#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s5l s LYS 2 N 0.00 0.33 -0.31 0.00 2.20 -1.26 -5.06 119.74 115.63 1s5l s LYS 2 Ca 0.00 -0.10 0.03 0.00 -0.36 0.00 0.00 55.97 55.54 1s5l s LYS 2 Cb 0.00 0.04 0.09 0.00 -1.51 0.00 0.00 37.83 36.45 1s5l s LYS 2 CO 0.00 -0.48 0.02 -1.14 -0.36 0.00 0.00 175.35 173.39 1s5l s GLN 3 N 1.95 1.54 -0.33 4.03 2.00 -1.26 -5.09 119.66 122.50 1s5l s GLN 3 Ca 0.15 -1.59 -0.29 0.00 -2.00 0.00 0.00 55.36 51.63 1s5l s GLN 3 Cb 0.01 -2.94 0.02 0.00 0.80 0.00 0.00 33.01 30.90 1s5l s GLN 3 CO -0.13 -0.84 1.11 0.99 -0.50 0.00 0.00 175.29 175.91 1s5l s THR 4 N 1.08 4.44 -0.62 -0.34 2.01 -1.26 -4.98 115.64 115.97 1s5l s THR 4 Ca 0.05 1.65 -0.11 0.00 0.31 0.00 0.00 61.69 63.59 1s5l s THR 4 Cb -0.19 -4.40 0.16 0.00 0.01 0.00 0.00 72.50 68.08 1s5l s THR 4 CO -0.09 -0.52 0.53 -0.76 -0.69 0.00 0.00 174.62 173.09 1s5l s LEU 5 N 3.79 6.08 0.78 4.42 1.43 -1.26 -5.06 118.68 128.86 1s5l s LEU 5 Ca 0.47 -2.27 -0.15 0.00 -1.03 0.00 0.00 54.13 51.15 1s5l s LEU 5 Cb -0.12 -2.10 0.03 0.00 0.03 0.00 0.00 46.19 44.03 1s5l s LEU 5 CO 0.17 -0.65 0.96 0.41 0.23 0.00 0.00 176.35 177.48 1s5l n THR 6 N 4.48 2.14 0.27 5.49 -1.04 -1.26 -4.84 114.28 119.52 1s5l n THR 6 Ca -0.00 -0.29 0.12 0.00 -2.04 0.00 0.00 64.05 61.84 1s5l n THR 6 Cb 0.42 -1.06 0.79 0.00 -1.82 0.00 0.00 70.33 68.66 1s5l n THR 6 CO 0.00 0.00 0.00 0.22 -0.64 0.00 0.00 175.07 174.65 1s5l h TYR 7 N -0.64 0.00 -0.95 -1.42 3.20 -1.99 0.12 116.97 115.28 1s5l h TYR 7 Ca -0.46 0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.46 1s5l h TYR 7 Cb 1.32 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 39.53 1s5l h TYR 7 CO 0.42 0.00 0.61 -0.44 -1.64 0.00 0.00 178.16 177.11 1s5l h ASP 8 N 0.00 1.00 0.05 -2.11 3.32 -2.01 -2.26 116.42 114.40 1s5l h ASP 8 Ca 0.01 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 1s5l h ASP 8 Cb 0.07 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.40 1s5l h ASP 8 CO -0.00 0.66 -0.03 0.44 -1.72 0.00 0.00 179.24 178.59 1s5l h ASP 9 N 1.15 -0.06 -0.27 6.45 3.32 -1.31 -3.35 116.42 122.35 1s5l h ASP 9 Ca 0.40 -0.44 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 1s5l h ASP 9 Cb 0.10 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1s5l h ASP 9 CO -0.15 0.43 0.10 0.40 -1.72 0.00 0.00 179.24 178.29 1s5l h ILE 10 N -0.57 1.15 0.00 0.35 2.04 -1.36 -3.02 117.51 116.10 1s5l h ILE 10 Ca -0.01 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.35 1s5l h ILE 10 Cb 0.50 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1s5l h ILE 10 CO 0.01 0.19 0.02 0.52 0.00 0.00 0.00 178.15 178.88 1s5l n VAL 11 N -4.37 1.32 0.10 1.67 0.31 -0.86 -3.38 118.33 113.11 1s5l n VAL 11 Ca 0.02 0.35 -0.06 0.00 -0.01 0.00 0.00 64.34 64.63 1s5l n VAL 11 Cb 0.16 -1.35 -0.03 0.00 -0.91 0.00 0.00 33.84 31.72 1s5l n VAL 11 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1s5l h GLY 12 N 0.00 -0.35 -0.35 2.92 0.00 -1.76 -3.41 103.07 100.12 1s5l h GLY 12 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1s5l h GLY 12 CO 0.00 -0.13 0.00 2.41 0.00 0.00 0.00 176.54 178.82 1s5l n THR 13 N -5.00 0.68 -1.86 4.70 -1.04 -1.23 -5.04 114.28 105.49 1s5l n THR 13 Ca -0.05 -0.84 -0.00 0.00 -2.04 0.00 0.00 64.05 61.12 1s5l n THR 13 Cb 0.15 0.69 0.00 0.00 -1.82 0.00 0.00 70.33 69.35 1s5l n THR 13 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1s5l n GLY 14 N -0.07 -2.95 0.04 3.41 0.00 -1.22 -4.99 105.19 99.42 1s5l n GLY 14 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 1s5l n GLY 14 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s5l n LEU 15 N 0.12 0.64 -0.41 0.99 4.77 -1.26 -4.65 117.00 117.20 1s5l n LEU 15 Ca 0.00 -0.01 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 1s5l n LEU 15 Cb 0.02 0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 41.14 1s5l n LEU 15 CO 0.13 0.31 0.52 0.00 -1.33 0.00 0.00 177.39 177.01 1s5l h ALA 16 N 0.32 -0.30 -0.81 -1.18 0.00 -1.94 0.35 119.26 115.69 1s5l h ALA 16 Ca -0.23 0.17 0.19 0.00 0.00 0.00 0.00 54.91 55.05 1s5l h ALA 16 Cb 1.48 1.25 -0.05 0.00 0.00 0.00 0.00 17.79 20.47 1s5l h ALA 16 CO 0.00 -0.85 0.55 -0.91 0.00 0.00 0.00 179.25 178.04 1s5l h ASN 17 N -0.00 0.29 -3.30 0.00 4.21 -1.94 -3.38 115.58 111.45 1s5l h ASN 17 Ca 0.23 0.03 -0.59 0.00 1.21 0.00 0.00 56.30 57.17 1s5l h ASN 17 Cb 0.48 -0.03 -0.08 0.00 -1.12 0.00 0.00 38.32 37.57 1s5l h ASN 17 CO -0.96 0.13 0.41 -0.75 -1.29 0.00 0.00 177.43 174.97 1s5l s LYS 18 N -5.31 4.25 0.70 0.81 2.20 0.12 -4.65 119.74 117.86 1s5l s LYS 18 Ca -0.07 0.96 -0.15 0.00 -0.36 0.00 0.00 55.97 56.35 1s5l s LYS 18 Cb 0.22 -3.60 0.02 0.00 -1.51 0.00 0.00 37.83 32.96 1s5l s LYS 18 CO 0.77 -0.39 1.16 0.00 -0.36 0.00 0.00 175.35 176.52 1s5l n PRO 20 N -2.58 0.28 -3.78 0.00 -0.02 -1.26 -4.99 135.00 122.65 1s5l n PRO 20 Ca 0.12 0.15 -0.20 0.00 -2.02 0.00 0.00 63.50 61.55 1s5l n PRO 20 Cb 0.51 -2.13 -0.02 0.00 -0.02 0.00 0.00 33.50 31.84 1s5l n PRO 20 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1s5l s THR 21 N -1.99 4.54 -0.31 3.45 2.01 -1.26 -4.76 115.64 117.32 1s5l s THR 21 Ca 0.69 -1.08 -0.01 0.00 0.31 0.00 0.00 61.69 61.61 1s5l s THR 21 Cb -0.32 -3.57 0.13 0.00 0.01 0.00 0.00 72.50 68.75 1s5l s THR 21 CO 0.54 -0.25 0.24 -0.76 -0.69 0.00 0.00 174.62 173.70 1s5l s LEU 22 N -4.04 0.29 -0.11 4.42 1.43 -1.26 -5.10 118.68 114.30 1s5l s LEU 22 Ca 0.39 -1.35 -0.03 0.00 -1.03 0.00 0.00 54.13 52.10 1s5l s LEU 22 Cb -0.09 0.05 -0.01 0.00 0.03 0.00 0.00 46.19 46.17 1s5l s LEU 22 CO 0.29 -0.37 -0.07 -0.78 0.23 0.00 0.00 176.35 175.65 1s5l h ASP 23 N 7.87 0.00 0.00 2.29 3.58 -2.00 -3.48 116.42 124.68 1s5l h ASP 23 Ca -0.09 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.36 1s5l h ASP 23 Cb 1.03 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.08 1s5l h ASP 23 CO 0.33 0.59 -0.50 -0.67 -2.88 0.00 0.00 179.24 176.11 1s5l n ASP 24 N -4.70 1.03 -4.56 2.28 -0.08 -1.26 -4.96 116.55 104.30 1s5l n ASP 24 Ca -0.03 0.17 -0.52 0.00 -1.51 0.00 0.00 54.79 52.90 1s5l n ASP 24 Cb 0.10 -0.60 -0.07 0.00 2.34 0.00 0.00 41.12 42.90 1s5l n ASP 24 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1s5l n THR 25 N -3.53 0.29 -3.59 5.18 -1.04 -1.26 -4.90 114.28 105.43 1s5l n THR 25 Ca -0.07 -0.17 -0.33 0.00 -2.04 0.00 0.00 64.05 61.44 1s5l n THR 25 Cb 0.26 -1.56 -0.07 0.00 -1.82 0.00 0.00 70.33 67.14 1s5l n THR 25 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1s5l n ALA 26 N 8.02 3.91 -3.75 2.41 0.00 -1.26 -4.60 120.51 125.24 1s5l n ALA 26 Ca 0.34 -4.64 -0.33 0.00 0.00 0.00 0.00 53.44 48.80 1s5l n ALA 26 Cb 0.21 -1.46 -0.09 0.00 0.00 0.00 0.00 19.45 18.11 1s5l n ALA 26 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1s5l s ARG 27 N -1.76 2.81 0.00 0.00 6.06 -1.13 -4.93 118.95 120.00 1s5l s ARG 27 Ca 0.30 -3.11 0.00 0.00 -2.50 0.00 0.00 55.73 50.42 1s5l s ARG 27 Cb -0.01 -3.72 0.00 0.00 0.06 0.00 0.00 34.95 31.29 1s5l s ARG 27 CO -0.09 -1.24 0.14 0.41 -2.50 0.00 0.00 175.30 172.02 1s5l n GLY 28 N 2.51 0.00 3.68 8.12 0.00 -1.26 -3.85 105.19 114.40 1s5l n GLY 28 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1s5l n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s5l s ALA 29 N -1.77 3.69 -0.30 4.61 0.00 -1.26 -3.87 121.76 122.86 1s5l s ALA 29 Ca 0.00 1.27 -0.14 0.00 0.00 0.00 0.00 51.96 53.09 1s5l s ALA 29 Cb 0.00 -3.74 0.14 0.00 0.00 0.00 0.00 23.12 19.52 1s5l s ALA 29 CO 0.00 -1.23 0.87 -0.47 0.00 0.00 0.00 175.76 174.93 1s5l s TYR 30 N 3.03 -0.86 1.36 0.00 5.04 -1.26 -4.82 117.35 119.84 1s5l s TYR 30 Ca 0.78 1.56 -0.20 0.00 -2.44 0.00 0.00 57.07 56.77 1s5l s TYR 30 Cb -0.41 0.51 0.35 0.00 0.35 0.00 0.00 41.96 42.76 1s5l s TYR 30 CO 0.34 -0.43 0.91 -0.35 -1.34 0.00 0.00 175.55 174.69 1s5l n PRO 31 N 4.71 -3.92 -0.02 4.97 -0.04 -1.26 -4.89 135.00 134.55 1s5l n PRO 31 Ca -0.13 -1.15 0.13 0.00 -0.04 0.00 0.00 63.50 62.31 1s5l n PRO 31 Cb 0.54 -2.01 0.37 0.00 -0.04 0.00 0.00 33.50 32.36 1s5l n PRO 31 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1s5l n ILE 32 N -5.50 0.06 0.00 0.52 -5.35 -1.26 -4.15 119.36 103.68 1s5l n ILE 32 Ca 0.09 -0.36 0.00 0.00 -0.27 0.00 0.00 62.75 62.20 1s5l n ILE 32 Cb 0.57 0.77 0.00 0.00 -1.74 0.00 0.00 39.64 39.25 1s5l n ILE 32 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1s5l n ASP 33 N 0.59 0.00 0.09 7.28 8.00 -1.26 0.23 116.55 131.48 1s5l n ASP 33 Ca 0.17 0.25 -0.12 0.00 0.71 