#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m4s s LEU 4 N 0.00 4.32 -0.08 3.14 1.02 -1.26 -4.46 118.68 121.36 3m4s s LEU 4 Ca 0.00 0.45 0.04 0.00 0.02 0.00 0.00 54.13 54.64 3m4s s LEU 4 Cb 0.00 -2.17 0.00 0.00 0.02 0.00 0.00 46.19 44.04 3m4s s LEU 4 CO 0.00 0.29 -0.21 -0.89 0.02 0.00 0.00 176.35 175.55 3m4s s THR 5 N -0.39 1.84 -0.01 5.49 2.01 -0.87 -4.98 115.64 118.73 3m4s s THR 5 Ca 0.14 -0.90 -0.22 0.00 0.31 0.00 0.00 61.69 61.01 3m4s s THR 5 Cb -0.12 -1.59 -0.05 0.00 0.01 0.00 0.00 72.50 70.75 3m4s s THR 5 CO 0.03 0.51 0.66 -0.69 -0.69 0.00 0.00 174.62 174.44 3m4s s VAL 6 N 0.29 4.91 -0.27 3.82 1.01 -1.26 -0.54 120.40 128.35 3m4s s VAL 6 Ca -0.14 1.39 -0.09 0.00 0.00 0.00 0.00 61.98 63.13 3m4s s VAL 6 Cb -0.16 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 3m4s s VAL 6 CO 0.07 0.36 0.14 -0.69 0.00 0.00 0.00 175.10 174.97 3m4s s VAL 7 N 0.13 4.89 -0.46 2.92 1.01 -0.09 -4.96 120.40 123.83 3m4s s VAL 7 Ca 0.34 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.37 3m4s s VAL 7 Cb -0.19 -3.31 0.14 0.00 0.00 0.00 0.00 36.38 33.02 3m4s s VAL 7 CO 0.19 0.29 0.27 0.00 0.00 0.00 0.00 175.10 175.85 3m4s s ALA 8 N 1.69 2.20 -0.09 5.51 0.00 -1.26 -3.55 121.76 126.26 3m4s s ALA 8 Ca 0.07 -2.67 -0.27 0.00 0.00 0.00 0.00 51.96 49.09 3m4s s ALA 8 Cb -0.16 -1.88 -0.02 0.00 0.00 0.00 0.00 23.12 21.06 3m4s s ALA 8 CO 0.08 -2.06 0.87 0.45 0.00 0.00 0.00 175.76 175.09 3m4s s SER 9 N 0.18 7.12 0.00 0.00 0.15 -1.26 -4.93 113.70 114.96 3m4s s SER 9 Ca 0.20 1.36 0.17 0.00 0.70 0.00 0.00 55.95 58.38 3m4s s SER 9 Cb -0.20 -2.49 0.89 0.00 -1.71 0.00 0.00 66.02 62.51 3m4s s SER 9 CO -0.03 -0.30 1.50 -0.81 1.20 0.00 0.00 173.24 174.80 3m4s n PRO 10 N 4.48 0.29 -0.06 5.44 -0.04 -1.26 -2.76 135.00 141.08 3m4s n PRO 10 Ca 0.04 0.11 -0.11 0.00 -0.04 0.00 0.00 63.50 63.50 3m4s n PRO 10 Cb 0.50 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.31 3m4s n PRO 10 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3m4s n LEU 11 N -1.25 0.69 -4.83 1.53 4.77 -1.26 -4.93 117.00 111.72 3m4s n LEU 11 Ca 0.09 0.17 -0.33 0.00 -0.03 0.00 0.00 56.01 55.92 3m4s n LEU 11 Cb 0.13 0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 41.35 3m4s n LEU 11 CO 0.13 0.50 0.66 0.00 -1.33 0.00 0.00 177.39 177.34 3m4s s ALA 12 N -2.54 3.06 0.25 -1.18 0.00 -1.11 -4.31 121.76 115.93 3m4s s ALA 12 Ca -0.10 0.31 -0.28 0.00 0.00 0.00 0.00 51.96 51.89 3m4s s ALA 12 Cb 0.07 -3.13 -0.15 0.00 0.00 0.00 0.00 23.12 19.91 3m4s s ALA 12 CO 0.81 0.00 0.86 -2.30 0.00 0.00 0.00 175.76 175.14 3m4s n PRO 13 N -0.98 0.91 -2.14 0.00 -0.02 -1.26 -4.83 135.00 126.68 3m4s n PRO 13 Ca 0.07 0.32 -0.38 0.00 -2.02 0.00 0.00 63.50 61.48 3m4s n PRO 13 Cb 0.54 -1.58 -0.00 0.00 -0.02 0.00 0.00 33.50 32.44 3m4s n PRO 13 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3m4s s GLU 14 N -1.31 3.79 -1.19 -0.52 2.12 -1.26 -4.94 118.70 115.39 3m4s s GLU 14 Ca 0.61 1.96 -0.17 0.00 0.36 0.00 0.00 54.97 57.73 3m4s s GLU 14 Cb -0.78 -2.54 0.12 