.35 175.43 1a3s n GLY 50 N 2.89 0.50 3.49 0.59 0.00 -1.26 -5.02 105.19 106.38 1a3s n GLY 50 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 1a3s n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a3s s THR 51 N -2.00 2.02 -0.82 2.61 -4.23 -1.02 -5.02 115.64 107.18 1a3s s THR 51 Ca 0.00 -2.19 0.10 0.00 -1.18 0.00 0.00 61.69 58.42 1a3s s THR 51 Cb 0.00 -2.53 0.09 0.00 1.34 0.00 0.00 72.50 71.40 1a3s s THR 51 CO 0.00 -0.26 1.30 -0.81 -0.54 0.00 0.00 174.62 174.31 1a3s n PRO 52 N -0.69 0.04 0.02 3.99 -0.04 -1.26 -1.27 135.00 135.79 1a3s n PRO 52 Ca -0.05 0.45 0.13 0.00 -0.04 0.00 0.00 63.50 63.98 1a3s n PRO 52 Cb 0.63 -1.61 0.39 0.00 -0.04 0.00 0.00 33.50 32.87 1a3s n PRO 52 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1a3s n TRP 53 N -1.69 0.20 -1.62 0.54 7.02 -1.26 -4.34 117.44 116.28 1a3s n TRP 53 Ca 0.01 0.06 -0.46 0.00 -1.02 0.00 0.00 57.50 56.08 1a3s n TRP 53 Cb 0.07 -0.48 -0.03 0.00 -2.42 0.00 0.00 31.31 28.45 1a3s n TRP 53 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1a3s n GLU 54 N -1.69 1.59 0.00 -0.99 2.13 -0.39 -2.74 120.64 118.54 1a3s n GLU 54 Ca 0.06 0.56 0.00 0.00 0.66 0.00 0.00 57.16 58.44 1a3s n GLU 54 Cb 0.36 -2.11 0.00 0.00 0.27 0.00 0.00 31.44 29.96 1a3s n GLU 54 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1a3s n GLY 55 N 1.93 3.14 3.85 8.31 0.00 -1.26 -4.87 105.19 116.29 1a3s n GLY 55 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1a3s n GLY 55 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a3s s GLY 56 N -1.98 2.13 -0.29 -0.02 0.00 -1.11 -4.12 107.32 101.93 1a3s s GLY 56 Ca 0.00 0.02 0.01 0.00 0.00 0.00 0.00 44.72 44.75 1a3s s GLY 56 CO 0.00 0.24 0.03 -2.27 0.00 0.00 0.00 173.10 171.10 1a3s s LEU 57 N -3.57 3.04 -0.18 0.66 0.20 -0.94 -1.31 118.68 116.58 1a3s s LEU 57 Ca 0.55 -1.58 -0.18 0.00 0.69 0.00 0.00 54.13 53.61 1a3s s LEU 57 Cb -0.10 -1.19 -0.04 0.00 -0.43 0.00 0.00 46.19 44.44 1a3s s LEU 57 CO 0.25 -0.33 0.48 -0.36 -0.29 0.00 0.00 176.35 176.09 1a3s s PHE 58 N 1.34 3.40 -0.10 5.38 0.08 -0.56 -4.82 117.98 122.70 1a3s s PHE 58 Ca 0.04 0.75 -0.18 0.00 0.12 0.00 0.00 56.93 57.66 1a3s s PHE 58 Cb -0.18 -2.61 -0.04 0.00 -0.57 0.00 0.00 43.02 39.62 1a3s s PHE 58 CO -0.13 -0.02 0.50 0.21 -0.10 0.00 0.00 175.22 175.68 1a3s s LYS 59 N 1.34 4.32 0.01 0.44 2.20 -1.26 0.10 119.74 126.88 1a3s s LYS 59 Ca 0.23 0.50 0.00 0.00 -0.36 0.00 0.00 55.97 56.34 1a3s s LYS 59 Cb -0.15 -3.41 -0.01 0.00 -1.51 0.00 0.00 37.83 32.75 1a3s s LYS 59 CO 0.09 0.21 -0.01 -0.48 -0.36 0.00 0.00 175.35 174.80 1a3s s LEU 60 N 0.45 2.06 0.09 5.43 -0.00 -0.63 -0.89 118.68 125.20 1a3s s LEU 60 Ca 0.27 -0.14 -0.08 0.00 -0.00 0.00 0.00 54.13 54.18 1a3s s LEU 60 Cb -0.16 -0.01 -0.06 0.00 -0.00 0.00 0.00 46.19 45.97 1a3s s LEU 60 CO 0.12 -0.07 0.38 -0.60 -0.00 0.00 0.00 176.35 176.17 1a3s s ARG 61 N -0.39 3.69 -0.22 1.48 3.52 0.70 -1.55 118.95 126.18 1a3s s ARG 61 Ca -0.04 0.06 -0.00 0.00 -0.13 0.00 0.00 55.73 55.62 1a3s s ARG 61 Cb -0.03 -2.96 0.06 0.00 -1.56 0.00 0.00 34.95 30.46 1a3s s ARG 61 CO -0.00 0.54 -0.04 1.41 -0.81 0.00 0.00 175.30 176.40 1a3s s MET 62 N -2.14 1.44 -0.13 5.12 1.75 -0.57 -0.18 119.30 124.59 1a3s s MET 62 Ca 0.35 -0.81 -0.04 0.00 -1.25 0.00 0.00 55.69 53.94 1a3s s MET 62 Cb -0.13 -2.41 -0.03 0.00 2.84 0.00 0.00 34.83 35.10 1a3s s MET 62 CO 0.20 -0.57 -0.01 -0.51 -0.65 0.00 0.00 175.02 173.48 1a3s s LEU 63 N 1.51 3.47 0.13 4.11 1.43 -0.25 -1.35 118.68 127.73 1a3s s LEU 63 Ca -0.04 0.01 0.10 0.00 -1.03 0.00 0.00 54.13 53.18 1a3s s LEU 63 Cb -0.18 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 1a3s s LEU 63 CO -0.07 0.25 -0.23 -0.36 0.23 0.00 0.00 176.35 176.18 1a3s