0.00 0.00 54.79 55.80 1s5l n ASP 33 Cb 0.43 -0.25 -0.08 0.00 -0.02 0.00 0.00 41.12 41.20 1s5l n ASP 33 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1s5l h SER 34 N 0.00 -0.23 -1.05 -2.24 0.02 -1.79 1.45 113.55 109.71 1s5l h SER 34 Ca 0.00 -0.28 0.30 0.00 -0.84 0.00 0.00 61.79 60.97 1s5l h SER 34 Cb 0.44 0.06 -0.05 0.00 0.14 0.00 0.00 62.40 62.98 1s5l h SER 34 CO 0.00 0.21 0.74 0.28 -1.14 0.00 0.00 176.83 176.92 1s5l h SER 35 N -0.72 0.10 0.31 3.07 0.02 0.26 0.50 113.55 117.07 1s5l h SER 35 Ca -0.03 0.02 -0.29 0.00 -0.84 0.00 0.00 61.79 60.65 1s5l h SER 35 Cb 0.50 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.06 1s5l h SER 35 CO 0.05 0.02 -1.25 1.56 -1.14 0.00 0.00 176.83 176.07 1s5l h GLN 36 N 0.09 0.50 0.00 3.45 4.20 -0.78 -3.49 115.11 119.07 1s5l h GLN 36 Ca 0.52 -0.71 0.00 0.00 0.06 0.00 0.00 58.65 58.52 1s5l h GLN 36 Cb 1.90 0.24 0.00 0.00 0.30 0.00 0.00 27.48 29.93 1s5l h GLN 36 CO -0.07 1.32 0.00 0.25 -0.67 0.00 0.00 178.83 179.66 1s5l n THR 37 N -3.71 0.00 -4.52 -0.54 -2.24 0.48 -5.07 114.28 98.68 1s5l n THR 37 Ca -0.12 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.40 1s5l n THR 37 Cb 1.00 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 69.12 1s5l n THR 37 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1s5l s TYR 38 N -0.87 2.41 -0.04 4.78 1.51 -1.26 -4.51 117.35 119.37 1s5l s TYR 38 Ca 0.00 -0.48 -0.09 0.00 -1.01 0.00 0.00 57.07 55.48 1s5l s TYR 38 Cb 0.00 -1.37 0.01 0.00 -0.11 0.00 0.00 41.96 40.49 1s5l s TYR 38 CO 0.00 0.58 0.21 -0.98 -1.11 0.00 0.00 175.55 174.25 1s5l s ARG 39 N -3.61 0.43 0.34 -0.62 3.03 -1.25 -4.30 118.95 112.97 1s5l s ARG 39 Ca 0.33 -0.04 0.03 0.00 2.03 0.00 0.00 55.73 58.07 1s5l s ARG 39 Cb 0.02 0.19 0.03 0.00 -1.03 0.00 0.00 34.95 34.16 1s5l s ARG 39 CO 0.17 -0.09 0.24 -0.89 -1.13 0.00 0.00 175.30 173.59 1s5l n ILE 40 N 2.08 0.00 -3.58 4.99 5.41 -1.26 -0.65 119.36 126.34 1s5l n ILE 40 Ca -0.18 -1.38 -0.17 0.00 1.00 0.00 0.00 62.75 62.02 1s5l n ILE 40 Cb 0.57 -0.16 -0.07 0.00 -0.71 0.00 0.00 39.64 39.27 1s5l n ILE 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1s5l s ALA 41 N -2.50 -1.53 -0.20 -1.39 0.00 0.70 -3.99 121.76 112.85 1s5l s ALA 41 Ca 0.18 1.13 -0.01 0.00 0.00 0.00 0.00 51.96 53.26 1s5l s ALA 41 Cb -0.01 -0.06 0.05 0.00 0.00 0.00 0.00 23.12 23.10 1s5l s ALA 41 CO 0.11 -0.34 -0.02 1.03 0.00 0.00 0.00 175.76 176.54 1s5l s ARG 42 N -1.11 1.21 -0.07 0.00 0.52 -1.04 0.84 118.95 119.28 1s5l s ARG 42 Ca -0.11 -0.63 0.04 0.00 -0.52 0.00 0.00 55.73 54.51 1s5l s ARG 42 Cb -0.01 -2.21 -0.02 0.00 0.52 0.00 0.00 34.95 33.23 1s5l s ARG 42 CO 0.08 -0.56 -0.19 -1.17 0.02 0.00 0.00 175.30 173.48 1s5l s LEU 43 N 1.64 2.42 0.01 2.53 2.96 -1.07 -1.81 118.68 125.37 1s5l s LEU 43 Ca -0.02 -0.38 -0.02 0.00 -0.22 0.00 0.00 54.13 53.50 1s5l s LEU 43 Cb -0.17 -1.48 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 1s5l s LEU 43 CO -0.07 0.25 0.17 0.00 -1.32 0.00 0.00 176.35 175.38 1s5l s LEU 45 N -2.04 0.77 0.02 0.00 2.96 -1.03 -1.62 118.68 117.75 1s5l s LEU 45 Ca 0.28 -0.04 -0.01 0.00 -0.22 0.00 0.00 54.13 54.14 1s5l s LEU 45 Cb -0.13 -0.32 -0.02 0.00 0.50 0.00 0.00 46.19 46.22 1s5l s LEU 45 CO 0.20 -0.16 -0.00 -1.58 -1.32 0.00 0.00 176.35 173.49 1s5l s GLN 46 N 1.59 0.40 0.44 1.98 0.74 -0.20 -4.17 119.66 120.44 1s5l s GLN 46 Ca -0.01 -0.69 0.06 0.00 0.05 0.00 0.00 55.36 54.76 1s5l s GLN 46 Cb -0.13 0.14 -0.04 0.00 1.10 0.00 0.00 33.01 34.09 1s5l s GLN 46 CO -0.03 -0.07 0.18 -1.25 -0.55 0.00 0.00 175.29 173.57 1s5l s PRO 47 N -1.92 2.21 -0.03 1.67 0.04 -1.26 0.69 135.00 136.40 1s5l s PRO 47 Ca -0.12 -1.95 0.01 0.00 0.04 0.00 0.00 61.00 58.98 1s5l s PRO 47 Cb -0.06 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.53 1s5l s PRO 47 CO -0.02 -0.22 -0.01 2.41 0.04 0.00 0.00 177.00 179.19 1s5l n THR 48 N -1.31 0.16 -3.56 1.26 -1.04 0.15 -4.61 114.28 105.34 1s5l n THR 48 Ca -0.04 -0.07 -0.12 0.00 -2.04 0.00 0.00 64.05 61.78 1s5l n THR 48 Cb 0.65 -0.71 -0.04 0.00 -1.82 0.00 0.00 70.33 68.40 1s5l n THR 48 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1s5l s THR 49 N -2.06 0.04 0.22 12.58 -4.23 -0.76 -5.02 115.64 116.40 1s5l s THR 49 Ca -0.03 -0.29 0.09 0.00 -1.18 0.00 0.00 61.69 60.28 1s5l s THR 49 Cb 0.01 -1.04 -0.04 0.00 1.34 0.00 0.00 72.50 72.77 1s5l s THR 49 CO 0.08 -0.16 -0.08 -0.36 -0.54 0.00 0.00 174.62 173.55 1s5l s PHE 50 N -3.14 2.61 -0.07 3.99 0.40 -1.26 -1.94 117.98 118.57 1s5l s PHE 50 Ca -0.01 -0.24 -0.03 0.00 -0.60 0.00 0.00 56.93 56.05 1s5l s PHE 50 Cb 0.00 -1.23 0.04 0.00 0.51 0.00 0.00 43.02 42.35 1s5l s PHE 50 CO -0.07 0.56 0.13 -0.51 0.70 0.00 0.00 175.22 176.03 1s5l s LEU 51 N -3.14 0.10 -0.25 -0.37 1.43 0.58 -3.46 118.68 113.56 1s5l s LEU 51 Ca 0.27 0.27 -0.07 0.00 -1.03 0.00 0.00 54.13 53.57 1s5l s LEU 51 Cb -0.08 0.19 -0.02 0.00 0.03 0.00 0.00 46.19 46.30 1s5l s LEU 51 CO 0.16 -0.23 0.06 -0.69 0.23 0.00 0.00 176.35 175.88 1s5l s VAL 52 N 2.10 4.20 -0.70 -1.59 1.01 -1.16 -0.50 120.40 123.77 1s5l s VAL 52 Ca 0.02 -0.23 -0.12 0.00 0.00 0.00 0.00 61.98 61.65 1s5l s VAL 52 Cb -0.12 -2.97 0.18 0.00 0.00 0.00 0.00 36.38 33.47 1s5l s VAL 52 CO -0.05 0.33 0.61 -0.54 0.00 0.00 0.00 175.10 175.45 1s5l s LYS 53 N 1.60 3.17 -0.05 2.72 1.02 -0.96 -2.67 119.74 124.56 1s5l s LYS 53 Ca 0.06 -2.25 0.04 0.00 0.02 0.00 0.00 55.97 53.83 1s5l s LYS 53 Cb -0.15 -4.22 0.00 0.00 -0.52 0.00 0.00 37.83 32.94 1s5l s LYS 53 CO 0.03 -1.26 -0.16 -2.00 -0.92 0.00 0.00 175.35 171.04 1s5l s GLU 54 N 0.53 1.81 -0.29 1.68 2.12 -1.25 -3.97 118.70 119.33 1s5l s GLU 54 Ca 0.13 -0.55 -0.18 0.00 0.36 0.00 0.00 54.97 54.73 1s5l s GLU 54 Cb -0.18 -1.53 0.18 0.00 0.26 0.00 0.00 34.13 32.87 1s5l s GLU 54 CO -0.05 0.16 1.18 -2.00 -0.54 0.00 0.00 175.26 174.02 1s5l s GLU 55 N 0.26 0.18 -0.21 4.30 2.56 -1.26 -4.96 118.70 119.57 1s5l s GLU 55 Ca -0.08 0.30 0.12 0.00 0.00 0.00 0.00 54.97 55.30 1s5l s GLU 55 Cb -0.13 0.05 0.43 0.00 2.00 0.00 0.00 34.13 36.48 1s5l s GLU 55 CO 0.03 -0.04 1.21 -0.35 -0.56 0.00 0.00 175.26 175.55 1s5l n PRO 56 N 3.02 1.88 -2.80 4.30 -0.04 -1.26 -4.86 135.00 135.23 1s5l n PRO 56 Ca -0.16 -3.39 -0.43 0.00 -0.04 0.00 0.00 63.50 59.48 1s5l n PRO 56 Cb 0.57 -1.63 0.01 0.00 -0.04 0.00 0.00 33.50 32.40 1s5l n PRO 56 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1s5l n LYS 57 N -0.91 4.02 -1.49 0.54 2.85 -1.26 -5.01 118.16 116.91 1s5l n LYS 57 Ca 0.23 -4.15 -0.47 0.00 -1.05 0.00 0.00 58.31 52.87 1s5l n LYS 57 Cb 0.78 -2.69 -0.03 0.00 -0.65 0.00 0.00 35.03 32.44 1s5l n LYS 57 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1s5l n ASN 58 N 2.62 -0.08 0.00 -5.58 3.02 -1.26 -2.95 115.26 111.02 1s5l n ASN 58 Ca 0.31 1.15 0.00 0.00 -0.03 0.00 0.00 54.58 56.01 1s5l n ASN 58 Cb 0.35 -1.09 0.00 0.00 -0.61 0.00 0.00 39.78 38.43 1s5l n ASN 58 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1s5l n LYS 59 N 0.96 0.00 -2.97 3.52 5.02 -1.26 -4.93 118.16 118.51 1s5l n LYS 59 Ca 0.15 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.18 1s5l n LYS 59 Cb 0.27 -0.99 -0.04 0.00 -0.02 0.00 0.00 35.03 34.25 1s5l n LYS 59 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1s5l n ARG 60 N -2.00 3.01 -3.76 1.97 5.12 -1.15 -5.04 116.66 114.82 1s5l n ARG 60 Ca 0.00 -4.71 -0.13 0.00 -1.93 0.00 0.00 57.85 51.08 1s5l n ARG 60 Cb 0.00 -2.18 -0.11 0.00 -1.16 0.00 0.00 32.46 29.01 1s5l n ARG 60 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1s5l s GLN 61 N -3.37 0.40 0.01 5.56 -0.21 -1.26 -4.96 119.66 115.82 1s5l s GLN 61 Ca 0.48 0.47 -0.02 0.00 0.02 0.00 0.00 55.36 56.31 1s5l s GLN 61 Cb 0.29 0.20 -0.01 0.00 1.00 0.00 0.00 33.01 34.48 1s5l s GLN 61 CO -0.13 -0.05 -0.05 0.39 -2.12 0.00 0.00 175.29 173.33 1s5l n GLU 62 N 2.88 0.07 -3.64 2.91 1.02 -1.26 -5.04 120.64 117.59 1s5l n GLU 62 Ca -0.13 0.03 -0.25 0.00 -0.02 0.00 0.00 57.16 56.79 1s5l n GLU 62 Cb 0.58 -0.44 -0.17 0.00 -0.02 0.00 0.00 31.44 31.39 1s5l n GLU 62 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1s5l s ALA 63 N -2.28 0.43 -0.55 0.62 0.00 -1.26 -5.09 121.76 113.63 1s5l s ALA 63 Ca -0.04 -0.22 0.04 0.00 0.00 0.00 0.00 51.96 51.74 1s5l s ALA 63 Cb 0.01 -0.95 0.14 0.00 0.00 0.00 0.00 23.12 22.32 1s5l s ALA 63 CO 0.06 -1.01 0.32 -1.21 0.00 0.00 0.00 175.76 173.92 1s5l s GLU 64 N 2.12 1.96 -0.20 0.00 0.41 -1.26 -5.07 118.70 116.66 1s5l s GLU 64 Ca 0.02 -2.70 0.01 