0.00 0.26 0.00 0.00 34.13 31.18 3m4s s GLU 14 CO 0.58 -0.58 1.50 0.00 -0.54 0.00 0.00 175.26 176.23 3m4s s ALA 15 N -1.40 3.56 -1.13 6.30 0.00 -1.26 -4.88 121.76 122.95 3m4s s ALA 15 Ca 0.61 -3.02 -0.09 0.00 0.00 0.00 0.00 51.96 49.46 3m4s s ALA 15 Cb -0.33 -4.34 0.27 0.00 0.00 0.00 0.00 23.12 18.72 3m4s s ALA 15 CO 0.41 -3.07 1.14 0.14 0.00 0.00 0.00 175.76 174.39 3m4s s VAL 16 N 2.98 5.94 0.00 0.00 -7.23 -1.26 -4.88 120.40 115.94 3m4s s VAL 16 Ca 0.46 -3.38 0.00 0.00 -1.81 0.00 0.00 61.98 57.25 3m4s s VAL 16 Cb -0.00 -4.63 0.00 0.00 0.56 0.00 0.00 36.38 32.30 3m4s s VAL 16 CO 0.01 -1.22 0.00 0.61 -0.31 0.00 0.00 175.10 174.18 3m4s n GLY 17 N 2.80 0.76 2.21 2.32 0.00 -1.26 -4.95 105.19 107.06 3m4s n GLY 17 Ca 0.25 -0.70 -0.25 0.00 0.00 0.00 0.00 46.02 45.32 3m4s n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m4s n ALA 18 N -3.00 5.81 -2.26 4.61 0.00 -1.26 -4.92 120.51 119.49 3m4s n ALA 18 Ca 0.00 -2.57 -0.10 0.00 0.00 0.00 0.00 53.44 50.77 3m4s n ALA 18 Cb 0.00 -1.69 -0.10 0.00 0.00 0.00 0.00 19.45 17.65 3m4s n ALA 18 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 3m4s s TYR 19 N -2.41 0.73 0.13 0.00 -0.85 -1.26 -5.16 117.35 108.53 3m4s s TYR 19 Ca 0.47 -0.90 0.07 0.00 -0.52 0.00 0.00 57.07 56.19 3m4s s TYR 19 Cb 0.35 -0.45 -0.04 0.00 0.38 0.00 0.00 41.96 42.20 3m4s s TYR 19 CO -0.09 -0.21 -0.03 -1.12 -1.52 0.00 0.00 175.55 172.58 3m4s s SER 20 N -2.77 4.74 0.19 -0.18 0.01 -1.26 -4.78 113.70 109.65 3m4s s SER 20 Ca 0.07 -0.33 -0.11 0.00 1.31 0.00 0.00 55.95 56.88 3m4s s SER 20 Cb 0.04 -1.02 0.18 0.00 0.21 0.00 0.00 66.02 65.43 3m4s s SER 20 CO -0.06 0.14 1.80 1.56 0.41 0.00 0.00 173.24 177.09 3m4s h GLN 21 N 3.14 0.56 -2.74 12.44 4.20 -1.93 -3.40 115.11 127.38 3m4s h GLN 21 Ca -0.48 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.12 3m4s h GLN 21 Cb 1.18 -0.13 -0.18 0.00 0.30 0.00 0.00 27.48 28.66 3m4s h GLN 21 CO 0.57 0.37 -0.04 0.00 -0.67 0.00 0.00 178.83 179.06 3m4s s ALA 22 N -6.12 -1.21 -0.07 3.87 0.00 -1.23 0.34 121.76 117.35 3m4s s ALA 22 Ca -0.13 0.60 0.05 0.00 0.00 0.00 0.00 51.96 52.49 3m4s s ALA 22 Cb 0.15 0.23 -0.01 0.00 0.00 0.00 0.00 23.12 23.49 3m4s s ALA 22 CO 0.75 -0.41 -0.23 0.42 0.00 0.00 0.00 175.76 176.29 3m4s s ILE 23 N -1.95 1.91 -0.14 0.00 -1.09 -0.07 -0.91 121.20 118.95 3m4s s ILE 23 Ca -0.08 -0.97 -0.14 0.00 -2.23 0.00 0.00 60.65 57.23 3m4s s ILE 23 Cb -0.02 -1.63 -0.05 0.00 -1.58 0.00 0.00 42.46 39.19 3m4s s ILE 23 CO 0.02 0.53 0.30 -0.63 -1.23 0.00 0.00 174.94 173.93 3m4s s ILE 24 N 0.03 5.28 -0.27 2.92 1.01 0.29 0.31 121.20 130.78 3m4s s ILE 24 Ca -0.08 0.58 -0.14 0.00 0.00 0.00 0.00 60.65 61.00 3m4s s ILE 24 Cb -0.14 -3.63 0.08 0.00 0.01 0.00 0.00 42.46 38.78 3m4s s ILE 24 CO 0.05 0.42 0.65 0.00 0.00 0.00 0.00 174.94 176.06 3m4s n ASN 26 N 4.46 -2.88 0.00 0.00 5.03 -1.26 -2.26 115.26 118.35 3m4s n ASN 26 Ca -0.19 -0.90 0.00 0.00 0.87 0.00 0.00 54.58 54.35 3m4s n ASN 26 Cb 0.57 -3.39 0.00 0.00 -1.02 0.00 0.00 39.78 35.94 3m4s n ASN 