s PHE 64 N -0.13 2.42 0.48 0.29 0.40 -1.02 -0.44 117.98 119.97 1a3s s PHE 64 Ca 0.04 -0.32 0.08 0.00 -0.60 0.00 0.00 56.93 56.13 1a3s s PHE 64 Cb -0.13 -1.29 0.03 0.00 0.51 0.00 0.00 43.02 42.15 1a3s s PHE 64 CO 0.02 0.37 0.61 0.15 0.70 0.00 0.00 175.22 177.07 1a3s s LYS 65 N -2.13 2.57 0.47 0.44 1.02 -1.26 -4.90 119.74 115.96 1a3s s LYS 65 Ca 0.16 -1.47 0.24 0.00 0.02 0.00 0.00 55.97 54.92 1a3s s LYS 65 Cb -0.10 -2.62 1.17 0.00 -0.52 0.00 0.00 37.83 35.76 1a3s s LYS 65 CO 0.08 -0.48 1.96 -0.44 -0.92 0.00 0.00 175.35 175.55 1a3s h ASP 66 N 0.55 0.00 -0.41 2.83 3.32 -1.99 -2.57 116.42 118.15 1a3s h ASP 66 Ca -0.37 0.00 0.05 0.00 0.02 0.00 0.00 57.03 56.74 1a3s h ASP 66 Cb 1.28 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.78 1a3s h ASP 66 CO 0.46 0.19 0.13 0.44 -1.72 0.00 0.00 179.24 178.74 1a3s h ASP 67 N 0.00 0.11 -0.24 6.45 5.19 -1.94 -3.19 116.42 122.81 1a3s h ASP 67 Ca -0.00 0.05 -0.18 0.00 -0.62 0.00 0.00 57.03 56.28 1a3s h ASP 67 Cb 0.52 0.05 0.01 0.00 0.18 0.00 0.00 39.33 40.09 1a3s h ASP 67 CO 0.03 0.10 0.00 0.00 -3.12 0.00 0.00 179.24 176.25 1a3s n TYR 68 N -5.04 0.13 0.05 4.55 9.36 -0.97 -1.58 117.16 123.66 1a3s n TYR 68 Ca 0.03 0.25 -0.06 0.00 3.32 0.00 0.00 57.90 61.44 1a3s n TYR 68 Cb 0.16 -0.49 0.12 0.00 -0.63 0.00 0.00 39.34 38.50 1a3s n TYR 68 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 1a3s n PRO 69 N 0.35 1.98 0.09 2.98 -0.02 -1.26 -3.73 135.00 135.38 1a3s n PRO 69 Ca 0.05 -1.38 -0.13 0.00 -2.02 0.00 0.00 63.50 60.02 1a3s n PRO 69 Cb 0.02 -1.64 -0.08 0.00 -0.02 0.00 0.00 33.50 31.78 1a3s n PRO 69 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1a3s h SER 70 N 0.92 -0.19 -2.63 2.55 0.87 -1.65 -3.36 113.55 110.05 1a3s h SER 70 Ca 0.19 -0.20 -0.57 0.00 -1.23 0.00 0.00 61.79 59.98 1a3s h SER 70 Cb 1.61 0.05 -0.07 0.00 -0.44 0.00 0.00 62.40 63.55 1a3s h SER 70 CO 0.40 0.10 -0.58 -0.94 -0.53 0.00 0.00 176.83 175.29 1a3s s SER 71 N -5.23 5.36 0.70 6.23 1.04 -1.26 -4.86 113.70 115.68 1a3s s SER 71 Ca -0.15 -0.21 -0.09 0.00 0.48 0.00 0.00 55.95 55.98 1a3s s SER 71 Cb 0.03 -1.34 0.04 0.00 0.10 0.00 0.00 66.02 64.85 1a3s s SER 71 CO 0.62 0.05 1.05 -2.16 0.98 0.00 0.00 173.24 173.78 1a3s s PRO 72 N -3.21 2.52 0.63 4.02 0.04 -1.26 -4.22 135.00 133.52 1a3s s PRO 72 Ca 0.31 0.12 -0.14 0.00 0.04 0.00 0.00 61.00 61.33 1a3s s PRO 72 Cb -0.09 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.33 1a3s s PRO 72 CO 0.23 -1.13 1.05 -2.14 0.04 0.00 0.00 177.00 175.05 1a3s s PRO 73 N -5.30 3.22 -0.10 0.56 0.02 -1.26 -4.82 135.00 127.33 1a3s s PRO 73 Ca 0.58 1.07 -0.15 0.00 0.02 0.00 0.00 61.00 62.52 1a3s s PRO 73 Cb -0.11 -2.03 -0.05 0.00 0.02 0.00 0.00 34.50 32.34 1a3s s PRO 73 CO 0.48 -0.88 0.39 0.15 -0.33 0.00 0.00 177.00 176.81 1a3s s LYS 74 N -4.51 4.15 -0.22 5.54 1.02 0.42 -4.92 119.74 121.23 1a3s s LYS 74 Ca 0.61 0.31 0.00 0.00 0.02 0.00 0.00 55.97 56.90 1a3s s LYS 74 Cb -0.14 -3.36 0.03 0.00 -0.52 0.00 0.00 37.83 33.83 1a3s s LYS 74 CO 0.44 0.37 -0.13 0.00 -0.92 0.00 0.00 175.35 175.11 1a3s s LYS 76 N 1.28 3.23 -0.01 0.00 1.02 0.74 -1.35 119.74 124.66 1a3s s LYS 76 Ca 0.01 -0.74 -0.30 0.00 0.02 0.00 0.00 55.97 54.96 1a3s s LYS 76 Cb -0.16 -2.52 -0.03 0.00 -0.52 0.00 0.00 37.83 34.60 1a3s s LYS 76 CO -0.08 0.23 0.99 -0.06 -0.92 0.00 0.00 175.35 175.51 1a3s s PHE 77 N 0.28 3.64 -0.23 3.18 0.08 0.94 0.25 117.98 126.12 1a3s s PHE 77 Ca -0.12 1.68 0.02 0.00 0.12 0.00 0.00 56.93 58.63 1a3s s PHE 77 Cb -0.16 -3.14 0.05 0.00 -0.57 0.00 0.00 43.02 39.20 1a3s s PHE 77 CO 0.06 -0.07 -0.10 -1.21 -0.10 0.00 0.00 175.22 173.81 1a3s s GLU 78 N 1.13 2.06 1.18 0.44 2.02 -0.06 -2.28 118.70 123.19 1a3s s GLU 78 