0.00 -0.41 0.00 0.00 54.97 51.89 1s5l s GLU 64 Cb -0.15 -3.11 0.03 0.00 -1.78 0.00 0.00 34.13 29.11 1s5l s GLU 64 CO -0.08 -1.18 -0.16 -0.06 -0.49 0.00 0.00 175.26 173.29 1s5l s PHE 65 N -0.49 2.90 0.08 1.61 0.40 -1.26 -3.75 117.98 117.46 1s5l s PHE 65 Ca 0.20 -1.71 0.03 0.00 -0.60 0.00 0.00 56.93 54.85 1s5l s PHE 65 Cb -0.19 -1.94 -0.04 0.00 0.51 0.00 0.00 43.02 41.36 1s5l s PHE 65 CO -0.05 -0.80 0.06 0.08 0.70 0.00 0.00 175.22 175.21 1s5l s VAL 66 N 1.27 4.40 0.49 -0.44 1.01 -1.09 -4.98 120.40 121.05 1s5l s VAL 66 Ca 0.02 -0.81 -0.08 0.00 0.00 0.00 0.00 61.98 61.11 1s5l s VAL 66 Cb -0.15 -3.10 0.12 0.00 0.00 0.00 0.00 36.38 33.25 1s5l s VAL 66 CO -0.10 0.14 0.46 -0.81 0.00 0.00 0.00 175.10 174.78 1s5l n PRO 67 N 0.54 -1.71 -3.66 2.72 -0.04 -1.26 -2.99 135.00 128.59 1s5l n PRO 67 Ca -0.09 -0.72 -0.13 0.00 -0.04 0.00 0.00 63.50 62.51 1s5l n PRO 67 Cb 0.52 -0.65 -0.07 0.00 -0.04 0.00 0.00 33.50 33.26 1s5l n PRO 67 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1s5l s THR 68 N -1.85 0.05 -0.17 0.52 -4.23 -1.22 -4.63 115.64 104.10 1s5l s THR 68 Ca 0.29 -0.42 -0.04 0.00 -1.18 0.00 0.00 61.69 60.34 1s5l s THR 68 Cb -0.03 -0.92 -0.02 0.00 1.34 0.00 0.00 72.50 72.88 1s5l s THR 68 CO 0.22 -0.23 -0.03 -0.54 -0.54 0.00 0.00 174.62 173.50 1s5l s LYS 69 N -2.25 3.61 -0.21 3.99 1.02 -1.22 -4.77 119.74 119.92 1s5l s LYS 69 Ca -0.07 -0.54 -0.29 0.00 0.02 0.00 0.00 55.97 55.09 1s5l s LYS 69 Cb -0.01 -2.96 -0.02 0.00 -0.52 0.00 0.00 37.83 34.32 1s5l s LYS 69 CO -0.01 0.13 1.39 -0.51 -0.92 0.00 0.00 175.35 175.43 1s5l s LEU 70 N 0.66 4.04 -0.17 3.17 1.43 -1.26 -1.21 118.68 125.34 1s5l s LEU 70 Ca -0.02 1.58 -0.06 0.00 -1.03 0.00 0.00 54.13 54.60 1s5l s LEU 70 Cb -0.14 -3.54 -0.23 0.00 0.03 0.00 0.00 46.19 42.31 1s5l s LEU 70 CO 0.02 -0.98 0.16 0.52 0.23 0.00 0.00 176.35 176.30 1s5l n VAL 71 N 5.87 1.67 -2.79 -1.59 0.31 -1.08 -4.64 118.33 116.08 1s5l n VAL 71 Ca 0.16 -0.57 -0.43 0.00 -0.01 0.00 0.00 64.34 63.49 1s5l n VAL 71 Cb 0.45 -1.69 -0.04 0.00 -0.91 0.00 0.00 33.84 31.66 1s5l n VAL 71 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1s5l s THR 72 N -2.53 4.35 0.40 2.52 2.01 -1.22 -4.99 115.64 116.19 1s5l s THR 72 Ca -0.27 0.53 -0.22 0.00 0.31 0.00 0.00 61.69 62.04 1s5l s THR 72 Cb 0.08 -4.54 -0.11 0.00 0.01 0.00 0.00 72.50 67.94 1s5l s THR 72 CO 0.70 -1.06 0.94 0.00 -0.69 0.00 0.00 174.62 174.51 1s5l s ARG 73 N 4.05 4.30 -0.50 4.92 1.70 -1.26 -4.42 118.95 127.73 1s5l s ARG 73 Ca 0.35 1.15 -0.14 0.00 -0.47 0.00 0.00 55.73 56.62 1s5l s ARG 73 Cb -0.11 -2.32 0.02 0.00 -0.57 0.00 0.00 34.95 31.97 1s5l s ARG 73 CO 0.23 0.04 0.27 0.39 -1.08 0.00 0.00 175.30 175.14 1s5l n GLU 74 N -0.38 -0.72 0.04 3.89 -0.58 -1.26 -4.74 120.64 116.89 1s5l n GLU 74 Ca 0.06 -0.28 0.00 0.00 -0.42 0.00 0.00 57.16 56.52 1s5l n GLU 74 Cb 0.53 -0.46 0.00 0.00 -0.57 0.00 0.00 31.44 30.94 1s5l n GLU 74 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1s5l n THR 75 N -2.63 0.42 0.00 2.62 -1.04 -1.26 -4.93 114.28 107.45 1s5l n THR 75 Ca -0.05 0.14 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 1s5l n THR 75 Cb 0.23 -1.25 0.00 0.00 -1.82 0.00 0.00 70.33 67.49 1s5l n THR 75 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1s5l n THR 76 N -3.16 0.00 0.00 12.58 -1.04 -1.26 -2.94 114.28 118.46 1s5l n THR 76 Ca 0.00 0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1s5l n THR 76 Cb 0.19 -0.12 0.00 0.00 -1.82 0.00 0.00 70.33 68.59 1s5l n THR 76 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1s5l n SER 77 N -0.10 0.00 0.00 8.00 3.41 -1.26 -4.65 113.62 119.02 1s5l n SER 77 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1s5l n SER 77 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1s5l n SER 77 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1s5l n LEU 78 N -0.27 0.00 -3.20 1.04 4.77 -1.15 -4.44 117.00 113.74 1s5l n LEU 78 Ca 0.00 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1s5l n LEU 78 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1s5l n LEU 78 CO 0.00 0.00 0.05 -1.81 -1.33 0.00 0.00 177.39 174.30 1s5l s ASP 79 N 0.00 -0.96 -0.49 -1.43 1.11 -1.26 -4.72 116.67 108.92 1s5l s ASP 79 Ca 0.00 0.08 -0.01 0.00 0.18 0.00 0.00 52.55 52.81 1s5l s ASP 79 Cb 0.00 1.75 0.13 0.00 1.07 0.00 0.00 42.92 45.87 1s5l s ASP 79 CO 0.00 -0.31 0.28 -1.58 1.18 0.00 0.00 175.17 174.73 1s5l s GLN 80 N 2.74 2.12 0.51 8.23 0.74 -1.26 -2.47 119.66 130.27 1s5l s GLN 80 Ca 0.11 -2.22 0.06 0.00 0.05 0.00 0.00 55.36 53.36 1s5l s GLN 80 Cb -0.11 -3.54 0.02 0.00 1.10 0.00 0.00 33.01 30.48 1s5l s GLN 80 CO -0.26 -1.10 0.40 0.42 -0.55 0.00 0.00 175.29 174.20 1s5l s ILE 81 N 0.44 1.92 -0.03 -2.34 1.01 -0.48 -4.84 121.20 116.88 1s5l s ILE 81 Ca 0.13 -1.46 0.01 0.00 0.00 0.00 0.00 60.65 59.33 1s5l s ILE 81 Cb -0.22 -2.38 0.02 0.00 0.01 0.00 0.00 42.46 39.90 1s5l s ILE 81 CO -0.04 0.00 -0.01 -1.10 0.00 0.00 0.00 174.94 173.79 1s5l s GLN 82 N -4.24 0.38 -0.08 2.79 -0.21 -1.26 -2.58 119.66 114.47 1s5l s GLN 82 Ca 0.39 0.03 -0.22 0.00 0.02 0.00 0.00 55.36 55.57 1s5l s GLN 82 Cb -0.02 -0.52 0.05 0.00 1.00 0.00 0.00 33.01 33.52 1s5l s GLN 82 CO 0.23 -0.11 0.52 0.20 -2.12 0.00 0.00 175.29 174.02 1s5l s GLY 83 N 0.91 -0.40 -0.02 3.09 0.00 0.25 -0.26 107.32 110.89 1s5l s GLY 83 Ca -0.10 1.06 -0.12 0.00 0.00 0.00 0.00 44.72 45.56 1s5l s GLY 83 CO -0.01 0.79 0.34 -0.54 0.00 0.00 0.00 173.10 173.68 1s5l s GLU 84 N -0.83 3.79 -0.23 2.90 0.41 0.41 0.25 118.70 125.40 1s5l s GLU 84 Ca -0.09 0.26 -0.05 0.00 -0.41 0.00 0.00 54.97 54.69 1s5l s GLU 84 Cb -0.03 -3.19 -0.01 0.00 -1.78 0.00 0.00 34.13 29.12 1s5l s GLU 84 CO 0.06 0.70 -0.01 -1.17 -0.49 0.00 0.00 175.26 174.35 1s5l s LEU 85 N -1.14 3.10 0.26 1.80 2.96 0.17 -2.08 118.68 123.74 1s5l s LEU 85 Ca 0.23 -0.42 0.09 0.00 -0.22 0.00 0.00 54.13 53.81 1s5l s LEU 85 Cb -0.15 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 1s5l s LEU 85 CO 0.12 -0.05 0.01 -0.54 -1.32 0.00 0.00 176.35 174.58 1s5l s LYS 86 N 1.50 2.36 -0.15 1.98 1.02 -0.42 -3.82 119.74 122.20 1s5l s LYS 86 Ca 0.05 -1.35 -0.02 0.00 0.02 0.00 0.00 55.97 54.67 1s5l s LYS 86 Cb -0.15 -2.22 -0.02 0.00 -0.52 0.00 0.00 37.83 34.93 1s5l s LYS 86 CO -0.02 0.38 -0.09 0.08 -0.92 0.00 0.00 175.35 174.78 1s5l s VAL 87 N -2.25 3.38 0.51 3.17 1.01 -1.26 -1.75 120.40 123.22 1s5l s VAL 87 Ca 0.31 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.79 1s5l s VAL 87 Cb -0.07 -2.46 0.03 0.00 0.00 0.00 0.00 36.38 33.88 1s5l s VAL 87 CO 0.20 0.50 0.71 0.54 0.00 0.00 0.00 175.10 177.05 1s5l s ASN 88 N 0.49 5.39 0.00 3.32 2.20 -0.89 -4.96 114.94 120.49 1s5l s ASN 88 Ca -0.07 -0.16 0.00 0.00 -0.94 0.00 0.00 52.86 51.70 1s5l s ASN 88 Cb -0.15 -0.78 0.00 0.00 -2.00 0.00 0.00 41.25 38.32 1s5l s ASN 88 CO 0.04 -1.03 0.82 -0.24 -2.94 0.00 0.00 177.10 173.75 1s5l n SER 89 N -2.19 0.00 -0.29 3.54 2.88 -1.26 -1.94 113.62 114.36 1s5l n SER 89 Ca 0.08 0.34 0.08 0.00 -1.33 0.00 0.00 58.87 58.04 1s5l n SER 89 Cb 0.59 -0.34 0.15 0.00 -0.75 0.00 0.00 64.21 63.87 1s5l n SER 89 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1s5l n ASP 90 N -1.32 2.71 -0.00 -3.46 5.68 -1.26 -5.00 116.55 113.89 1s5l n ASP 90 Ca 0.00 -2.91 -0.00 0.00 -0.50 0.00 0.00 54.79 51.38 1s5l n ASP 90 Cb 0.06 -0.40 -0.00 0.00 -1.14 0.00 0.00 41.12 39.64 1s5l n ASP 90 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1s5l n GLY 91 N -1.03 0.48 3.94 6.12 0.00 -0.82 -4.80 105.19 109.09 1s5l n GLY 91 Ca 0.15 -0.14 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 1s5l n GLY 91 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s5l s SER 92 N -2.13 6.00 -0.13 1.61 1.04 -1.23 -3.94 113.70 114.93 1s5l s SER 92 Ca 0.00 -0.11 -0.04 0.00 0.48 0.00 0.00 55.95 56.28 1s5l s SER 92 Cb 0.00 -1.51 -0.03 0.00 0.10 0.00 0.00 66.02 64.58 1s5l s SER 92 CO 0.00 -0.21 0.01 -0.76 0.98 0.00 0.00 173.24 173.27 1s5l s LEU 93 N -4.02 3.61 0.07 2.42 1.43 -1.26 -2.10 118.68 118.82 1s5l s LEU 93 Ca 0.38 0.09 0.09 0.00 -1.03 0.00 0.00 54.13 53.65 1s5l s LEU 93 Cb -0.09 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 1s5l s LEU 93 CO 0.29 0.29 -0.23 -0.89 0.23 0.00 0.00 176.35 176.04 1s5l s THR 94 N -0.33 1.87 0.02 5.49 2.01 -0.72 -1.73 115.64 122.26 1s5l s THR 94 Ca 0.07 -1.42 0.06 0.00 0.31 0.00 0.00 61.69 60.71 1s5l s THR 94 Cb -0.12 -1.64 -0.03 0.00 0.01 0.00 0.00 72.50 70.71 1s5l s THR 94 CO 