26 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3m4s n GLY 27 N -1.66 0.74 3.11 7.41 0.00 -1.26 -5.02 105.19 108.51 3m4s n GLY 27 Ca -0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 3m4s n GLY 27 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3m4s s MET 28 N -0.40 0.97 -0.24 1.61 -1.94 -0.96 -1.65 119.30 116.69 3m4s s MET 28 Ca 0.00 -0.61 -0.08 0.00 -1.71 0.00 0.00 55.69 53.29 3m4s s MET 28 Cb 0.00 -0.96 -0.03 0.00 2.01 0.00 0.00 34.83 35.85 3m4s s MET 28 CO 0.00 0.25 0.08 0.08 -0.01 0.00 0.00 175.02 175.42 3m4s s VAL 29 N -0.59 4.52 -0.41 -6.03 1.01 0.28 0.03 120.40 119.22 3m4s s VAL 29 Ca 0.03 -0.10 -0.09 0.00 0.00 0.00 0.00 61.98 61.81 3m4s s VAL 29 Cb -0.06 -3.11 0.07 0.00 0.00 0.00 0.00 36.38 33.28 3m4s s VAL 29 CO 0.00 0.35 0.25 -0.31 0.00 0.00 0.00 175.10 175.40 3m4s s TYR 30 N 1.39 3.32 -0.06 5.22 2.02 0.15 -0.58 117.35 128.82 3m4s s TYR 30 Ca 0.05 -1.44 -0.10 0.00 -0.37 0.00 0.00 57.07 55.21 3m4s s TYR 30 Cb -0.15 -2.88 -0.05 0.00 -0.40 0.00 0.00 41.96 38.49 3m4s s TYR 30 CO 0.04 -0.82 0.27 0.00 -1.57 0.00 0.00 175.55 173.47 3m4s s SER 32 N -1.09 3.09 -0.19 0.00 0.01 0.15 -3.24 113.70 112.43 3m4s s SER 32 Ca 0.20 1.77 -0.29 0.00 1.31 0.00 0.00 55.95 58.94 3m4s s SER 32 Cb -0.14 -2.38 -0.05 0.00 0.21 0.00 0.00 66.02 63.66 3m4s s SER 32 CO 0.09 -2.92 1.94 -0.83 0.41 0.00 0.00 173.24 171.93 3m4s s GLY 33 N -3.04 0.93 0.22 3.44 0.00 -1.26 -4.39 107.32 103.22 3m4s s GLY 33 Ca 0.65 0.72 -0.26 0.00 0.00 0.00 0.00 44.72 45.82 3m4s s GLY 33 CO 0.58 3.44 0.86 1.20 0.00 0.00 0.00 173.10 179.18 3m4s s GLN 34 N 5.43 4.64 0.41 2.90 -1.52 0.79 -4.81 119.66 127.50 3m4s s GLN 34 Ca 0.87 1.27 0.07 0.00 -1.95 0.00 0.00 55.36 55.63 3m4s s GLN 34 Cb -0.31 -3.15 -0.04 0.00 -0.22 0.00 0.00 33.01 29.29 3m4s s GLN 34 CO 0.35 0.49 0.25 0.96 -0.25 0.00 0.00 175.29 177.08 3m4s s ILE 35 N -1.28 2.48 0.00 1.08 -4.36 -1.26 -1.34 121.20 116.52 3m4s s ILE 35 Ca 0.41 -1.57 0.00 0.00 -0.26 0.00 0.00 60.65 59.23 3m4s s ILE 35 Cb -0.23 -3.00 0.00 0.00 1.25 0.00 0.00 42.46 40.48 3m4s s ILE 35 CO 0.27 -0.01 1.22 0.61 0.24 0.00 0.00 174.94 177.27 3m4s n GLY 36 N -1.34 1.86 3.80 6.27 0.00 -1.26 -4.49 105.19 110.03 3m4s n GLY 36 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3m4s n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m4s s LEU 37 N 0.00 4.31 -0.35 0.99 1.43 -1.26 -0.38 118.68 123.41 3m4s s LEU 37 Ca 0.00 1.68 -0.08 0.00 -1.03 0.00 0.00 54.13 54.70 3m4s s LEU 37 Cb 0.00 -3.92 0.04 0.00 0.03 0.00 0.00 46.19 42.34 3m4s s LEU 37 CO 0.00 -0.06 0.14 -0.62 0.23 0.00 0.00 176.35 176.04 3m4s s ASP 38 N -1.68 5.45 0.45 2.29 -1.08 0.23 -4.64 116.67 117.68 3m4s s ASP 38 Ca 0.49 -1.12 0.24 0.00 -0.52 0.00 0.00 52.55 51.63 3m4s s ASP 38 Cb -0.17 -1.92 1.24 0.00 -1.46 0.00 0.00 42.92 40.61 3m4s s ASP 38 CO 0.22 -0.35 1.80 -0.09 0.52 0.00 0.00 175.17 177.26 3m4s h ARG 39 N 8.29 0.26 -0.34 4.34 9.65 -1.87 0.66 114.38 135.37 3m4s h ARG 39 Ca -0.24 -0.02 -0.11 0.00 -1.10 0.00 0.00 59.98 