Ca 0.52 -1.04 -0.19 0.00 0.02 0.00 0.00 54.97 54.27 1a3s s GLU 78 Cb -0.21 -2.62 0.28 0.00 0.10 0.00 0.00 34.13 31.68 1a3s s GLU 78 CO 0.27 -0.50 1.15 -2.14 0.02 0.00 0.00 175.26 174.06 1a3s s PRO 79 N 1.29 -1.06 0.65 0.39 0.02 -1.26 -4.51 135.00 130.52 1a3s s PRO 79 Ca -0.05 -0.18 -0.17 0.00 0.02 0.00 0.00 61.00 60.62 1a3s s PRO 79 Cb -0.18 -1.63 -0.01 0.00 0.02 0.00 0.00 34.50 32.71 1a3s s PRO 79 CO -0.07 -3.58 1.23 -2.14 -0.33 0.00 0.00 177.00 172.10 1a3s s PRO 80 N -5.53 2.61 0.11 5.54 0.02 -0.96 -4.97 135.00 131.81 1a3s s PRO 80 Ca 0.72 1.86 0.05 0.00 0.02 0.00 0.00 61.00 63.65 1a3s s PRO 80 Cb -0.08 -1.88 -0.04 0.00 0.02 0.00 0.00 34.50 32.52 1a3s s PRO 80 CO 0.55 -1.50 0.02 -0.51 -0.33 0.00 0.00 177.00 175.24 1a3s s LEU 81 N -4.49 3.51 -0.66 -5.54 1.43 -1.26 -4.99 118.68 106.68 1a3s s LEU 81 Ca 0.78 -0.19 -0.27 0.00 -1.03 0.00 0.00 54.13 53.42 1a3s s LEU 81 Cb -0.32 -2.21 0.01 0.00 0.03 0.00 0.00 46.19 43.70 1a3s s LEU 81 CO 0.39 0.15 1.45 0.12 0.23 0.00 0.00 176.35 178.69 1a3s s PHE 82 N -1.42 2.14 -0.27 0.29 2.19 -1.26 -4.82 117.98 114.83 1a3s s PHE 82 Ca 0.27 0.28 -0.23 0.00 0.33 0.00 0.00 56.93 57.58 1a3s s PHE 82 Cb -0.11 -4.44 0.08 0.00 -1.31 0.00 0.00 43.02 37.24 1a3s s PHE 82 CO 0.19 -2.10 0.77 -1.58 1.83 0.00 0.00 175.22 174.34 1a3s s HIS 83 N 6.60 -0.78 0.66 10.12 2.46 -1.26 -4.91 115.29 128.18 1a3s s HIS 83 Ca 0.47 1.82 0.34 0.00 0.47 0.00 0.00 55.06 58.15 1a3s s HIS 83 Cb -0.10 0.35 1.84 0.00 -0.13 0.00 0.00 32.58 34.54 1a3s s HIS 83 CO 0.19 -0.38 2.04 -1.00 -2.47 0.00 0.00 174.74 173.13 1a3s h PRO 84 N 5.23 0.00 -0.28 2.88 0.13 -1.82 -2.53 132.00 135.61 1a3s h PRO 84 Ca -0.29 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.77 1a3s h PRO 84 Cb 1.17 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.26 1a3s h PRO 84 CO 0.08 0.00 -0.02 0.09 -0.23 0.00 0.00 178.00 177.92 1a3s n ASN 85 N -3.00 3.20 -4.08 1.44 4.13 -1.26 -1.53 115.26 114.16 1a3s n ASN 85 Ca -0.02 -3.32 -0.32 0.00 1.68 0.00 0.00 54.58 52.60 1a3s n ASN 85 Cb 0.31 -0.57 -0.16 0.00 -1.54 0.00 0.00 39.78 37.82 1a3s n ASN 85 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1a3s s VAL 86 N -3.00 2.01 0.82 2.41 1.01 -0.95 -0.81 120.40 121.89 1a3s s VAL 86 Ca 0.42 -1.13 -0.12 0.00 0.00 0.00 0.00 61.98 61.16 1a3s s VAL 86 Cb 0.36 -1.94 0.09 0.00 0.00 0.00 0.00 36.38 34.90 1a3s s VAL 86 CO 0.05 0.33 1.15 -0.31 0.00 0.00 0.00 175.10 176.32 1a3s s TYR 87 N 1.26 1.97 0.64 5.22 2.02 0.41 -3.93 117.35 124.94 1a3s s TYR 87 Ca 0.00 1.68 0.33 0.00 -0.37 0.00 0.00 57.07 58.72 1a3s s TYR 87 Cb -0.15 -3.31 1.84 0.00 -0.40 0.00 0.00 41.96 39.93 1a3s s TYR 87 CO -0.10 -2.51 2.09 -1.00 -1.57 0.00 0.00 175.55 172.47 1a3s h PRO 88 N -1.21 0.00 -0.00 -1.71 0.13 -1.89 0.50 132.00 127.82 1a3s h PRO 88 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1a3s h PRO 88 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1a3s h PRO 88 CO 0.46 0.00 -0.03 -1.13 -0.23 0.00 0.00 178.00 177.08 1a3s n SER 89 N -3.27 0.04 0.00 1.44 3.41 -1.26 -4.77 113.62 109.21 1a3s n SER 89 Ca -0.01 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 1a3s n SER 89 Cb 0.30 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 1a3s n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a3s n GLY 90 N 1.43 0.31 3.75 5.00 0.00 0.18 -4.76 105.19 111.10 1a3s n GLY 90 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1a3s n GLY 90 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a3s s THR 91 N -2.10 2.99 -0.08 2.61 2.01 -1.25 -0.04 115.64 119.77 1a3s s THR 91 Ca 0.00 0.87 -0.14 0.00 0.31 0.00 0.00 61.69 62.73 1a3s s THR 91 Cb 0.00 -3.56 -0.05 0.00 0.01 0.00 0.00 72.50 68.90 1a3s s