0.02 0.15 -0.16 0.12 -0.69 0.00 0.00 174.62 174.06 1s5l s PHE 95 N -0.94 2.62 -0.15 4.92 5.36 -1.09 -1.31 117.98 127.39 1s5l s PHE 95 Ca 0.09 -0.22 -0.06 0.00 -0.96 0.00 0.00 56.93 55.79 1s5l s PHE 95 Cb -0.10 -1.50 0.07 0.00 -0.34 0.00 0.00 43.02 41.15 1s5l s PHE 95 CO 0.03 0.25 0.32 0.08 -1.46 0.00 0.00 175.22 174.44 1s5l s VAL 96 N -0.90 -0.44 0.53 3.12 1.01 -0.88 -2.65 120.40 120.19 1s5l s VAL 96 Ca 0.15 0.23 -0.01 0.00 0.00 0.00 0.00 61.98 62.34 1s5l s VAL 96 Cb -0.11 -0.51 0.02 0.00 0.00 0.00 0.00 36.38 35.78 1s5l s VAL 96 CO 0.05 0.10 0.78 -1.83 0.00 0.00 0.00 175.10 174.19 1s5l s GLU 97 N 2.35 2.76 0.05 2.72 -1.05 -1.26 -0.45 118.70 123.82 1s5l s GLU 97 Ca -0.01 -0.50 -0.03 0.00 -0.15 0.00 0.00 54.97 54.28 1s5l s GLU 97 Cb -0.12 -2.45 -0.01 0.00 -0.44 0.00 0.00 34.13 31.11 1s5l s GLU 97 CO -0.10 -0.60 -0.05 0.39 0.95 0.00 0.00 175.26 175.85 1s5l n GLU 98 N -2.34 0.08 -0.09 -4.83 1.02 0.64 -4.90 120.64 110.23 1s5l n GLU 98 Ca 0.05 0.03 -0.14 0.00 -0.02 0.00 0.00 57.16 57.08 1s5l n GLU 98 Cb 0.59 -0.61 -0.04 0.00 -0.02 0.00 0.00 31.44 31.36 1s5l n GLU 98 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1s5l h ASP 99 N -0.16 0.96 -0.27 1.62 3.32 -1.93 -3.49 116.42 116.48 1s5l h ASP 99 Ca 0.00 -0.52 -0.05 0.00 0.02 0.00 0.00 57.03 56.48 1s5l h ASP 99 Cb 0.16 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1s5l h ASP 99 CO 0.00 1.29 -0.06 0.61 -1.72 0.00 0.00 179.24 179.36 1s5l n GLY 100 N 0.31 0.41 2.39 2.75 0.00 -1.26 -5.02 105.19 104.77 1s5l n GLY 100 Ca -0.04 -0.86 -0.29 0.00 0.00 0.00 0.00 46.02 44.83 1s5l n GLY 100 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1s5l n ILE 101 N -3.50 0.00 -3.48 -0.61 2.08 -1.26 -4.37 119.36 108.22 1s5l n ILE 101 Ca -0.03 -0.39 -0.13 0.00 0.56 0.00 0.00 62.75 62.76 1s5l n ILE 101 Cb 0.32 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 39.18 1s5l n ILE 101 CO 0.00 0.00 0.00 1.51 0.56 0.00 0.00 176.55 178.62 1s5l s ASP 102 N -0.78 -0.53 0.19 4.38 -4.77 -1.26 -4.22 116.67 109.68 1s5l s ASP 102 Ca 0.35 0.23 -0.02 0.00 -3.30 0.00 0.00 52.55 49.81 1s5l s ASP 102 Cb -0.22 0.51 -0.04 0.00 -1.09 0.00 0.00 42.92 42.09 1s5l s ASP 102 CO 0.60 -0.75 0.14 -0.36 0.70 0.00 0.00 175.17 175.51 1s5l s PHE 103 N -2.71 1.03 -0.46 2.11 0.40 -0.78 -4.97 117.98 112.60 1s5l s PHE 103 Ca -0.02 -1.29 0.03 0.00 -0.60 0.00 0.00 56.93 55.05 1s5l s PHE 103 Cb -0.01 -0.48 0.14 0.00 0.51 0.00 0.00 43.02 43.17 1s5l s PHE 103 CO -0.05 -0.64 0.25 -0.65 0.70 0.00 0.00 175.22 174.83 1s5l s GLN 104 N -4.12 1.43 0.12 0.44 1.11 -1.26 -0.04 119.66 117.34 1s5l s GLN 104 Ca 0.34 -2.14 0.01 0.00 0.01 0.00 0.00 55.36 53.58 1s5l s GLN 104 Cb 0.07 -2.53 -0.04 0.00 -1.01 0.00 0.00 33.01 29.49 1s5l s GLN 104 CO 0.09 -1.15 0.28 -1.25 0.01 0.00 0.00 175.29 173.27 1s5l s PRO 105 N 0.20 3.46 0.08 2.91 0.04 -1.14 -4.94 135.00 135.61 1s5l s PRO 105 Ca 0.18 -0.47 0.10 0.00 0.04 0.00 0.00 61.00 60.84 1s5l s PRO 105 Cb -0.24 -2.97 -0.03 0.00 0.04 0.00 0.00 34.50 31.30 1s5l s PRO 105 CO -0.00 0.53 -0.26 0.08 0.04 0.00 0.00 177.00 177.39 1s5l s VAL 106 N -1.67 2.11 0.00 -0.36 1.01 -1.26 -1.71 120.40 118.52 1s5l s VAL 106 Ca 0.36 -1.52 0.02 0.00 0.00 0.00 0.00 61.98 60.83 1s5l s VAL 106 Cb -0.12 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.41 1s5l s VAL 106 CO 0.28 0.22 -0.06 0.42 0.00 0.00 0.00 175.10 175.96 1s5l s THR 107 N -0.92 0.50 -0.28 3.92 -4.23 -0.02 -2.64 115.64 111.96 1s5l s THR 107 Ca 0.12 -0.38 -0.12 0.00 -1.18 0.00 0.00 61.69 60.13 1s5l s THR 107 Cb -0.10 -0.44 -0.04 0.00 1.34 0.00 0.00 72.50 73.25 1s5l s THR 107 CO 0.04 0.07 0.24 -0.69 -0.54 0.00 0.00 174.62 173.73 1s5l s VAL 108 N -0.31 5.27 -0.14 2.29 1.01 -0.35 -0.10 120.40 128.08 1s5l s VAL 108 Ca 0.01 0.24 -0.29 0.00 0.00 0.00 0.00 61.98 61.94 1s5l s VAL 108 Cb -0.03 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 1s5l s VAL 108 CO -0.00 0.21 0.98 -1.58 0.00 0.00 0.00 175.10 174.71 1s5l s GLN 109 N 1.84 4.37 0.08 2.72 0.74 -1.14 -3.39 119.66 124.87 1s5l s GLN 109 Ca 0.09 1.32 -0.16 0.00 0.05 0.00 0.00 55.36 56.66 1s5l s GLN 109 Cb -0.16 -3.57 -0.04 0.00 1.10 0.00 0.00 33.01 30.34 1s5l s GLN 109 CO 0.11 -0.38 1.28 0.00 -0.55 0.00 0.00 175.29 175.74 1s5l h MET 110 N 7.21 -0.03 -0.96 1.67 -0.00 -1.91 0.58 114.93 121.49 1s5l h MET 110 Ca -0.28 0.00 0.17 0.00 -0.00 0.00 0.00 59.70 59.59 1s5l h MET 110 Cb 1.13 0.01 -0.17 0.00 -0.00 0.00 0.00 31.60 32.56 1s5l h MET 110 CO 0.88 -0.02 -0.32 0.00 -0.00 0.00 0.00 176.91 177.45 1s5l h ALA 111 N -0.29 0.36 -0.00 -3.00 0.00 -1.97 -3.10 119.26 111.26 1s5l h ALA 111 Ca 0.08 0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1s5l h ALA 111 Cb 0.22 0.88 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1s5l h ALA 111 CO -0.46 -0.52 -0.00 0.41 0.00 0.00 0.00 179.25 178.68 1s5l n GLY 112 N -1.53 -1.17 3.82 0.00 0.00 -1.17 -4.92 105.19 100.22 1s5l n GLY 112 Ca 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1s5l n GLY 112 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s5l n GLY 113 N 0.16 3.00 3.43 -0.02 0.00 0.18 -4.89 105.19 107.06 1s5l n GLY 113 Ca 0.01 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.57 1s5l n GLY 113 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1s5l n GLU 114 N -2.00 0.16 -2.46 1.61 2.13 -1.25 -4.44 120.64 114.40 1s5l n GLU 114 Ca 0.00 0.02 -0.41 0.00 0.66 0.00 0.00 57.16 57.43 1s5l n GLU 114 Cb 0.00 -1.73 -0.04 0.00 0.27 0.00 0.00 31.44 29.94 1s5l n GLU 114 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1s5l s ARG 115 N 7.95 4.53 -0.21 5.31 0.52 -1.26 -2.89 118.95 132.89 1s5l s ARG 115 Ca 1.27 1.77 0.00 0.00 -0.52 0.00 0.00 55.73 58.25 1s5l s ARG 115 Cb -1.20 -3.29 0.05 0.00 0.52 0.00 0.00 34.95 31.03 1s5l s ARG 115 CO 0.52 -0.05 -0.06 0.42 0.02 0.00 0.00 175.30 176.15 1s5l s ILE 116 N 0.12 1.42 -0.25 1.52 1.01 0.85 -4.94 121.20 120.93 1s5l s ILE 116 Ca 0.52 -1.03 -0.14 0.00 0.00 0.00 0.00 60.65 60.00 1s5l s ILE 116 Cb -0.30 -1.64 -0.04 0.00 0.01 0.00 0.00 42.46 40.48 1s5l s ILE 116 CO 0.34 -0.01 0.32 -2.84 0.00 0.00 0.00 174.94 172.75 1s5l s PRO 117 N 1.46 4.05 0.10 2.79 0.02 -1.26 -0.84 135.00 141.32 1s5l s PRO 117 Ca -0.03 -0.02 0.06 0.00 0.02 0.00 0.00 61.00 61.03 1s5l s PRO 117 Cb -0.18 -3.61 -0.04 0.00 0.02 0.00 0.00 34.50 30.69 1s5l s PRO 117 CO -0.07 -0.16 -0.07 -0.51 -0.33 0.00 0.00 177.00 175.86 1s5l s LEU 118 N 1.71 3.17 -0.34 -5.54 1.43 -0.69 -2.38 118.68 116.04 1s5l s LEU 118 Ca 0.14 -0.33 -0.14 0.00 -1.03 0.00 0.00 54.13 52.77 1s5l s LEU 118 Cb -0.15 -1.95 -0.02 0.00 0.03 0.00 0.00 46.19 44.11 1s5l s LEU 118 CO 0.09 0.18 0.30 -0.22 0.23 0.00 0.00 176.35 176.92 1s5l s LEU 119 N -2.25 4.47 -0.55 1.79 2.96 -1.26 -2.88 118.68 120.95 1s5l s LEU 119 Ca 0.23 -0.31 -0.28 0.00 -0.22 0.00 0.00 54.13 53.54 1s5l s LEU 119 Cb -0.11 -2.24 0.02 0.00 0.50 0.00 0.00 46.19 44.36 1s5l s LEU 119 CO 0.15 -0.28 1.37 0.12 -1.32 0.00 0.00 176.35 176.40 1s5l s PHE 120 N 1.87 2.36 0.14 5.38 5.36 0.94 -4.90 117.98 129.12 1s5l s PHE 120 Ca 0.09 0.49 0.05 0.00 -0.96 0.00 0.00 56.93 56.59 1s5l s PHE 120 Cb -0.17 -4.41 -0.04 0.00 -0.34 0.00 0.00 43.02 38.07 1s5l s PHE 120 CO 0.11 -1.90 0.10 -0.08 -1.46 0.00 0.00 175.22 171.99 1s5l s THR 121 N 5.78 4.41 0.00 0.12 -1.32 -1.26 -1.87 115.64 121.50 1s5l s THR 121 Ca 0.52 -1.02 0.00 0.00 -1.21 0.00 0.00 61.69 59.98 1s5l s THR 121 Cb -0.10 -3.21 0.00 0.00 -1.51 0.00 0.00 72.50 67.68 1s5l s THR 121 CO 0.26 -0.03 0.00 0.52 -2.21 0.00 0.00 174.62 173.16 1s5l n VAL 122 N -0.06 0.00 -1.68 5.08 0.31 -1.26 -4.99 118.33 115.73 1s5l n VAL 122 Ca -0.09 0.00 -0.44 0.00 -0.01 0.00 0.00 64.34 63.80 1s5l n VAL 122 Cb 0.54 0.73 -0.02 0.00 -0.91 0.00 0.00 33.84 34.18 1s5l n VAL 122 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1s5l n LYS 123 N 0.00 2.10 -1.07 5.55 5.02 -1.26 -2.44 118.16 126.06 1s5l n LYS 123 Ca 0.00 0.75 -0.02 0.00 -2.02 0.00 0.00 58.31 57.01 1s5l n LYS 123 Cb 0.13 -2.40 -0.01 0.00 -0.02 0.00 0.00 35.03 32.73 1s5l n LYS 123 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1s5l n ASN 124 N 1.92 -4.43 -4.30 4.39 3.02 -1.26 -2.82 115.26 111.78 1s5l n ASN 124 Ca 0.10 0.06 -0.38 0.00 -0.03 0.00 0.00 54.58 54.33 1s5l n ASN 124 Cb 0.33 -2.14 0.03 0.00 -0.61 0.00 0.00 39.78 37.39 1s5l n ASN 124 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1s5l n LEU 125 N -0.27 -2.24 -3.75 3.41 