58.51 3m4s h ARG 39 Cb 1.09 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.60 3m4s h ARG 39 CO 0.63 0.17 -0.26 0.87 2.80 0.00 0.00 179.97 184.18 3m4s h LYS 40 N 0.27 0.68 0.00 0.20 1.57 -1.92 -3.21 116.57 114.15 3m4s h LYS 40 Ca 0.56 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 3m4s h LYS 40 Cb 1.67 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.95 3m4s h LYS 40 CO -0.20 0.87 -1.27 0.25 -0.57 0.00 0.00 179.45 178.53 3m4s n THR 41 N -4.10 0.05 -1.23 -0.16 -2.24 0.90 -4.96 114.28 102.54 3m4s n THR 41 Ca -0.00 -0.21 -0.08 0.00 -2.27 0.00 0.00 64.05 61.49 3m4s n THR 41 Cb 0.44 0.49 -0.03 0.00 -2.10 0.00 0.00 70.33 69.13 3m4s n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3m4s n GLY 42 N 1.40 0.89 3.32 3.38 0.00 0.19 -4.95 105.19 109.42 3m4s n GLY 42 Ca 0.01 -0.19 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 3m4s n GLY 42 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3m4s s ASP 43 N -2.46 0.08 0.18 1.61 2.15 -1.24 -4.91 116.67 112.08 3m4s s ASP 43 Ca 0.00 -1.17 -0.33 0.00 0.43 0.00 0.00 52.55 51.49 3m4s s ASP 43 Cb 0.00 0.44 -0.15 0.00 -0.30 0.00 0.00 42.92 42.90 3m4s s ASP 43 CO 0.00 -0.92 1.18 0.49 -0.17 0.00 0.00 175.17 175.75 3m4s n PHE 44 N -0.28 1.36 -0.31 -5.34 3.72 -1.26 -0.60 117.46 114.76 3m4s n PHE 44 Ca -0.01 0.66 0.13 0.00 -0.05 0.00 0.00 57.45 58.19 3m4s n PHE 44 Cb 0.64 -2.29 0.37 0.00 -0.94 0.00 0.00 39.48 37.26 3m4s n PHE 44 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3m4s h ALA 45 N 3.41 1.83 -1.85 4.37 0.00 -1.01 -3.45 119.26 122.57 3m4s h ALA 45 Ca -0.43 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.52 3m4s h ALA 45 Cb 1.34 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 3m4s h ALA 45 CO 0.70 -0.13 0.04 0.41 0.00 0.00 0.00 179.25 180.27 3m4s n GLY 46 N -1.41 1.54 1.03 0.00 0.00 -1.26 -4.95 105.19 100.14 3m4s n GLY 46 Ca 0.20 -0.98 0.09 0.00 0.00 0.00 0.00 46.02 45.33 3m4s n GLY 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3m4s n LYS 47 N -0.05 2.65 -4.42 1.61 5.02 -1.26 -4.58 118.16 117.13 3m4s n LYS 47 Ca -0.00 -2.32 -0.32 0.00 -2.02 0.00 0.00 58.31 53.65 3m4s n LYS 47 Cb 0.05 -1.44 -0.10 0.00 -0.02 0.00 0.00 35.03 33.52 3m4s n LYS 47 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3m4s s THR 48 N -1.06 3.59 0.24 -0.18 -4.23 -1.26 -5.02 115.64 107.71 3m4s s THR 48 Ca 0.37 -0.88 -0.05 0.00 -1.18 0.00 0.00 61.69 59.95 3m4s s THR 48 Cb 0.20 -2.59 0.20 0.00 1.34 0.00 0.00 72.50 71.64 3m4s s THR 48 CO 0.26 0.33 1.80 -0.29 -0.54 0.00 0.00 174.62 176.18 3m4s h ILE 49 N 3.63 0.88 -0.11 2.99 6.09 -1.96 -1.42 117.51 127.61 3m4s h ILE 49 Ca -0.48 -0.24 0.04 0.00 -1.37 0.00 0.00 64.86 62.81 3m4s h ILE 49 Cb 1.17 0.12 -0.05 0.00 0.47 0.00 0.00 36.82 38.53 3m4s h ILE 49 CO 0.54 0.13 -0.16 -0.33 -3.07 0.00 0.00 178.15 175.25 3m4s h GLU 50 N 0.70 -0.21 -0.53 2.19 3.07 -1.95 -0.81 114.58 117.05 3m4s h GLU 50 Ca 0.38 0.01 -0.12 0.00 -0.50 0.00 0.00 59.36 59.13 3m4s h GLU 50 Cb 0.37 