THR 91 CO 0.00 0.16 0.35 -0.69 -0.69 0.00 0.00 174.62 173.75 1a3s s VAL 92 N -0.31 5.20 -0.45 3.82 1.01 -0.45 -0.44 120.40 128.78 1a3s s VAL 92 Ca 0.54 0.69 -0.10 0.00 0.00 0.00 0.00 61.98 63.11 1a3s s VAL 92 Cb -0.38 -3.67 0.09 0.00 0.00 0.00 0.00 36.38 32.42 1a3s s VAL 92 CO 0.43 0.48 0.31 0.00 0.00 0.00 0.00 175.10 176.33 1a3s s LEU 94 N 1.44 2.07 0.46 0.00 2.96 -1.26 -4.92 118.68 119.43 1a3s s LEU 94 Ca 0.04 -0.30 0.11 0.00 -0.22 0.00 0.00 54.13 53.76 1a3s s LEU 94 Cb -0.24 -0.67 1.04 0.00 0.50 0.00 0.00 46.19 46.82 1a3s s LEU 94 CO 0.02 0.13 2.10 0.77 -1.32 0.00 0.00 176.35 178.04 1a3s h SER 95 N 5.56 0.26 0.59 3.68 4.64 -1.96 -0.95 113.55 125.36 1a3s h SER 95 Ca -0.35 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1a3s h SER 95 Cb 1.17 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1a3s h SER 95 CO 0.47 0.19 0.00 2.30 -0.87 0.00 0.00 176.83 178.93 1a3s n ILE 96 N -4.50 0.50 -0.33 0.95 -5.35 -1.26 -1.32 119.36 108.05 1a3s n ILE 96 Ca 0.00 0.13 0.10 0.00 -0.27 0.00 0.00 62.75 62.71 1a3s n ILE 96 Cb 0.08 -0.78 0.32 0.00 -1.74 0.00 0.00 39.64 37.52 1a3s n ILE 96 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1a3s n LEU 97 N -1.42 4.11 -4.38 7.28 4.32 -0.36 -3.38 117.00 123.17 1a3s n LEU 97 Ca 0.07 -2.06 -0.33 0.00 -0.02 0.00 0.00 56.01 53.66 1a3s n LEU 97 Cb 0.21 -0.51 -0.14 0.00 -1.62 0.00 0.00 43.42 41.36 1a3s n LEU 97 CO 0.18 0.85 -0.42 -1.61 -1.22 0.00 0.00 177.39 175.16 1a3s s GLU 98 N -1.45 3.42 0.18 3.23 0.41 -0.92 -4.79 118.70 118.78 1a3s s GLU 98 Ca 0.47 -0.65 -0.14 0.00 -0.41 0.00 0.00 54.97 54.24 1a3s s GLU 98 Cb 0.28 -2.73 0.08 0.00 -1.78 0.00 0.00 34.13 29.97 1a3s s GLU 98 CO 0.27 0.15 1.84 1.49 -0.49 0.00 0.00 175.26 178.52 1a3s h GLU 99 N 6.94 0.72 -0.00 1.61 4.22 -1.89 -1.82 114.58 124.36 1a3s h GLU 99 Ca -0.29 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.10 1a3s h GLU 99 Cb 1.20 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1a3s h GLU 99 CO 0.58 0.48 -0.04 -0.40 -2.18 0.00 0.00 179.01 177.45 1a3s n ASP 100 N -4.71 0.28 0.00 1.04 5.68 -1.26 -4.50 116.55 113.08 1a3s n ASP 100 Ca 0.04 -0.69 0.00 0.00 -0.50 0.00 0.00 54.79 53.64 1a3s n ASP 100 Cb 0.02 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 39.91 1a3s n ASP 100 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1a3s n LYS 101 N -0.95 0.00 -0.37 0.11 5.02 -0.72 -4.96 118.16 116.28 1a3s n LYS 101 Ca 0.18 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.54 1a3s n LYS 101 Cb 0.22 0.00 0.25 0.00 -0.02 0.00 0.00 35.03 35.48 1a3s n LYS 101 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1a3s n ASP 102 N 0.00 3.23 -4.74 4.39 9.92 -0.43 -4.96 116.55 123.96 1a3s n ASP 102 Ca 0.00 -2.18 -0.42 0.00 -0.53 0.00 0.00 54.79 51.66 1a3s n ASP 102 Cb 0.00 -0.43 -0.02 0.00 -0.64 0.00 0.00 41.12 40.03 1a3s n ASP 102 CO 0.00 0.00 0.00 0.86 0.13 0.00 0.00 177.20 178.19 1a3s s TRP 103 N -1.56 3.03 -0.01 1.24 -0.11 -0.96 -4.67 118.94 115.89 1a3s s TRP 103 Ca 0.36 0.94 0.01 0.00 1.22 0.00 0.00 56.10 58.62 1a3s s TRP 103 Cb 0.21 -3.84 0.01 0.00 -1.50 0.00 0.00 33.47 28.35 1a3s s TRP 103 CO 0.20 -2.83 -0.01 1.03 -4.62 0.00 0.00 176.95 170.72 1a3s s ARG 104 N -0.04 0.20 0.54 5.86 0.52 -1.26 -4.94 118.95 119.83 1a3s s ARG 104 Ca 0.62 -0.00 0.29 0.00 -0.52 0.00 0.00 55.73 56.11 1a3s s ARG 104 Cb -0.42 -0.28 1.45 0.00 0.52 0.00 0.00 34.95 36.21 1a3s s ARG 104 CO 0.41 -0.03 1.94 -1.35 0.02 0.00 0.00 175.30 176.28 1a3s h PRO 105 N 6.59 0.00 0.00 3.54 0.11 -1.90 -0.40 132.00 139.94 1a3s h PRO 105 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1a3s h PRO 105 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1a3s h PRO 105 