7.94 -1.02 -4.87 117.00 116.19 1s5l n LEU 125 Ca -0.02 0.58 -0.15 0.00 -1.11 0.00 0.00 56.01 55.30 1s5l n LEU 125 Cb 0.27 -0.98 -0.16 0.00 0.53 0.00 0.00 43.42 43.08 1s5l n LEU 125 CO 0.04 -4.31 -0.32 0.54 -1.11 0.00 0.00 177.39 172.24 1s5l s VAL 126 N -1.94 -0.07 0.26 1.96 0.11 -1.20 -4.23 120.40 115.30 1s5l s VAL 126 Ca 0.58 0.23 0.10 0.00 -2.93 0.00 0.00 61.98 59.96 1s5l s VAL 126 Cb -0.40 -0.13 -0.05 0.00 -1.53 0.00 0.00 36.38 34.26 1s5l s VAL 126 CO 0.65 0.09 -0.15 0.00 -3.33 0.00 0.00 175.10 172.36 1s5l s ALA 127 N 1.22 2.48 0.00 1.54 0.00 -1.08 -2.42 121.76 123.51 1s5l s ALA 127 Ca -0.08 -1.83 -0.14 0.00 0.00 0.00 0.00 51.96 49.91 1s5l s ALA 127 Cb -0.13 -0.13 0.02 0.00 0.00 0.00 0.00 23.12 22.89 1s5l s ALA 127 CO -0.04 0.15 0.31 -1.54 0.00 0.00 0.00 175.76 174.64 1s5l s SER 128 N -3.45 -0.17 0.09 0.00 1.04 -0.10 -2.68 113.70 108.44 1s5l s SER 128 Ca 0.28 0.00 0.06 0.00 0.48 0.00 0.00 55.95 56.77 1s5l s SER 128 Cb -0.02 0.32 -0.03 0.00 0.10 0.00 0.00 66.02 66.39 1s5l s SER 128 CO 0.12 -0.50 -0.16 -0.89 0.98 0.00 0.00 173.24 172.79 1s5l s THR 129 N -1.69 1.34 0.00 2.02 2.01 -0.70 -1.01 115.64 117.61 1s5l s THR 129 Ca -0.11 -1.47 0.00 0.00 0.31 0.00 0.00 61.69 60.42 1s5l s THR 129 Cb -0.04 -1.32 0.00 0.00 0.01 0.00 0.00 72.50 71.15 1s5l s THR 129 CO 0.02 -0.22 0.00 0.00 -0.69 0.00 0.00 174.62 173.73 1s5l n GLN 130 N 1.05 1.86 0.00 4.92 6.02 -1.26 -4.13 117.38 125.84 1s5l n GLN 130 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.80 1s5l n GLN 130 Cb 0.55 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.81 1s5l n GLN 130 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1s5l n PRO 131 N 0.00 0.00 -4.08 -1.09 -0.04 -1.26 -4.33 135.00 124.20 1s5l n PRO 131 Ca 0.00 0.17 -0.25 0.00 -0.04 0.00 0.00 63.50 63.39 1s5l n PRO 131 Cb 0.00 -0.40 -0.05 0.00 -0.04 0.00 0.00 33.50 33.00 1s5l n PRO 131 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1s5l n ASN 132 N -0.54 2.61 -0.09 3.54 5.03 -1.25 -3.49 115.26 121.07 1s5l n ASN 132 Ca 0.00 -2.77 0.11 0.00 0.87 0.00 0.00 54.58 52.79 1s5l n ASN 132 Cb 0.00 0.43 0.01 0.00 -1.02 0.00 0.00 39.78 39.20 1s5l n ASN 132 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 1s5l n VAL 133 N -0.94 0.00 0.26 2.41 0.31 -1.25 -4.37 118.33 114.74 1s5l n VAL 133 Ca -0.14 -0.05 0.12 0.00 -0.01 0.00 0.00 64.34 64.26 1s5l n VAL 133 Cb 0.51 0.83 0.68 0.00 -0.91 0.00 0.00 33.84 34.95 1s5l n VAL 133 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1s5l h THR 134 N 0.46 0.62 -3.84 2.52 2.02 -1.93 -3.42 112.91 109.33 1s5l h THR 134 Ca 0.00 -0.60 -0.29 0.00 0.77 0.00 0.00 66.41 66.29 1s5l h THR 134 Cb 0.54 1.38 -0.18 0.00 -1.74 0.00 0.00 68.15 68.15 1s5l h THR 134 CO 0.00 0.14 -0.73 -0.94 0.37 0.00 0.00 175.52 174.36 1s5l s SER 135 N -6.23 1.20 0.01 4.18 1.04 -1.26 -5.02 113.70 107.62 1s5l s SER 135 Ca -0.03 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 55.65 1s5l s SER 135 Cb 0.13 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.28 1s5l s SER 135 CO 0.60 -0.28 0.00 -0.38 0.98 0.00 0.00 173.24 174.16 1s5l n ILE 136 N 0.77 0.02 -0.13 -1.02 -0.00 -1.26 -4.89 119.36 112.85 1s5l n ILE 136 Ca -0.18 0.01 -0.12 0.00 -0.00 0.00 0.00 62.75 62.46 1s5l n ILE 136 Cb 0.57 -0.35 -0.02 0.00 -0.00 0.00 0.00 39.64 39.84 1s5l n ILE 136 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1s5l h THR 137 N 0.00 1.28 -0.16 1.39 1.03 -1.93 -3.18 112.91 111.35 1s5l h THR 137 Ca 0.00 -1.40 0.02 0.00 -0.01 0.00 0.00 66.41 65.02 1s5l h THR 137 Cb 0.00 1.29 -0.02 0.00 -1.07 0.00 0.00 68.15 68.35 1s5l h THR 137 CO 0.00 0.47 -0.13 0.74 -0.01 0.00 0.00 175.52 176.59 1s5l h THR 138 N 0.70 0.00 -3.44 0.00 2.02 -1.91 -3.29 112.91 106.99 1s5l h THR 138 Ca 0.08 0.00 -0.70 0.00 0.77 0.00 0.00 66.41 66.56 1s5l h THR 138 Cb 0.82 0.00 -0.33 0.00 -1.74 0.00 0.00 68.15 66.90 1s5l h THR 138 CO 0.07 0.00 -0.51 -0.55 0.37 0.00 0.00 175.52 174.90 1s5l s SER 139 N -3.39 5.38 -0.18 4.18 0.15 -1.23 -5.07 113.70 113.54 1s5l s SER 139 Ca -0.03 -1.95 -0.16 0.00 0.70 0.00 0.00 55.95 54.52 1s5l s SER 139 Cb 0.02 -1.88 -0.04 0.00 -1.71 0.00 0.00 66.02 62.41 1s5l s SER 139 CO 0.14 -0.58 0.38 0.42 1.20 0.00 0.00 173.24 174.80 1s5l s THR 140 N 1.22 5.23 -0.08 6.45 -4.23 -1.20 -4.58 115.64 118.44 1s5l s THR 140 Ca 0.07 0.70 -0.18 0.00 -1.18 0.00 0.00 61.69 61.10 1s5l s THR 140 Cb -0.24 -3.72 0.04 0.00 1.34 0.00 0.00 72.50 69.93 1s5l s THR 140 CO -0.03 0.30 0.44 -1.81 -0.54 0.00 0.00 174.62 172.97 1s5l s ASP 141 N 0.84 -0.39 -0.30 3.99 1.01 -1.26 -4.50 116.67 116.06 1s5l s ASP 141 Ca 0.19 0.52 -0.17 0.00 0.71 0.00 0.00 52.55 53.80 1s5l s ASP 141 Cb -0.14 0.59 0.18 0.00 1.01 0.00 0.00 42.92 44.55 1s5l s ASP 141 CO 0.07 -0.37 1.16 -0.36 0.21 0.00 0.00 175.17 175.88 1s5l s PHE 142 N -0.72 -0.30 -0.11 4.23 2.99 -1.11 -4.51 117.98 118.45 1s5l s PHE 142 Ca -0.08 0.43 -0.14 0.00 0.00 0.00 0.00 56.93 57.14 1s5l s PHE 142 Cb -0.03 0.15 0.03 0.00 0.00 0.00 0.00 43.02 43.17 1s5l s PHE 142 CO 0.04 -0.16 0.37 0.15 -0.00 0.00 0.00 175.22 175.62 1s5l s LYS 143 N 2.52 0.52 0.00 0.44 1.02 -0.18 0.15 119.74 124.21 1s5l s LYS 143 Ca -0.02 0.33 0.00 0.00 0.02 0.00 0.00 55.97 56.30 1s5l s LYS 143 Cb -0.05 0.25 0.00 0.00 -0.52 0.00 0.00 37.83 37.50 1s5l s LYS 143 CO -0.13 -0.10 0.00 0.41 -0.92 0.00 0.00 175.35 174.61 1s5l n GLY 144 N 2.40 2.46 3.25 -3.33 0.00 -1.05 -0.92 105.19 108.01 1s5l n GLY 144 Ca -0.15 -0.47 -0.14 0.00 0.00 0.00 0.00 46.02 45.25 1s5l n GLY 144 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s5l s GLU 145 N 1.74 1.12 0.49 1.61 2.02 -1.01 -3.23 118.70 121.43 1s5l s GLU 145 Ca 0.00 -1.53 0.06 0.00 0.02 0.00 0.00 54.97 53.52 1s5l s GLU 145 Cb 0.00 -0.37 -0.00 0.00 0.10 0.00 0.00 34.13 33.86 1s5l s GLU 145 CO 0.00 -0.09 0.29 -0.06 0.02 0.00 0.00 175.26 175.42 1s5l s PHE 146 N -3.57 2.07 -0.05 1.61 2.99 -0.99 -3.20 117.98 116.84 1s5l s PHE 146 Ca 0.23 -0.74 -0.01 0.00 0.00 0.00 0.00 56.93 56.40 1s5l s PHE 146 Cb 0.05 -1.92 0.03 0.00 0.00 0.00 0.00 43.02 41.18 1s5l s PHE 146 CO 0.04 -0.16 0.03 1.21 -0.00 0.00 0.00 175.22 176.33 1s5l s ASN 147 N -4.11 1.15 -0.23 1.36 3.04 -1.13 -2.80 114.94 112.23 1s5l s ASN 147 Ca 0.34 -0.00 0.02 0.00 0.04 0.00 0.00 52.86 53.26 1s5l s ASN 147 Cb -0.00 -0.26 0.05 0.00 -1.54 0.00 0.00 41.25 39.50 1s5l s ASN 147 CO 0.20 -0.20 -0.10 -0.69 -3.04 0.00 0.00 177.10 173.27 1s5l s VAL 148 N 1.86 1.86 0.00 -5.21 1.01 -0.56 -4.52 120.40 114.84 1s5l s VAL 148 Ca 0.02 -1.32 0.00 0.00 0.00 0.00 0.00 61.98 60.68 1s5l s VAL 148 Cb -0.12 -1.98 0.00 0.00 0.00 0.00 0.00 36.38 34.28 1s5l s VAL 148 CO -0.04 0.04 0.00 -2.65 0.00 0.00 0.00 175.10 172.45 1s5l n PRO 149 N 4.57 3.67 -4.77 2.72 -0.02 -1.26 0.14 135.00 140.05 1s5l n PRO 149 Ca -0.14 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.10 1s5l n PRO 149 Cb 0.44 0.00 -0.15 0.00 -0.02 0.00 0.00 33.50 33.77 1s5l n PRO 149 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1s5l s SER 150 N -1.30 1.94 0.35 2.55 0.15 -1.22 -4.57 113.70 111.61 1s5l s SER 150 Ca 0.00 -0.30 0.17 0.00 0.70 0.00 0.00 55.95 56.52 1s5l s SER 150 Cb 0.00 -0.30 1.21 0.00 -1.71 0.00 0.00 66.02 65.22 1s5l s SER 150 CO 0.00 0.19 1.62 0.22 1.20 0.00 0.00 173.24 176.46 1s5l h TYR 151 N 5.87 0.83 -2.95 3.44 3.20 -1.93 -3.39 116.97 122.04 1s5l h TYR 151 Ca -0.35 0.04 -0.61 0.00 3.14 0.00 0.00 58.73 60.95 1s5l h TYR 151 Cb 1.16 -0.20 -0.11 0.00 1.54 0.00 0.00 36.73 39.12 1s5l h TYR 151 CO 0.41 -0.34 -0.65 1.03 -1.64 0.00 0.00 178.16 176.97 1s5l s ARG 152 N -5.61 2.50 0.28 1.82 1.81 -1.26 -5.09 118.95 113.41 1s5l s ARG 152 Ca -0.10 -1.02 0.08 0.00 -1.72 0.00 0.00 55.73 52.97 1s5l s ARG 152 Cb 0.32 -2.43 -0.04 0.00 -0.45 0.00 0.00 34.95 32.35 1s5l s ARG 152 CO 0.78 0.48 0.17 0.99 -0.68 0.00 0.00 175.30 177.04 1s5l s THR 153 N -1.64 3.91 0.36 0.02 2.01 -1.26 -4.99 115.64 114.04 1s5l s THR 153 Ca 0.27 -1.54 0.18 0.00 0.31 0.00 0.00 61.69 60.92 1s5l s THR 153 Cb -0.10 -3.20 0.34 0.00 0.01 0.00 0.00 72.50 69.56 1s5l s THR 153 CO 0.19 -0.30 1.62 0.00 -0.69 0.00 0.00 174.62 175.44 1s5l h ALA 154 N 1.54 2.09 0.00 7.40 0.00 -1.98 0.40 119.26 128.71 1s5l h ALA 154 Ca -0.46 0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1s5l h ALA 154 Cb 1.25 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1s5l h ALA 154 CO 0.60 -0.80 0.00 0.09 0.00 0.00 0.00 179.25 179.15 1s5l