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.31 3m4s h GLU 50 CO -0.26 -0.14 -0.15 0.93 -1.40 0.00 0.00 179.01 178.00 3m4s h GLU 51 N -0.21 1.03 -0.21 2.33 5.08 -1.75 -2.29 114.58 118.56 3m4s h GLU 51 Ca 0.09 -0.41 -0.08 0.00 -1.00 0.00 0.00 59.36 57.97 3m4s h GLU 51 Cb 0.34 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3m4s h GLU 51 CO -0.24 1.10 -0.21 1.96 -1.00 0.00 0.00 179.01 180.62 3m4s h GLN 52 N 0.90 0.36 0.03 2.33 4.20 -1.19 -2.81 115.11 118.94 3m4s h GLN 52 Ca 0.13 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 3m4s h GLN 52 Cb 0.73 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.48 3m4s h GLN 52 CO 0.06 0.56 -0.01 0.77 -0.67 0.00 0.00 178.83 179.53 3m4s h SER 53 N 0.33 -0.03 -0.52 1.46 0.02 -0.67 0.21 113.55 114.34 3m4s h SER 53 Ca 0.06 -0.54 0.10 0.00 -0.84 0.00 0.00 61.79 60.57 3m4s h SER 53 Cb 0.55 0.01 -0.10 0.00 0.14 0.00 0.00 62.40 63.00 3m4s h SER 53 CO 0.04 0.54 -0.20 0.11 -1.14 0.00 0.00 176.83 176.17 3m4s h LYS 54 N -0.62 -0.08 -0.55 3.45 1.57 -1.48 -0.23 116.57 118.64 3m4s h LYS 54 Ca -0.00 0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 3m4s h LYS 54 Cb 0.57 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.88 3m4s h LYS 54 CO 0.01 -0.05 0.08 0.37 -0.57 0.00 0.00 179.45 179.28 3m4s h GLN 55 N -0.08 0.88 0.07 3.15 5.75 -1.24 -0.37 115.11 123.28 3m4s h GLN 55 Ca 0.25 -0.21 -0.00 0.00 -0.15 0.00 0.00 58.65 58.53 3m4s h GLN 55 Cb 0.46 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.90 3m4s h GLN 55 CO -0.58 0.83 -0.04 0.28 -2.65 0.00 0.00 178.83 176.67 3m4s h VAL 56 N 0.84 0.99 -0.86 2.39 2.07 0.27 0.14 116.25 122.09 3m4s h VAL 56 Ca 0.17 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 3m4s h VAL 56 Cb 0.38 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 3m4s h VAL 56 CO 0.01 0.06 0.46 0.24 0.02 0.00 0.00 177.57 178.35 3m4s h MET 57 N -0.20 1.21 -0.66 1.57 2.86 -0.66 -0.65 114.93 118.40 3m4s h MET 57 Ca -0.01 -0.15 -0.04 0.00 -2.06 0.00 0.00 59.70 57.44 3m4s h MET 57 Cb 0.17 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 31.57 3m4s h MET 57 CO 0.02 0.90 0.24 1.15 1.06 0.00 0.00 176.91 180.27 3m4s h THR 58 N 1.20 1.24 -0.19 2.22 2.02 -0.98 -0.61 112.91 117.82 3m4s h THR 58 Ca 0.30 -0.79 0.01 0.00 0.77 0.00 0.00 66.41 66.70 3m4s h THR 58 Cb 0.05 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 3m4s h THR 58 CO -0.05 0.31 0.08 0.78 0.37 0.00 0.00 175.52 177.02 3m4s h ASN 59 N 0.94 0.12 -0.43 4.18 2.35 -0.10 -0.60 115.58 122.04 3m4s h ASN 59 Ca 0.22 0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.99 3m4s h ASN 59 Cb 0.24 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 3m4s h ASN 59 CO -0.01 0.10 0.27 -0.07 -1.65 0.00 0.00 177.43 176.07 3m4s h LEU 60 N 0.19 0.47 -0.54 1.61 3.38 -0.79 -1.03 115.31 118.60 3m4s h LEU 60 Ca 0.08 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.14 3m4s h LEU 60 Cb 0.03 -0.11 -0.11 0.00 0.09 0.00 0.00 40.66 40.56 3m4s h LEU 60 CO -0.06 0.34 -0.32 0.50 0.09 0.00 0.00 