CO 0.49 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.28 1a3s n ALA 106 N -2.67 1.98 -1.68 -0.75 0.00 -1.26 -4.86 120.51 111.27 1a3s n ALA 106 Ca 0.14 -0.01 -0.43 0.00 0.00 0.00 0.00 53.44 53.14 1a3s n ALA 106 Cb 0.79 -1.40 -0.01 0.00 0.00 0.00 0.00 19.45 18.83 1a3s n ALA 106 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1a3s n ILE 107 N -1.93 1.87 -3.80 0.00 5.41 -0.16 -4.97 119.36 115.78 1a3s n ILE 107 Ca 0.04 -0.47 -0.35 0.00 1.00 0.00 0.00 62.75 62.98 1a3s n ILE 107 Cb 0.30 -1.49 -0.05 0.00 -0.71 0.00 0.00 39.64 37.69 1a3s n ILE 107 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1a3s s THR 108 N -0.97 5.35 0.27 1.39 2.01 -1.26 -4.98 115.64 117.46 1a3s s THR 108 Ca 0.57 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.68 1a3s s THR 108 Cb -0.60 -3.55 0.26 0.00 0.01 0.00 0.00 72.50 68.63 1a3s s THR 108 CO 0.60 0.38 1.73 0.40 -0.69 0.00 0.00 174.62 177.04 1a3s h ILE 109 N 3.08 0.60 -0.91 1.82 2.04 -1.95 0.62 117.51 122.83 1a3s h ILE 109 Ca -0.50 -0.17 0.04 0.00 1.00 0.00 0.00 64.86 65.23 1a3s h ILE 109 Cb 1.20 0.07 -0.05 0.00 -0.74 0.00 0.00 36.82 37.30 1a3s h ILE 109 CO 0.66 0.09 0.59 0.50 0.00 0.00 0.00 178.15 179.99 1a3s h LYS 110 N 0.49 1.10 -0.31 2.37 3.64 -1.97 0.17 116.57 122.06 1a3s h LYS 110 Ca 0.49 -0.07 -0.18 0.00 -1.27 0.00 0.00 60.65 59.63 1a3s h LYS 110 Cb 0.82 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1a3s h LYS 110 CO -0.44 0.72 -0.51 1.96 -2.27 0.00 0.00 179.45 178.91 1a3s h GLN 111 N 1.13 0.89 0.50 1.90 4.20 -0.31 0.12 115.11 123.53 1a3s h GLN 111 Ca 0.36 -0.54 -0.02 0.00 0.06 0.00 0.00 58.65 58.52 1a3s h GLN 111 Cb 0.03 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1a3s h GLN 111 CO -0.11 1.18 -0.31 0.82 -0.67 0.00 0.00 178.83 179.74 1a3s h ILE 112 N 0.69 0.36 -0.05 2.54 2.04 0.32 0.22 117.51 123.63 1a3s h ILE 112 Ca 0.03 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.92 1a3s h ILE 112 Cb 1.11 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 1a3s h ILE 112 CO 0.11 0.00 -0.19 -0.07 0.00 0.00 0.00 178.15 178.00 1a3s h LEU 113 N -0.77 -0.58 -0.05 1.44 4.07 -0.66 0.38 115.31 119.14 1a3s h LEU 113 Ca -0.06 0.09 0.03 0.00 0.08 0.00 0.00 57.88 58.02 1a3s h LEU 113 Cb 0.63 0.25 -0.03 0.00 1.08 0.00 0.00 40.66 42.59 1a3s h LEU 113 CO 0.06 -0.25 -0.11 -0.07 -1.08 0.00 0.00 178.44 176.98 1a3s h LEU 114 N -0.28 -0.34 -0.61 1.67 3.38 -0.90 0.79 115.31 119.03 1a3s h LEU 114 Ca 0.07 0.06 0.12 0.00 0.09 0.00 0.00 57.88 58.22 1a3s h LEU 114 Cb 0.39 0.15 -0.12 0.00 0.09 0.00 0.00 40.66 41.17 1a3s h LEU 114 CO -0.22 -0.16 -0.20 1.23 0.09 0.00 0.00 178.44 179.19 1a3s h GLY 115 N -0.17 0.32 0.96 0.83 0.00 0.11 0.47 103.07 105.59 1a3s h GLY 115 Ca 0.06 0.26 0.01 0.00 0.00 0.00 0.00 47.33 47.66 1a3s h GLY 115 CO -0.15 -0.24 0.27 -2.22 0.00 0.00 0.00 176.54 174.20 1a3s h ILE 116 N -0.05 1.08 -0.97 2.60 2.04 0.54 -2.12 117.51 120.63 1a3s h ILE 116 Ca 0.28 -0.19 0.13 0.00 1.00 0.00 0.00 64.86 66.09 1a3s h ILE 116 Cb 0.48 0.49 -0.09 0.00 -0.74 0.00 0.00 36.82 36.97 1a3s h ILE 116 CO -0.65 0.10 0.60 -0.61 0.00 0.00 0.00 178.15 177.59 1a3s h GLN 117 N 0.54 0.88 0.00 2.37 4.15 0.12 -1.00 115.11 122.19 1a3s h GLN 117 Ca 0.16 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.53 1a3s h GLN 117 Cb -0.03 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.46 1a3s h GLN 117 CO -0.05 0.59 0.00 1.49 -1.93 0.00 0.00 178.83 178.92 1a3s h GLU 118 N 0.91 0.00 0.00 1.69 4.81 -0.53 -2.82 114.58 118.64 1a3s h GLU 118 Ca 0.50 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.55 1a3s h GLU 118 Cb 0.55 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 1a3s h GLU 118 CO -0.29 0.00 -0.85 1.25 -0.73 0.00 0.00 179.01 178.39 1a3s h LEU 119 N 0.00 0.00 -0.53 1.64 6.46 -0.83 -3.14 115.31 118.92 1a3s h LEU 119 Ca 0.00 0.00 0.09 0.00 -0.12 0.00 0.00 57.88 57.85 1a3s h LEU 119 Cb 0.49 0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 40.35 1a3s h LEU 119 CO 0.00 0.85 0.11 -0.07 -0.62 0.00 0.00 178.44 178.72 1a3s h LEU 120 N 0.00 0.01 0.00 2.25 3.38 -1.37 -2.48 115.31 117.11 1a3s h LEU 120 Ca -0.01 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1a3s h LEU 120 Cb 1.59 0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.47 1a3s h LEU 120 CO 0.11 0.03 -0.76 -3.20 0.09 0.00 0.00 178.44 174.71 1a3s n ASN 121 N -5.11 0.76 -3.35 -0.43 4.05 -1.25 -4.47 115.26 105.45 1a3s n ASN 121 Ca 0.06 -0.63 -0.26 0.00 0.45 0.00 0.00 54.58 54.20 1a3s n ASN 121 Cb 0.26 0.63 -0.08 0.00 1.23 0.00 0.00 39.78 41.83 1a3s n ASN 121 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 1a3s n GLU 122 N -1.50 1.94 -1.34 1.20 2.13 -0.96 -5.10 120.64 117.01 1a3s n GLU 122 Ca 0.05 -4.21 -0.35 0.00 0.66 0.00 0.00 57.16 53.31 1a3s n GLU 122 Cb 0.33 -1.93 0.11 0.00 0.27 0.00 0.00 31.44 30.22 1a3s n GLU 122 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1a3s n PRO 123 N 1.05 0.54 -3.66 5.31 -0.04 -1.07 -4.64 135.00 132.48 1a3s n PRO 123 Ca 0.27 0.25 -0.38 0.00 -0.04 0.00 0.00 63.50 63.60 1a3s n PRO 123 Cb 0.45 -2.48 -0.09 0.00 -0.04 0.00 0.00 33.50 31.34 1a3s n PRO 123 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1a3s s ASN 124 N -1.84 5.48 0.49 3.54 2.47 -1.26 -4.95 114.94 118.87 1a3s s ASN 124 Ca 0.77 -2.44 0.17 0.00 0.42 0.00 0.00 52.86 51.78 1a3s s ASN 124 Cb -0.33 -1.91 0.95 0.00 -1.45 0.00 0.00 41.25 38.51 1a3s s ASN 124 CO 0.47 -0.50 1.47 0.40 -3.72 0.00 0.00 177.10 175.22 1a3s h ILE 125 N 5.68 0.00 -0.26 -5.21 2.04 -1.96 -1.58 117.51 116.23 1a3s h ILE 125 Ca -0.07 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.67 1a3s h ILE 125 Cb 1.01 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 1a3s h ILE 125 CO 0.74 0.00 -0.31 -0.61 0.00 0.00 0.00 178.15 177.97 1a3s h GLN 126 N 0.00 0.53 -3.60 2.37 4.15 -2.00 -3.37 115.11 113.20 1a3s h GLN 126 Ca 0.00 -0.23 -0.65 0.00 0.77 0.00 0.00 58.65 58.54 1a3s h GLN 126 Cb 0.82 -0.02 -0.40 0.00 0.21 0.00 0.00 27.48 28.09 1a3s h GLN 126 CO 0.00 0.79 -0.62 -0.51 -1.93 0.00 0.00 178.83 176.56 1a3s s ASP 127 N -6.82 4.46 -1.16 -0.69 1.01 -0.59 -5.03 116.67 107.84 1a3s s ASP 127 Ca -0.07 -2.87 -0.18 0.00 0.71 0.00 0.00 52.55 50.14 1a3s s ASP 127 Cb 0.13 -1.66 -0.04 0.00 1.01 0.00 0.00 42.92 42.36 1a3s s ASP 127 CO 0.81 -0.27 2.07 -2.65 0.21 0.00 0.00 175.17 175.35 1a3s n PRO 128 N 3.31 2.28 -0.23 8.23 -0.02 -1.26 -4.56 135.00 142.74 1a3s n PRO 128 Ca 0.05 -2.32 -0.04 0.00 -2.02 0.00 0.00 63.50 59.17 1a3s n PRO 128 Cb 0.34 -3.16 0.13 0.00 -0.02 0.00 0.00 33.50 30.79 1a3s n PRO 128 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1a3s h ALA 129 N 6.97 1.16 -3.31 3.55 0.00 -1.59 -3.38 119.26 122.66 1a3s h ALA 129 Ca 0.49 -0.18 -0.69 0.00 0.00 0.00 0.00 54.91 54.53 1a3s h ALA 129 Cb 0.67 -0.29 -0.33 0.00 0.00 0.00 0.00 17.79 17.85 1a3s h ALA 129 CO 1.88 0.61 -0.63 -1.14 0.00 0.00 0.00 179.25 179.97 1a3s s GLN 130 N -5.49 2.31 0.08 0.00 0.74 -0.98 -4.54 119.66 111.78 1a3s s GLN 130 Ca -0.11 -1.45 -0.35 0.00 0.05 0.00 0.00 55.36 53.50 1a3s s GLN 130 Cb 0.16 -3.38 -0.16 0.00 1.10 0.00 0.00 33.01 30.73 1a3s s GLN 130 CO 0.82 -0.79 1.54 0.00 -0.55 0.00 0.00 175.29 176.31 1a3s h ALA 131 N 8.06 -1.13 -0.06 1.58 0.00 -1.89 -0.74 119.26 125.09 1a3s h ALA 131 Ca -0.19 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.57 1a3s h ALA 131 Cb 1.06 0.75 -0.05 0.00 0.00 0.00 0.00 17.79 