n ASN 155 N -5.15 0.66 -4.69 0.00 3.02 -1.26 -3.91 115.26 103.94 1s5l n ASN 155 Ca 0.35 0.64 -0.42 0.00 -0.03 0.00 0.00 54.58 55.12 1s5l n ASN 155 Cb 1.16 -0.79 -0.03 0.00 -0.61 0.00 0.00 39.78 39.51 1s5l n ASN 155 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1s5l n PHE 156 N -2.20 2.63 -3.97 3.10 7.35 0.14 -4.95 117.46 119.56 1s5l n PHE 156 Ca 0.03 -0.19 -0.35 0.00 -0.76 0.00 0.00 57.45 56.18 1s5l n PHE 156 Cb 0.28 -2.75 -0.13 0.00 0.35 0.00 0.00 39.48 37.23 1s5l n PHE 156 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1s5l s LEU 157 N 2.95 3.22 0.75 -2.13 1.43 -1.26 -4.61 118.68 119.03 1s5l s LEU 157 Ca 0.83 -0.24 -0.07 0.00 -1.03 0.00 0.00 54.13 53.61 1s5l s LEU 157 Cb -0.47 -1.83 0.10 0.00 0.03 0.00 0.00 46.19 44.03 1s5l s LEU 157 CO 0.37 0.02 1.07 1.51 0.23 0.00 0.00 176.35 179.56 1s5l s ASP 158 N 1.23 4.41 0.41 2.29 -4.77 -1.26 -4.80 116.67 114.18 1s5l s ASP 158 Ca 0.03 0.26 0.37 0.00 -3.30 0.00 0.00 52.55 49.91 1s5l s ASP 158 Cb -0.15 -0.75 1.30 0.00 -1.09 0.00 0.00 42.92 42.23 1s5l s ASP 158 CO 0.01 -1.86 1.19 -2.65 0.70 0.00 0.00 175.17 172.56 1s5l n PRO 159 N -3.06 -0.00 -0.10 2.11 -0.02 -1.26 0.21 135.00 132.88 1s5l n PRO 159 Ca 0.11 0.84 0.04 0.00 -2.02 0.00 0.00 63.50 62.47 1s5l n PRO 159 Cb 0.60 -1.90 0.09 0.00 -0.02 0.00 0.00 33.50 32.27 1s5l n PRO 159 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1s5l n LYS 160 N -3.56 2.58 -2.79 -0.52 4.76 -1.26 -5.05 118.16 112.32 1s5l n LYS 160 Ca 0.34 -1.99 -0.02 0.00 -2.87 0.00 0.00 58.31 53.77 1s5l n LYS 160 Cb 1.50 -1.25 0.00 0.00 -1.84 0.00 0.00 35.03 33.44 1s5l n LYS 160 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1s5l n GLY 161 N -0.51 -3.50 3.13 0.72 0.00 0.56 -4.64 105.19 100.96 1s5l n GLY 161 Ca 0.08 0.55 0.05 0.00 0.00 0.00 0.00 46.02 46.69 1s5l n GLY 161 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1s5l s ARG 162 N -1.73 0.31 0.00 1.61 1.70 -1.26 0.25 118.95 119.84 1s5l s ARG 162 Ca 0.04 0.25 0.00 0.00 -0.47 0.00 0.00 55.73 55.55 1s5l s ARG 162 Cb -0.01 0.12 0.00 0.00 -0.57 0.00 0.00 34.95 34.49 1s5l s ARG 162 CO 0.72 -0.56 0.00 0.41 -1.08 0.00 0.00 175.30 174.79 1s5l n GLY 163 N 5.10 4.75 3.61 3.88 0.00 0.39 -4.71 105.19 118.21 1s5l n GLY 163 Ca 0.08 -1.30 -0.41 0.00 0.00 0.00 0.00 46.02 44.39 1s5l n GLY 163 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s5l s LEU 164 N 0.00 4.10 0.00 0.99 1.43 -1.25 -3.84 118.68 120.11 1s5l s LEU 164 Ca 0.00 0.62 0.00 0.00 -1.03 0.00 0.00 54.13 53.72 1s5l s LEU 164 Cb 0.00 -2.95 0.00 0.00 0.03 0.00 0.00 46.19 43.27 1s5l s LEU 164 CO 0.00 -0.51 0.00 0.00 0.23 0.00 0.00 176.35 176.07 1s5l n ALA 165 N 5.98 0.00 -3.59 4.21 0.00 -1.26 -4.14 120.51 121.71 1s5l n ALA 165 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.41 1s5l n ALA 165 Cb 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.92 1s5l n ALA 165 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1s5l s SER 166 N -2.61 -0.19 0.00 0.00 0.01 -1.25 -4.98 113.70 104.68 1s5l s SER 166 Ca 0.00 -0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.21 1s5l s SER 166 Cb 0.00 0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.46 1s5l s SER 166 CO 0.00 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 173.87 1s5l n GLY 167 N -0.21 1.49 3.36 3.44 0.00 -1.26 -0.46 105.19 111.55 1s5l n GLY 167 Ca -0.04 -1.73 -0.29 0.00 0.00 0.00 0.00 46.02 43.97 1s5l n GLY 167 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1s5l n TYR 168 N 1.47 -2.10 0.60 1.61 4.02 0.70 -4.26 117.16 119.20 1s5l n TYR 168 Ca 0.00 -0.32 0.06 0.00 -0.01 0.00 0.00 57.90 57.63 1s5l n TYR 168 Cb 0.00 -1.56 -0.05 0.00 -0.02 0.00 0.00 39.34 37.71 1s5l n TYR 168 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 1s5l n ASP 169 N -4.78 0.91 -1.97 7.72 -0.08 -1.26 -3.94 116.55 113.15 1s5l n ASP 169 Ca 0.05 -0.95 -0.08 0.00 -1.51 0.00 0.00 54.79 52.29 1s5l n ASP 169 Cb 0.56 0.81 -0.03 0.00 2.34 0.00 0.00 41.12 44.80 1s5l n ASP 169 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1s5l n SER 170 N -0.90 -0.29 -4.37 1.67 7.64 -1.26 -4.81 113.62 111.29 1s5l n SER 170 Ca 0.04 -1.95 -0.45 0.00 1.01 0.00 0.00 58.87 57.52 1s5l n SER 170 Cb 0.23 0.72 -0.03 0.00 -1.01 0.00 0.00 64.21 64.12 1s5l n SER 170 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s5l s ALA 171 N -2.58 3.60 0.12 -0.43 0.00 -1.26 -4.91 121.76 116.30 1s5l s ALA 171 Ca 0.17 -2.66 -0.19 0.00 0.00 0.00 0.00 51.96 49.29 1s5l s ALA 171 Cb 0.01 -3.61 -0.06 0.00 0.00 0.00 0.00 23.12 19.46 1s5l s ALA 171 CO 0.12 -2.43 1.73 0.82 0.00 0.00 0.00 175.76 176.00 1s5l h ILE 172 N 5.60 1.11 -0.32 0.00 2.04 -1.97 -2.97 117.51 120.99 1s5l h ILE 172 Ca -0.10 -0.27 0.09 0.00 1.00 0.00 0.00 64.86 65.58 1s5l h ILE 172 Cb 1.06 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 1s5l h ILE 172 CO 1.00 0.10 0.64 0.00 0.00 0.00 0.00 178.15 179.90 1s5l h ALA 173 N 1.03 2.00 -2.23 1.87 0.00 -1.99 -2.88 119.26 117.05 1s5l h ALA 173 Ca 0.09 -0.01 -0.59 0.00 0.00 0.00 0.00 54.91 54.40 1s5l h ALA 173 Cb 0.05 0.02 -0.41 0.00 0.00 0.00 0.00 17.79 17.45 1s5l h ALA 173 CO -0.01 -0.81 -0.80 1.28 0.00 0.00 0.00 179.25 178.91 1s5l n LEU 174 N -3.16 2.12 -0.03 0.00 4.77 -1.12 -5.02 117.00 114.57 1s5l n LEU 174 Ca 0.06 -5.08 -0.02 0.00 -0.03 0.00 0.00 56.01 50.94 1s5l n LEU 174 Cb 0.77 -0.13 -0.01 0.00 -2.33 0.00 0.00 43.42 41.72 1s5l n LEU 174 CO 0.18 2.02 0.50 -0.65 -1.33 0.00 0.00 177.39 178.10 1s5l h PRO 175 N 4.34 -0.04 -1.94 3.23 0.11 -1.66 -2.89 132.00 133.15 1s5l h PRO 175 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1s5l h PRO 175 Cb 0.76 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1s5l h PRO 175 CO 0.66 -0.02 0.00 1.04 -0.21 0.00 0.00 178.00 179.47 1s5l n GLN 176 N -3.13 0.84 -3.14 1.05 1.13 -1.26 -4.90 117.38 107.97 1s5l n GLN 176 Ca -0.00 0.00 -0.18 0.00 -1.94 0.00 0.00 57.00 54.88 1s5l n GLN 176 Cb 0.04 -1.08 0.01 0.00 0.11 0.00 0.00 30.24 29.32 1s5l n GLN 176 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1s5l s ALA 177 N 0.30 4.45 -0.03 -1.58 0.00 -1.09 -5.06 121.76 118.75 1s5l s ALA 177 Ca 0.00 -1.61 -0.30 0.00 0.00 0.00 0.00 51.96 50.05 1s5l s ALA 177 Cb 0.00 -1.64 -0.06 0.00 0.00 0.00 0.00 23.12 21.42 1s5l s ALA 177 CO 0.00 -0.21 1.68 -1.59 0.00 0.00 0.00 175.76 175.64 1s5l s LYS 178 N -4.30 4.18 0.37 0.00 -2.85 -1.26 -4.92 119.74 110.97 1s5l s LYS 178 Ca 0.52 2.25 0.20 0.00 -1.00 0.00 0.00 55.97 57.94 1s5l s LYS 178 Cb -0.10 -3.96 0.40 0.00 -2.06 0.00 0.00 37.83 32.11 1s5l s LYS 178 CO 0.32 -0.84 1.60 1.49 0.10 0.00 0.00 175.35 178.03 1s5l h GLU 179 N 9.49 0.00 0.00 1.78 4.81 -1.97 -3.39 114.58 125.30 1s5l h GLU 179 Ca -0.41 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 1s5l h GLU 179 Cb 1.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1s5l h GLU 179 CO 0.95 0.28 0.00 -0.85 -0.73 0.00 0.00 179.01 178.66 1s5l n GLU 180 N -3.22 0.00 -0.32 1.92 0.28 -1.26 -1.09 120.64 116.94 1s5l n GLU 180 Ca 0.02 0.59 0.07 0.00 -0.16 0.00 0.00 57.16 57.68 1s5l n GLU 180 Cb 0.59 -1.31 0.22 0.00 1.43 0.00 0.00 31.44 32.38 1s5l n GLU 180 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1s5l h GLU 181 N 0.00 0.79 0.00 3.44 4.81 -2.02 -0.31 114.58 121.29 1s5l h GLU 181 Ca 0.00 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1s5l h GLU 181 Cb 0.00 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.20 1s5l h GLU 181 CO 0.00 0.52 -0.04 -0.07 -0.73 0.00 0.00 179.01 178.69 1s5l h LEU 182 N 0.81 0.00 -0.94 1.64 3.38 -1.73 -3.26 115.31 115.21 1s5l h LEU 182 Ca 0.47 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.53 1s5l h LEU 182 Cb 0.55 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.18 1s5l h LEU 182 CO -0.30 0.04 -0.55 0.00 0.09 0.00 0.00 178.44 177.71 1s5l n ALA 183 N -2.13 -0.60 -0.19 1.53 0.00 -0.13 -0.36 120.51 118.63 1s5l n ALA 183 Ca -0.01 0.80 0.03 0.00 0.00 0.00 0.00 53.44 54.26 1s5l n ALA 183 Cb 0.26 -0.12 0.06 0.00 0.00 0.00 0.00 19.45 19.66 1s5l n ALA 183 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1s5l n ARG 184 N -5.15 -0.06 0.03 0.00 3.00 -1.23 -0.52 116.66 112.73 1s5l n ARG 184 Ca 0.02 0.81 -0.02 0.00 -0.00 0.00 0.00 57.85 58.66 1s5l n ARG 184 Cb 0.24 -1.21 -0.09 0.00 0.00 0.00 0.00 32.46 31.41 1s5l n ARG 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1s5l h ALA 185 N 0.99 0.68 0.00 5.13 0.00 -0.92 -3.35 119.26 