178.44 178.98 3m4s h LYS 61 N 0.56 -0.17 -0.61 1.13 3.64 -0.73 0.24 116.57 120.63 3m4s h LYS 61 Ca 0.16 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.60 3m4s h LYS 61 Cb -0.05 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.76 3m4s h LYS 61 CO -0.05 -0.11 0.34 1.88 -2.27 0.00 0.00 179.45 179.24 3m4s h TYR 62 N -0.18 0.63 -0.49 1.91 0.05 0.03 -1.27 116.97 117.65 3m4s h TYR 62 Ca 0.22 0.02 -0.08 0.00 0.05 0.00 0.00 58.73 58.94 3m4s h TYR 62 Cb 0.54 -0.19 -0.02 0.00 1.01 0.00 0.00 36.73 38.07 3m4s h TYR 62 CO -0.60 0.31 -0.02 0.28 -1.05 0.00 0.00 178.16 177.08 3m4s h VAL 63 N 0.65 1.26 0.14 -2.88 2.07 -0.07 -0.56 116.25 116.85 3m4s h VAL 63 Ca 0.27 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 3m4s h VAL 63 Cb 0.14 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 3m4s h VAL 63 CO -0.16 0.39 -0.07 -0.07 0.02 0.00 0.00 177.57 177.68 3m4s h LEU 64 N 0.73 -0.15 -1.01 2.57 3.38 0.12 -1.53 115.31 119.42 3m4s h LEU 64 Ca 0.14 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 3m4s h LEU 64 Cb 0.54 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 3m4s h LEU 64 CO 0.03 0.09 -0.06 -0.33 0.09 0.00 0.00 178.44 178.26 3m4s h GLU 65 N -0.40 0.65 -0.89 1.13 5.08 -1.19 0.18 114.58 119.13 3m4s h GLU 65 Ca -0.02 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 3m4s h GLU 65 Cb 0.32 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 3m4s h GLU 65 CO 0.03 0.70 0.54 1.49 -1.00 0.00 0.00 179.01 180.77 3m4s h GLU 66 N 0.60 1.21 0.00 2.33 4.57 -0.99 -1.93 114.58 120.37 3m4s h GLU 66 Ca 0.12 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3m4s h GLU 66 Cb 0.46 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 3m4s h GLU 66 CO 0.02 0.85 0.00 0.00 -1.18 0.00 0.00 179.01 178.70 3m4s n ALA 67 N -2.40 1.80 -0.39 2.92 0.00 -0.25 -4.84 120.51 117.35 3m4s n ALA 67 Ca 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3m4s n ALA 67 Cb 0.06 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.25 3m4s n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m4s n GLY 68 N 0.18 0.75 0.00 0.00 0.00 -0.73 -5.04 105.19 100.36 3m4s n GLY 68 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3m4s n GLY 68 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3m4s n SER 69 N 0.00 0.21 -3.71 1.61 2.88 0.46 -4.83 113.62 110.25 3m4s n SER 69 Ca 0.00 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.52 3m4s n SER 69 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 3m4s n SER 69 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3m4s s SER 70 N -0.72 -0.14 0.26 -3.46 1.04 -1.26 -3.56 113.70 105.86 3m4s s SER 70 Ca 0.00 -0.37 -0.01 0.00 0.48 0.00 0.00 55.95 56.06 3m4s s SER 70 Cb 0.00 0.42 0.35 0.00 0.10 0.00 0.00 66.02 66.89 3m4s s SER 70 CO 0.00 -0.78 1.74 0.24 0.98 0.00 0.00 173.24 175.42 3m4s h MET 71 N 2.00 0.70 0.00 4.02 2.86 -1.94 -1.97 114.93 120.60 3m4s h MET 71 Ca -0.26 -0.21 -0.01 0.00 -2.06 0.00 0.00 59.70 57.16 3m4s h MET 71 Cb 1.22 