19.55 1a3s h ALA 131 CO 0.60 -1.17 -0.46 1.49 0.00 0.00 0.00 179.25 179.72 1a3s h GLU 132 N -0.95 -0.51 -1.06 0.00 4.81 -1.97 0.77 114.58 115.67 1a3s h GLU 132 Ca -0.05 0.03 0.28 0.00 -0.13 0.00 0.00 59.36 59.49 1a3s h GLU 132 Cb 0.84 0.12 -0.10 0.00 0.63 0.00 0.00 28.75 30.24 1a3s h GLU 132 CO -0.09 -0.34 0.67 0.00 -0.73 0.00 0.00 179.01 178.52 1a3s h ALA 133 N -0.54 2.23 -0.13 2.92 0.00 -1.88 -0.70 119.26 121.16 1a3s h ALA 133 Ca 0.02 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1a3s h ALA 133 Cb 0.59 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1a3s h ALA 133 CO -0.34 -0.66 -0.18 -0.92 0.00 0.00 0.00 179.25 177.15 1a3s h TYR 134 N 0.38 0.44 0.44 0.00 3.20 0.10 -1.72 116.97 119.83 1a3s h TYR 134 Ca 0.61 -0.15 -0.02 0.00 3.14 0.00 0.00 58.73 62.32 1a3s h TYR 134 Cb 1.56 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.73 1a3s h TYR 134 CO -0.00 0.79 -0.39 1.15 -1.64 0.00 0.00 178.16 178.08 1a3s h THR 135 N -0.03 0.00 -0.88 1.81 2.02 0.18 -2.22 112.91 113.79 1a3s h THR 135 Ca 0.01 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.31 1a3s h THR 135 Cb 0.74 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.07 1a3s h THR 135 CO 0.04 0.00 0.51 0.40 0.37 0.00 0.00 175.52 176.84 1a3s h ILE 136 N -0.81 0.86 -0.19 3.11 2.04 -1.41 -0.83 117.51 120.28 1a3s h ILE 136 Ca -0.06 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 1a3s h ILE 136 Cb 0.69 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 1a3s h ILE 136 CO -0.02 0.15 0.08 0.22 0.00 0.00 0.00 178.15 178.58 1a3s h TYR 137 N 0.81 0.25 0.11 1.37 3.20 -1.07 -0.04 116.97 121.60 1a3s h TYR 137 Ca 0.45 -0.00 -0.28 0.00 3.14 0.00 0.00 58.73 62.04 1a3s h TYR 137 Cb 0.48 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.66 1a3s h TYR 137 CO -0.05 0.21 -1.41 0.00 -1.64 0.00 0.00 178.16 175.26 1a3s n GLN 139 N -3.92 2.92 -2.66 0.00 10.64 -0.61 -4.73 117.38 119.01 1a3s n GLN 139 Ca -0.25 -3.06 -0.03 0.00 -1.83 0.00 0.00 57.00 51.84 1a3s n GLN 139 Cb 0.90 -2.04 0.11 0.00 -0.86 0.00 0.00 30.24 28.35 1a3s n GLN 139 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 1a3s n ASN 140 N -0.59 -1.11 0.22 2.61 2.85 -0.03 -4.98 115.26 114.24 1a3s n ASN 140 Ca 0.37 -1.66 0.14 0.00 -0.11 0.00 0.00 54.58 53.32 1a3s n ASN 140 Cb 1.24 0.99 0.77 0.00 1.24 0.00 0.00 39.78 44.02 1a3s n ASN 140 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 1a3s h ARG 141 N 2.24 0.00 -0.53 1.20 2.47 -1.74 -1.27 114.38 116.75 1a3s h ARG 141 Ca -0.32 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.33 1a3s h ARG 141 Cb 1.23 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.53 1a3s h ARG 141 CO -0.06 0.00 0.09 0.28 0.56 0.00 0.00 179.97 180.84 1a3s h VAL 142 N 0.00 1.25 -0.20 2.04 2.07 -1.95 0.14 116.25 119.60 1a3s h VAL 142 Ca 0.05 -0.95 -0.02 0.00 0.82 0.00 0.00 66.70 66.60 1a3s h VAL 142 Cb 0.25 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1a3s h VAL 142 CO -0.00 0.34 0.03 -0.33 0.02 0.00 0.00 177.57 177.63 1a3s h GLU 143 N 0.77 0.33 -0.69 1.57 4.39 -1.62 -1.05 114.58 118.27 1a3s h GLU 143 Ca 0.16 -0.09 0.14 0.00 0.34 0.00 0.00 59.36 59.91 1a3s h GLU 143 Cb 0.40 -0.04 -0.10 0.00 -0.10 0.00 0.00 28.75 28.92 1a3s h GLU 143 CO 0.01 0.48 0.19 -0.92 -1.16 0.00 0.00 179.01 177.61 1a3s h TYR 144 N 0.12 0.30 -0.64 4.33 3.20 -0.98 0.76 116.97 124.07 1a3s h TYR 144 Ca 0.06 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 1a3s h TYR 144 Cb 0.31 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.52 1a3s h TYR 144 CO 0.02 -0.03 0.33 0.93 -1.64 0.00 0.00 178.16 177.78 1a3s h GLU 145 N 0.31 0.90 0.11 1.82 4.39 -0.39 -2.00 114.58 119.72 1a3s h GLU 145 Ca 0.37 -0.12 