121.79 1s5l h ALA 185 Ca 0.24 -0.97 0.00 0.00 0.00 0.00 0.00 54.91 54.17 1s5l h ALA 185 Cb 0.37 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1s5l h ALA 185 CO -0.53 1.07 0.00 0.09 0.00 0.00 0.00 179.25 179.87 1s5l n ASN 186 N -2.95 0.00 -4.02 0.00 3.02 0.32 -4.63 115.26 107.00 1s5l n ASN 186 Ca -0.11 0.04 -0.24 0.00 -0.03 0.00 0.00 54.58 54.24 1s5l n ASN 186 Cb 0.89 -0.32 -0.16 0.00 -0.61 0.00 0.00 39.78 39.57 1s5l n ASN 186 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1s5l s VAL 187 N -2.63 1.09 0.09 2.41 1.01 -0.92 -4.72 120.40 116.73 1s5l s VAL 187 Ca 0.20 -0.46 -0.03 0.00 0.00 0.00 0.00 61.98 61.69 1s5l s VAL 187 Cb 0.15 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.49 1s5l s VAL 187 CO 0.36 0.34 0.29 -0.54 0.00 0.00 0.00 175.10 175.55 1s5l s LYS 188 N 0.61 3.54 -0.02 2.72 1.02 -1.26 -4.76 119.74 121.58 1s5l s LYS 188 Ca -0.13 -0.23 0.04 0.00 0.02 0.00 0.00 55.97 55.68 1s5l s LYS 188 Cb -0.15 -2.96 -0.01 0.00 -0.52 0.00 0.00 37.83 34.19 1s5l s LYS 188 CO 0.03 0.55 -0.15 1.03 -0.92 0.00 0.00 175.35 175.89 1s5l s ARG 189 N -2.45 1.33 -0.25 1.68 0.52 -0.75 -4.81 118.95 114.21 1s5l s ARG 189 Ca 0.36 -0.54 -0.10 0.00 -0.52 0.00 0.00 55.73 54.94 1s5l s ARG 189 Cb -0.13 -1.25 -0.04 0.00 0.52 0.00 0.00 34.95 34.05 1s5l s ARG 189 CO 0.25 0.30 0.14 0.12 0.02 0.00 0.00 175.30 176.12 1s5l s PHE 190 N -0.24 3.21 -0.14 -0.53 5.99 -1.26 -4.03 117.98 120.99 1s5l s PHE 190 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 56.93 56.92 1s5l s PHE 190 Cb -0.07 -2.29 -0.03 0.00 0.00 0.00 0.00 43.02 40.62 1s5l s PHE 190 CO 0.00 -0.13 0.01 -1.54 -0.00 0.00 0.00 175.22 173.55 1s5l s SER 191 N 1.43 5.20 -0.09 6.13 1.04 -1.26 -5.07 113.70 121.07 1s5l s SER 191 Ca 0.07 0.03 0.04 0.00 0.48 0.00 0.00 55.95 56.57 1s5l s SER 191 Cb -0.15 -1.72 0.00 0.00 0.10 0.00 0.00 66.02 64.25 1s5l s SER 191 CO 0.07 0.25 -0.22 -0.22 0.98 0.00 0.00 173.24 174.10 1s5l s LEU 192 N -0.11 2.02 0.00 2.42 2.96 -1.26 -3.43 118.68 121.28 1s5l s LEU 192 Ca 0.04 -0.52 0.03 0.00 -0.22 0.00 0.00 54.13 53.47 1s5l s LEU 192 Cb -0.13 -1.31 -0.01 0.00 0.50 0.00 0.00 46.19 45.24 1s5l s LEU 192 CO 0.02 0.14 0.12 0.41 -1.32 0.00 0.00 176.35 175.72 1s5l n THR 193 N 3.57 0.00 -1.81 3.68 -1.04 0.36 -4.89 114.28 114.15 1s5l n THR 193 Ca -0.20 -1.09 -0.42 0.00 -2.04 0.00 0.00 64.05 60.31 1s5l n THR 193 Cb 0.53 0.52 -0.02 0.00 -1.82 0.00 0.00 70.33 69.54 1s5l n THR 193 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1s5l s LYS 194 N -2.62 4.15 -0.03 -2.82 -2.85 -1.26 -1.50 119.74 112.80 1s5l s LYS 194 Ca 0.16 2.53 0.05 0.00 -1.00 0.00 0.00 55.97 57.72 1s5l s LYS 194 Cb 0.01 -3.06 -0.01 0.00 -2.06 0.00 0.00 37.83 32.71 1s5l s LYS 194 CO 0.12 -0.64 -0.18 0.20 0.10 0.00 0.00 175.35 174.95 1s5l s GLY 195 N 0.73 0.91 -0.05 0.59 0.00 -1.12 -4.66 107.32 103.72 1s5l s GLY 195 Ca 0.67 -0.73 -0.02 0.00 0.00 0.00 0.00 44.72 44.64 1s5l s GLY 195 CO 0.41 -0.48 0.10 1.62 0.00 0.00 0.00 173.10 174.76 1s5l s GLN 196 N -0.15 0.06 -0.02 2.90 0.74 -1.18 -2.33 119.66 119.67 1s5l s GLN 196 Ca 0.01 0.28 -0.20 0.00 0.05 0.00 0.00 55.36 55.50 1s5l s GLN 196 Cb -0.10 -0.16 0.04 0.00 1.10 0.00 0.00 33.01 33.90 1s5l s GLN 196 CO 0.01 -0.14 0.42 -1.50 -0.55 0.00 0.00 175.29 173.53 1s5l s ILE 197 N 0.94 0.04 0.05 -2.34 2.07 -1.20 0.40 121.20 121.16 1s5l s ILE 197 Ca -0.07 -0.34 0.00 0.00 -1.41 0.00 0.00 60.65 58.83 1s5l s ILE 197 Cb -0.10 -0.76 -0.03 0.00 0.13 0.00 0.00 42.46 41.71 1s5l s ILE 197 CO -0.04 -0.19 -0.04 -0.94 -1.91 0.00 0.00 174.94 171.82 1s5l s SER 198 N -1.36 0.56 0.07 4.50 1.04 -0.24 -2.52 113.70 115.76 1s5l s SER 198 Ca -0.12 -0.74 0.04 0.00 0.48 0.00 0.00 55.95 55.61 1s5l s SER 198 Cb -0.03 0.12 -0.03 0.00 0.10 0.00 0.00 66.02 66.18 1s5l s SER 198 CO 0.05 -0.40 -0.13 -0.76 0.98 0.00 0.00 173.24 172.98 1s5l s LEU 199 N -2.19 2.28 -0.03 2.42 1.43 0.40 -3.47 118.68 119.52 1s5l s LEU 199 Ca -0.03 -0.61 -0.01 0.00 -1.03 0.00 0.00 54.13 52.45 1s5l s LEU 199 Cb -0.02 -0.43 0.03 0.00 0.03 0.00 0.00 46.19 45.80 1s5l s LEU 199 CO -0.04 -0.11 0.03 0.20 0.23 0.00 0.00 176.35 176.65 1s5l s ASN 200 N -1.75 0.65 -0.15 2.29 0.01 -1.12 -3.20 114.94 111.67 1s5l s ASN 200 Ca -0.03 0.02 -0.17 0.00 -0.71 0.00 0.00 52.86 51.96 1s5l s ASN 200 Cb -0.10 -0.18 -0.04 0.00 0.41 0.00 0.00 41.25 41.35 1s5l s ASN 200 CO 0.02 -0.16 0.44 -0.69 -1.51 0.00 0.00 177.10 175.19 1s5l s VAL 201 N 1.47 5.20 -0.19 1.60 1.01 -1.26 0.22 120.40 128.44 1s5l s VAL 201 Ca -0.04 0.85 0.08 0.00 0.00 0.00 0.00 61.98 62.86 1s5l s VAL 201 Cb -0.13 -3.77 -0.10 0.00 0.00 0.00 0.00 36.38 32.38 1s5l s VAL 201 CO -0.03 0.31 0.25 0.00 0.00 0.00 0.00 175.10 175.63 1s5l n ALA 202 N 3.92 2.66 -3.66 5.51 0.00 -0.83 -4.65 120.51 123.45 1s5l n ALA 202 Ca -0.08 -0.20 -0.07 0.00 0.00 0.00 0.00 53.44 53.09 1s5l n ALA 202 Cb 0.51 -0.27 -0.08 0.00 0.00 0.00 0.00 19.45 19.61 1s5l n ALA 202 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1s5l s LYS 203 N -2.11 0.40 0.14 0.00 1.02 -1.19 -5.07 119.74 112.93 1s5l s LYS 203 Ca 0.00 1.12 0.08 0.00 0.02 0.00 0.00 55.97 57.19 1s5l s LYS 203 Cb 0.05 0.43 -0.04 0.00 -0.52 0.00 0.00 37.83 37.75 1s5l s LYS 203 CO 0.32 -0.23 -0.19 0.08 -0.92 0.00 0.00 175.35 174.41 1s5l s VAL 204 N 2.55 1.75 0.37 3.17 1.01 -1.26 -2.85 120.40 125.14 1s5l s VAL 204 Ca -0.04 -1.79 -0.15 0.00 0.00 0.00 0.00 61.98 60.00 1s5l s VAL 204 Cb -0.11 -1.73 0.05 0.00 0.00 0.00 0.00 36.38 34.58 1s5l s VAL 204 CO -0.14 -0.25 0.75 1.51 0.00 0.00 0.00 175.10 176.97 1s5l s ASP 205 N -2.43 0.07 0.00 3.32 -4.77 -1.23 -2.85 116.67 108.79 1s5l s ASP 205 Ca 0.12 -1.13 0.00 0.00 -3.30 0.00 0.00 52.55 48.24 1s5l s ASP 205 Cb -0.07 0.82 0.00 0.00 -1.09 0.00 0.00 42.92 42.58 1s5l s ASP 205 CO 0.06 -1.62 0.00 0.61 0.70 0.00 0.00 175.17 174.92 1s5l n GLY 206 N -0.53 0.40 0.00 2.12 0.00 -1.26 -4.42 105.19 101.50 1s5l n GLY 206 Ca -0.07 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1s5l n GLY 206 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s5l n ARG 207 N 4.51 2.82 -0.05 1.61 1.74 -1.26 -4.84 116.66 121.19 1s5l n ARG 207 Ca 0.00 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.03 1s5l n ARG 207 Cb 0.00 -0.71 -0.02 0.00 -1.02 0.00 0.00 32.46 30.71 1s5l n ARG 207 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1s5l n THR 208 N -1.04 0.89 -2.24 0.55 -1.04 -1.26 -4.90 114.28 105.23 1s5l n THR 208 Ca 0.00 0.28 -0.42 0.00 -2.04 0.00 0.00 64.05 61.87 1s5l n THR 208 Cb 0.00 -1.98 -0.03 0.00 -1.82 0.00 0.00 70.33 66.51 1s5l n THR 208 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1s5l s GLY 209 N -4.12 1.93 -0.12 3.41 0.00 -1.26 -3.52 107.32 103.63 1s5l s GLY 209 Ca -0.16 0.91 -0.04 0.00 0.00 0.00 0.00 44.72 45.42 1s5l s GLY 209 CO 0.24 2.44 -0.15 1.18 0.00 0.00 0.00 173.10 176.82 1s5l n GLU 210 N 5.03 0.27 -4.40 2.90 -0.58 -0.98 -3.55 120.64 119.33 1s5l n GLU 210 Ca 0.12 0.10 -0.20 0.00 -0.42 0.00 0.00 57.16 56.77 1s5l n GLU 210 Cb 0.44 -1.02 -0.10 0.00 -0.57 0.00 0.00 31.44 30.19 1s5l n GLU 210 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1s5l s ILE 211 N -2.23 1.34 -0.29 -3.67 1.01 0.19 -3.77 121.20 113.78 1s5l s ILE 211 Ca -0.17 -2.06 -0.22 0.00 0.00 0.00 0.00 60.65 58.20 1s5l s ILE 211 Cb 0.06 -2.51 0.18 0.00 0.01 0.00 0.00 42.46 40.20 1s5l s ILE 211 CO 0.23 -0.23 1.25 0.00 0.00 0.00 0.00 174.94 176.19 1s5l s ALA 212 N -3.21 -2.29 0.00 9.38 0.00 -1.13 -1.39 121.76 123.12 1s5l s ALA 212 Ca 0.31 1.87 0.00 0.00 0.00 0.00 0.00 51.96 54.14 1s5l s ALA 212 Cb 0.06 -1.75 0.00 0.00 0.00 0.00 0.00 23.12 21.42 1s5l s ALA 212 CO 0.12 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.07 1s5l n GLY 213 N 2.38 1.84 3.70 0.00 0.00 -1.19 -1.97 105.19 109.94 1s5l n GLY 213 Ca -0.14 -0.61 -0.38 0.00 0.00 0.00 0.00 46.02 44.89 1s5l n GLY 213 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s5l s THR 214 N -2.20 5.18 0.59 2.61 2.01 0.13 -2.94 115.64 121.03 1s5l s THR 214 Ca 0.00 0.86 -0.04 0.00 0.31 0.00 0.00 61.69 62.81 1s5l s THR 214 Cb 0.00 -3.78 0.02 0.00 0.01 0.00 0.00 72.50 68.75 1s5l s THR 214 CO 0.00 0.28 0.88 0.12 -0.69 0.00 0.00 174.62 175.21 1s5l s PHE 215 N 0.99 3.13 0.00 4.92 5.36 -0.41 -2.79 117.98 129.18 1s5l s PHE 215 Ca 0.23 0.47 0.00 0.00 -0.96 0.00 0.00 56.93 56.67 1s5l s PHE 215 Cb -0.15 -2.78 0.00 0.00 -0.34 0.00 0.00 43.02 39.75 1s5l s PHE 215 CO 0.09 -0.90 0.00 -1.91 -1.46 0.00 0.00 175.22 171.04 1s5l n GLU 216 N -2.56 0.00 -4.25 10.12 2.13 -1.23 -3.64 120.64 121.21 1s5l n GLU 216 Ca 0.05 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.73 1s5l n GLU 216 Cb 0.58 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 32.19 1s5l n GLU 216 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1s5l s SER 217 N 0.00 1.42 -0.18 4.31 1.04 0.21 -1.08 113.70 119.44 1s5l s SER 217 Ca 0.00 -1.14 -0.04 0.00 0.48 0.00 0.00 55.95 55.25 1s5l s SER 217 Cb 0.00 0.07 0.08 0.00 0.10 0.00 0.00 66.02 66.27 1s5l s SER 217 CO 0.00 -0.51 0.19 -0.70 0.98 0.00 0.00 173.24 173.20 1s5l s GLU 218 N -3.87 0.14 0.00 4.02 2.12 0.16 0.46 118.70 121.74 1s5l s GLU 218 Ca 0.22 0.22 0.00 0.00 0.36 0.00 0.00 54.97 55.78 1s5l s GLU 218 Cb 0.05 -1.14 0.00 0.00 0.26 0.00 0.00 34.13 33.30 1s5l s GLU 218 CO 0.03 -0.59 0.00 1.04 -0.54 0.00 0.00 175.26 175.20 1s5l n GLN 219 N 5.31 1.41 -4.30 4.30 6.02 -1.13 -3.11 117.38 125.87 1s5l n GLN 219 Ca -0.06 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.64 1s5l n GLN 219 Cb 0.49 0.00 -0.11 0.00 1.02 0.00 0.00 30.24 31.64 1s5l n GLN 219 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1s5l s LEU 220 N 0.00 2.70 1.15 1.08 1.43 -1.26 -1.58 118.68 122.21 1s5l s LEU 220 Ca 0.00 -0.57 -0.19 0.00 -1.03 0.00 0.00 54.13 52.34 1s5l s LEU 220 Cb 0.00 -1.54 0.28 0.00 0.03 0.00 0.00 46.19 44.96 1s5l s LEU 220 CO 0.00 0.17 1.20 -0.94 0.23 0.00 0.00 176.35 177.01 1s5l s SER 221 N -2.17 1.40 0.18 2.29 1.04 -1.06 -4.51 113.70 110.87 1s5l s SER 221 Ca 0.18 0.39 -0.25 0.00 0.48 0.00 0.00 55.95 56.75 1s5l s SER 221 Cb -0.10 -0.47 -0.08 0.00 0.10 0.00 0.00 66.02 65.46 1s5l s SER 221 CO 0.10 -3.80 0.79 -0.62 0.98 0.00 0.00 173.24 170.69 1s5l s ASP 222 N -4.34 7.39 0.00 7.02 2.15 -1.00 -4.79 116.67 123.10 1s5l s ASP 222 Ca 0.74 1.67 0.09 0.00 0.43 0.00 0.00 52.55 55.48 1s5l s ASP 222 Cb -0.06 -2.51 -0.07 0.00 -0.30 0.00 0.00 42.92 39.99 1s5l s ASP 222 CO 0.55 0.19 0.47 -0.90 -0.17 0.00 0.00 175.17 175.31 1s5l n ASP 223 N 1.50 0.69 -3.07 -0.34 5.75 -1.26 -4.63 116.55 115.19 1s5l n ASP 223 Ca -0.05 -0.84 -0.18 0.00 -0.01 0.00 0.00 54.79 53.71 1s5l n ASP 223 Cb 0.49 0.83 0.07 0.00 -1.03 0.00 0.00 41.12 41.48 1s5l n ASP 223 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1s5l n ASP 224 N -0.91 -4.07 -4.17 -1.12 -0.08 -1.26 -1.75 116.55 103.18 1s5l n ASP 224 Ca 0.03 -0.48 -0.30 0.00 -1.51 0.00 0.00 54.79 52.53 1s5l n ASP 224 Cb 0.17 -4.34 -0.08 0.00 2.34 0.00 0.00 41.12 39.20 1s5l n ASP 224 CO 0.00 0.00 0.00 1.15 0.12 0.00 0.00 177.20 178.47 1s5l n MET 225 N -4.00 -0.89 0.00 -0.67 -0.00 -1.26 -3.65 117.12 106.66 1s5l n MET 225 Ca -0.10 0.08 0.00 0.00 -0.00 0.00 0.00 57.70 57.67 1s5l n MET 225 Cb 0.59 -3.20 0.00 0.00 -0.00 0.00 0.00 33.22 30.61 1s5l n MET 225 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1s5l n GLY 226 N -2.43 1.54 0.00 3.17 0.00 -1.23 -1.81 105.19 104.43 1s5l n GLY 226 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1s5l n GLY 226 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s5l n ALA 227 N 0.00 0.00 -1.47 4.61 0.00 -0.72 -4.46 120.51 118.48 1s5l n ALA 227 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.99 1s5l n ALA 227 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1s5l n ALA 227 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1s5l n HIS 228 N 0.00 -0.07 -1.99 0.00 1.44 -1.26 -4.88 115.22 108.47 1s5l n HIS 228 Ca 0.00 0.76 -0.38 0.00 -2.01 0.00 0.00 57.72 56.09 1s5l n HIS 228 Cb 0.00 -2.04 0.02 0.00 0.12 0.00 0.00 29.99 28.08 1s5l n HIS 228 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1s5l s GLU 229 N -1.34 3.46 0.34 -1.40 2.02 -1.26 -4.63 118.70 115.89 1s5l s GLU 229 Ca 0.62 2.06 -0.28 0.00 0.02 0.00 0.00 54.97 57.38 1s5l s GLU 229 Cb -0.75 -2.36 -0.12 0.00 0.10 0.00 0.00 34.13 31.00 1s5l s GLU 229 CO 0.58 -0.88 1.34 -2.30 0.02 0.00 0.00 175.26 174.02 1s5l n PRO 230 N -0.71 2.24 -3.27 0.39 -0.02 -1.26 -4.97 135.00 127.40 1s5l n PRO 230 Ca 0.09 0.79 -0.39 0.00 -2.02 0.00 0.00 63.50 61.97 1s5l n PRO 230 Cb 0.46 -2.40 -0.06 0.00 -0.02 0.00 0.00 33.50 31.48 1s5l n PRO 230 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1s5l s HIS 231 N -1.05 3.74 0.67 6.00 3.76 -1.26 -4.85 115.29 122.29 1s5l s HIS 231 Ca 0.55 1.20 -0.14 0.00 -0.15 0.00 0.00 55.06 56.53 1s5l s HIS 231 Cb -0.55 -2.52 0.00 0.00 1.11 0.00 0.00 32.58 30.62 1s5l s HIS 231 CO 0.62 0.48 1.08 -1.21 -0.85 0.00 0.00 174.74 174.86 1s5l s GLU 232 N -0.67 2.88 0.10 1.40 8.01 -1.25 -2.55 118.70 126.62 1s5l s GLU 232 Ca 0.29 1.21 0.03 0.00 0.01 0.00 0.00 54.97 56.51 1s5l s GLU 232 Cb -0.19 -1.97 -0.04 0.00 -4.31 0.00 0.00 34.13 27.62 1s5l s GLU 232 CO 0.17 -1.16 -0.08 0.08 0.01 0.00 0.00 175.26 174.28 1s5l s VAL 233 N -2.61 0.80 -0.10 2.63 1.01 -0.61 -2.27 120.40 119.25 1s5l s VAL 233 Ca 0.63 -1.84 -0.05 0.00 0.00 0.00 0.00 61.98 60.72 1s5l s VAL 233 Cb -0.17 -1.57 0.05 0.00 0.00 0.00 0.00 36.38 34.68 1s5l s VAL 233 CO 0.45 -0.76 0.23 -0.75 0.00 0.00 0.00 175.10 174.27 1s5l s LYS 234 N -3.47 0.15 -0.04 2.72 2.20 0.35 -2.85 119.74 118.79 1s5l s LYS 234 Ca 0.10 0.58 0.06 0.00 -0.36 0.00 0.00 55.97 56.35 1s5l s LYS 234 Cb 0.02 -0.12 -0.02 0.00 -1.51 0.00 0.00 37.83 36.20 1s5l s LYS 234 CO -0.03 -0.21 -0.24 0.42 -0.36 0.00 0.00 175.35 174.93 1s5l s ILE 235 N 1.70 2.20 0.03 5.43 1.01 0.17 -0.31 121.20 131.43 1s5l s ILE 235 Ca -0.05 -1.03 0.04 0.00 0.00 0.00 0.00 60.65 59.60 1s5l s ILE 235 Cb -0.11 -1.79 -0.02 0.00 0.01 0.00 0.00 42.46 40.55 1s5l s ILE 235 CO -0.08 0.58 -0.11 -1.10 0.00 0.00 0.00 174.94 174.23 1s5l s GLN 236 N -0.40 0.77 0.00 2.79 -0.21 -0.82 0.68 119.66 122.47 1s5l s GLN 236 Ca 0.04 -0.61 0.00 0.00 0.02 0.00 0.00 55.36 54.81 1s5l s GLN 236 Cb -0.12 -0.73 0.00 0.00 1.00 0.00 0.00 33.01 33.16 1s5l s GLN 236 CO 0.01 0.18 0.00 0.41 -2.12 0.00 0.00 175.29 173.77 1s5l n GLY 237 N 2.13 2.16 3.36 3.09 0.00 -1.24 0.32 105.19 115.02 1s5l n GLY 237 Ca -0.17 -0.14 -0.19 0.00 0.00 0.00 0.00 46.02 45.52 1s5l n GLY 237 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s5l s VAL 238 N -0.01 0.61 0.24 1.61 1.01 0.22 -1.28 120.40 122.80 1s5l s VAL 238 Ca 0.00 -2.00 -0.21 0.00 0.00 0.00 0.00 61.98 59.77 1s5l s VAL 238 Cb 0.00 -2.60 0.03 0.00 0.00 0.00 0.00 36.38 33.81 1s5l s VAL 238 CO 0.00 0.00 0.66 0.72 0.00 0.00 0.00 175.10 176.48 1s5l s PHE 239 N -3.59 -0.25 0.01 5.22 -0.12 -1.15 -1.04 117.98 117.07 1s5l s PHE 239 Ca 0.36 -0.13 0.03 0.00 -0.05 0.00 0.00 56.93 57.14 1s5l s PHE 239 Cb 0.07 0.61 -0.01 0.00 -0.63 0.00 0.00 43.02 43.06 1s5l s PHE 239 CO 0.15 -1.09 -0.09 -0.47 -0.05 0.00 0.00 175.22 173.67 1s5l s TYR 240 N -3.88 0.81 -0.18 3.49 5.04 -0.64 -3.16 117.35 118.83 1s5l s TYR 240 Ca 0.09 -0.24 -0.12 0.00 -2.44 0.00 0.00 57.07 54.36 1s5l s TYR 240 Cb -0.04 -0.50 0.06 0.00 0.35 0.00 0.00 41.96 41.83 1s5l s TYR 240 CO 0.01 -0.01 0.45 0.00 -1.34 0.00 0.00 175.55 174.66 1s5l s ALA 241 N -0.53 -1.15 0.25 3.97 0.00 -0.49 0.38 121.76 124.19 1s5l s ALA 241 Ca 0.00 1.54 0.11 0.00 0.00 0.00 0.00 51.96 53.62 1s5l s ALA 241 Cb -0.05 -0.92 -0.05 0.00 0.00 0.00 0.00 23.12 22.10 1s5l s ALA 241 CO 0.00 -0.26 -0.21 -1.54 0.00 0.00 0.00 175.76 173.75 1s5l s SER 242 N 1.05 3.45 -0.08 0.00 1.04 -0.75 0.57 113.70 118.99 1s5l s SER 242 Ca -0.07 -0.98 -0.24 0.00 0.48 0.00 0.00 55.95 55.14 1s5l s SER 242 Cb -0.06 -0.27 0.05 0.00 0.10 0.00 0.00 66.02 65.84 1s5l s SER 242 CO -0.09 0.05 0.56 -0.63 0.98 0.00 0.00 173.24 174.10 1s5l s ILE 243 N -2.30 0.02 0.00 -1.02 1.01 -1.23 -2.50 121.20 115.17 1s5l s ILE 243 Ca 0.27 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.79 1s5l s ILE 243 Cb -0.06 -0.85 0.00 0.00 0.01 0.00 0.00 42.46 41.57 1s5l s ILE 243 CO 0.13 -0.07 0.00 1.21 0.00 0.00 0.00 174.94 176.21 1s5l n GLU 244 N 1.48 0.00 -4.26 2.79 2.13 -1.26 -4.76 120.64 116.76 1s5l n GLU 244 Ca -0.18 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.49 1s5l n GLU 244 Cb 0.56 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 32.17 1s5l n GLU 244 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1s5l s PRO 245 N 0.00 1.29 0.00 5.31 0.04 -1.26 -4.65 135.00 135.73 1s5l s PRO 245 Ca 0.00 -1.68 0.00 0.00 0.04 0.00 0.00 61.00 59.36 1s5l s PRO 245 Cb 0.00 -0.03 0.00 0.00 0.04 0.00 0.00 34.50 34.51 1s5l s PRO 245 CO 0.00 -0.32 0.00 0.00 0.04 0.00 0.00 177.00 176.72