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.81 3m4s h MET 71 CO 0.27 0.78 -0.03 -0.44 1.06 0.00 0.00 176.91 178.55 3m4s h ASP 72 N 0.65 0.00 -0.58 1.22 5.19 -1.96 -2.21 116.42 118.73 3m4s h ASP 72 Ca 0.12 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 3m4s h ASP 72 Cb 0.53 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.04 3m4s h ASP 72 CO 0.03 0.03 0.00 0.29 -3.12 0.00 0.00 179.24 176.47 3m4s n LYS 73 N -3.24 3.59 -2.58 3.56 5.02 -0.75 -4.92 118.16 118.84 3m4s n LYS 73 Ca -0.02 -2.81 -0.43 0.00 -2.02 0.00 0.00 58.31 53.04 3m4s n LYS 73 Cb 0.18 -1.83 -0.02 0.00 -0.02 0.00 0.00 35.03 33.34 3m4s n LYS 73 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3m4s s VAL 74 N -1.87 4.54 -0.02 -0.18 1.01 -0.83 -0.70 120.40 122.35 3m4s s VAL 74 Ca 0.48 1.86 0.11 0.00 0.00 0.00 0.00 61.98 64.42 3m4s s VAL 74 Cb 0.31 -4.21 -0.23 0.00 0.00 0.00 0.00 36.38 32.25 3m4s s VAL 74 CO 0.22 -0.18 0.75 -0.37 0.00 0.00 0.00 175.10 175.52 3m4s h VAL 75 N 5.48 0.97 -2.14 2.92 -1.51 -1.58 -3.39 116.25 117.00 3m4s h VAL 75 Ca -0.21 -2.80 -0.03 0.00 -1.23 0.00 0.00 66.70 62.43 3m4s h VAL 75 Cb 1.07 2.49 -0.22 0.00 -2.13 0.00 0.00 31.29 32.51 3m4s h VAL 75 CO 0.98 0.57 0.00 -0.75 -1.23 0.00 0.00 177.57 177.15 3m4s s LYS 76 N -2.61 0.71 0.17 5.19 2.47 -1.00 -0.97 119.74 123.69 3m4s s LYS 76 Ca -0.04 1.03 0.07 0.00 -1.56 0.00 0.00 55.97 55.46 3m4s s LYS 76 Cb 0.08 0.24 -0.04 0.00 -1.46 0.00 0.00 37.83 36.65 3m4s s LYS 76 CO 0.82 -0.12 -0.15 0.95 0.16 0.00 0.00 175.35 177.01 3m4s s THR 77 N 0.97 1.61 -0.09 3.43 -4.23 -0.47 -0.18 115.64 116.68 3m4s s THR 77 Ca -0.05 -1.99 0.01 0.00 -1.18 0.00 0.00 61.69 58.49 3m4s s THR 77 Cb -0.05 -1.84 0.02 0.00 1.34 0.00 0.00 72.50 71.97 3m4s s THR 77 CO -0.09 -0.48 -0.12 -0.89 -0.54 0.00 0.00 174.62 172.50 3m4s s THR 78 N -2.53 1.24 -0.22 3.99 2.01 -0.66 -1.94 115.64 117.53 3m4s s THR 78 Ca 0.17 -0.49 -0.02 0.00 0.31 0.00 0.00 61.69 61.66 3m4s s THR 78 Cb -0.03 -1.16 0.01 0.00 0.01 0.00 0.00 72.50 71.33 3m4s s THR 78 CO 0.05 0.39 -0.08 0.00 -0.69 0.00 0.00 174.62 174.29 3m4s s LEU 80 N 1.37 2.59 0.09 0.00 1.02 0.14 -1.73 118.68 122.16 3m4s s LEU 80 Ca 0.03 -0.39 0.10 0.00 0.02 0.00 0.00 54.13 53.89 3m4s s LEU 80 Cb -0.15 -1.58 -0.03 0.00 0.02 0.00 0.00 46.19 44.44 3m4s s LEU 80 CO -0.06 0.14 -0.26 -0.76 0.02 0.00 0.00 176.35 175.42 3m4s s LEU 81 N 0.51 2.25 0.49 1.79 1.43 -0.39 0.86 118.68 125.62 3m4s s LEU 81 Ca -0.10 -0.68 0.28 0.00 -1.03 0.00 0.00 54.13 52.61 3m4s s LEU 81 Cb -0.16 -1.24 0.87 0.00 0.03 0.00 0.00 46.19 45.69 3m4s s LEU 81 CO 0.04 0.21 1.80 0.00 0.23 0.00 0.00 176.35 178.63 3m4s h ALA 82 N 4.29 1.00 -2.72 4.21 0.00 -1.35 0.16 119.26 124.85 3m4s h ALA 82 Ca -0.49 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.29 3m4s h ALA 82 Cb 1.16 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 18.67 3m4s h ALA 82 CO 0.41 0.00 -0.36 0.34 0.00 0.00 0.00 179.25 179.64 3m4s s ASP 83 N -5.90 -0.37 0.48 0.00 -1.08 -1.26 -4.80 116.67 103.74 3m4s s ASP 83 Ca 0.04 