0.01 0.00 0.34 0.00 0.00 59.36 59.97 1a3s h GLU 145 Cb 0.59 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 1a3s h GLU 145 CO -0.44 0.70 -0.15 0.87 -1.16 0.00 0.00 179.01 178.83 1a3s h LYS 146 N 0.87 -0.29 -0.94 2.33 1.57 0.39 -1.78 116.57 118.72 1a3s h LYS 146 Ca 0.22 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 59.03 1a3s h LYS 146 Cb 0.07 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.40 1a3s h LYS 146 CO -0.03 -0.20 0.61 0.00 -0.57 0.00 0.00 179.45 179.26 1a3s h ARG 147 N -0.30 1.24 -0.07 3.15 3.08 -0.89 -2.45 114.38 118.14 1a3s h ARG 147 Ca 0.02 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 1a3s h ARG 147 Cb 0.31 -0.28 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 1a3s h ARG 147 CO -0.07 0.84 0.01 0.28 -1.07 0.00 0.00 179.97 179.96 1a3s h VAL 148 N 1.28 1.21 -0.53 2.04 2.07 -1.17 -2.08 116.25 119.07 1a3s h VAL 148 Ca 0.34 -0.65 0.10 0.00 0.82 0.00 0.00 66.70 67.31 1a3s h VAL 148 Cb -0.12 1.51 -0.08 0.00 -1.52 0.00 0.00 31.29 31.07 1a3s h VAL 148 CO -0.07 0.18 0.07 0.03 0.02 0.00 0.00 177.57 177.81 1a3s h ARG 149 N -0.12 0.20 -0.44 1.57 2.47 -1.24 0.15 114.38 116.97 1a3s h ARG 149 Ca 0.02 -0.01 0.05 0.00 -1.26 0.00 0.00 59.98 58.78 1a3s h ARG 149 Cb 0.28 -0.04 -0.05 0.00 -1.65 0.00 0.00 29.97 28.51 1a3s h ARG 149 CO 0.00 0.13 0.17 0.00 0.56 0.00 0.00 179.97 180.83 1a3s h ALA 150 N 1.44 0.54 -0.79 0.04 0.00 -1.35 -1.37 119.26 117.76 1a3s h ALA 150 Ca 0.27 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 1a3s h ALA 150 Cb 0.40 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1a3s h ALA 150 CO -0.38 -0.21 0.42 0.37 0.00 0.00 0.00 179.25 179.45 1a3s h GLN 151 N 0.35 1.11 -0.21 0.00 4.15 -0.50 0.15 115.11 120.16 1a3s h GLN 151 Ca 0.20 -0.14 -0.08 0.00 0.77 0.00 0.00 58.65 59.40 1a3s h GLN 151 Cb 0.18 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.64 1a3s h GLN 151 CO -0.19 0.83 -0.24 0.00 -1.93 0.00 0.00 178.83 177.30 1a3s h ALA 152 N 1.22 1.21 0.15 3.38 0.00 -0.16 -2.81 119.26 122.26 1a3s h ALA 152 Ca 0.28 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1a3s h ALA 152 Cb 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1a3s h ALA 152 CO -0.04 0.51 -0.07 0.87 0.00 0.00 0.00 179.25 180.51 1a3s h LYS 153 N 0.34 -0.20 -1.52 0.00 1.79 -0.59 -2.71 116.57 113.68 1a3s h LYS 153 Ca 0.05 0.01 0.45 0.00 -2.18 0.00 0.00 60.65 58.99 1a3s h LYS 153 Cb 0.61 0.05 -0.08 0.00 -1.58 0.00 0.00 32.23 31.23 1a3s h LYS 153 CO 0.04 0.22 1.07 -0.22 -1.08 0.00 0.00 179.45 179.49 1a3s h LYS 154 N -0.73 0.04 -0.28 3.15 3.64 -0.57 0.00 116.57 121.81 1a3s h LYS 154 Ca -0.02 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1a3s h LYS 154 Cb 0.52 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1a3s h LYS 154 CO 0.03 0.02 0.00 1.19 -2.27 0.00 0.00 179.45 178.43 1a3s n PHE 155 N -4.19 0.45 -2.53 1.91 3.72 -1.08 -5.01 117.46 110.73 1a3s n PHE 155 Ca 0.35 -0.56 -0.38 0.00 -0.05 0.00 0.00 57.45 56.82 1a3s n PHE 155 Cb 1.57 -0.07 -0.04 0.00 -0.94 0.00 0.00 39.48 40.00 1a3s n PHE 155 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a3s s ALA 156 N -1.26 3.20 0.20 4.37 0.00 -0.02 -2.20 121.76 126.05 1a3s s ALA 156 Ca 0.23 0.76 -0.32 0.00 0.00 0.00 0.00 51.96 52.62 1a3s s ALA 156 Cb 0.14 -3.29 -0.14 0.00 0.00 0.00 0.00 23.12 19.83 1a3s s ALA 156 CO 0.13 -0.17 1.38 -2.30 0.00 0.00 0.00 175.76 174.80 1a3s n PRO 157 N 0.42 1.81 0.00 0.00 -0.02 -1.26 -4.93 135.00 131.01 1a3s n PRO 157 Ca 0.03 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1a3s n PRO 157 Cb 0.48 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 1a3s n PRO 157 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91