0.81 0.27 0.00 -0.52 0.00 0.00 52.55 53.15 3m4s s ASP 83 Cb 0.07 0.77 1.10 0.00 -1.46 0.00 0.00 42.92 43.41 3m4s s ASP 83 CO 0.60 -0.20 1.90 -0.29 0.52 0.00 0.00 175.17 177.70 3m4s h ILE 84 N 5.75 0.39 0.00 4.11 6.09 -1.94 -2.46 117.51 129.45 3m4s h ILE 84 Ca -0.33 -0.88 0.00 0.00 -1.37 0.00 0.00 64.86 62.28 3m4s h ILE 84 Cb 1.16 1.65 0.00 0.00 0.47 0.00 0.00 36.82 40.10 3m4s h ILE 84 CO 0.28 0.15 0.00 0.29 -3.07 0.00 0.00 178.15 175.79 3m4s n LYS 85 N -3.32 0.16 -0.20 2.19 4.01 -1.26 -1.47 118.16 118.27 3m4s n LYS 85 Ca 0.00 0.51 0.07 0.00 -0.51 0.00 0.00 58.31 58.38 3m4s n LYS 85 Cb 0.37 -1.88 0.21 0.00 -0.51 0.00 0.00 35.03 33.22 3m4s n LYS 85 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 3m4s n ASP 86 N -2.19 2.19 0.07 4.39 8.00 -0.93 -4.55 116.55 123.54 3m4s n ASP 86 Ca 0.01 -1.97 -0.13 0.00 0.71 0.00 0.00 54.79 53.41 3m4s n ASP 86 Cb 0.14 -0.26 -0.08 0.00 -0.02 0.00 0.00 41.12 40.90 3m4s n ASP 86 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 3m4s h PHE 87 N 2.46 -0.09 -0.39 1.24 3.57 -1.45 0.16 116.94 122.43 3m4s h PHE 87 Ca 0.00 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 3m4s h PHE 87 Cb 0.56 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 3m4s h PHE 87 CO 0.26 0.02 -0.10 0.78 -2.23 0.00 0.00 178.31 177.04 3m4s h GLY 88 N -0.19 0.82 0.97 2.40 0.00 -1.83 -0.89 103.07 104.34 3m4s h GLY 88 Ca -0.01 -0.68 -0.03 0.00 0.00 0.00 0.00 47.33 46.61 3m4s h GLY 88 CO 0.02 0.62 0.19 -2.08 0.00 0.00 0.00 176.54 175.29 3m4s h VAL 89 N 0.56 1.22 0.08 4.60 2.07 -1.85 -1.75 116.25 121.19 3m4s h VAL 89 Ca 0.10 -0.69 0.02 0.00 0.82 0.00 0.00 66.70 66.95 3m4s h VAL 89 Cb 0.62 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 3m4s h VAL 89 CO 0.04 0.26 -0.25 0.15 0.02 0.00 0.00 177.57 177.78 3m4s h PHE 90 N 0.67 -0.68 -0.74 1.57 3.57 -0.55 -2.82 116.94 117.97 3m4s h PHE 90 Ca 0.17 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.78 3m4s h PHE 90 Cb 0.22 0.29 -0.05 0.00 2.79 0.00 0.00 35.95 39.20 3m4s h PHE 90 CO 0.01 -0.35 0.49 -0.91 -2.23 0.00 0.00 178.31 175.31 3m4s h ASN 91 N -0.44 0.59 -0.55 0.41 2.35 -0.68 0.26 115.58 117.52 3m4s h ASN 91 Ca 0.04 0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.73 3m4s h ASN 91 Cb 0.48 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 3m4s h ASN 91 CO -0.17 0.35 0.04 1.23 -1.65 0.00 0.00 177.43 177.24 3m4s h GLY 92 N 0.65 1.02 1.43 2.83 0.00 -1.13 0.14 103.07 108.01 3m4s h GLY 92 Ca 0.34 -0.72 -0.24 0.00 0.00 0.00 0.00 47.33 46.72 3m4s h GLY 92 CO -0.12 0.66 -0.96 -2.22 0.00 0.00 0.00 176.54 173.90 3m4s h ILE 93 N 0.83 1.36 0.24 2.60 2.04 -0.94 -2.10 117.51 121.53 3m4s h ILE 93 Ca 0.16 -2.36 0.01 0.00 1.00 0.00 0.00 64.86 63.67 3m4s h ILE 93 Cb 0.48 2.38 -0.04 0.00 -0.74 0.00 0.00 36.82 38.90 3m4s h ILE 93 CO 0.02 0.71 -0.44 0.22 0.00 0.00 0.00 178.15 178.66 3m4s h TYR 94 N 0.30 -1.24 -0.55 1.37 3.20 -0.90 -2.63 116.97 116.52 3m4s h TYR 94 Ca -0.09 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.86 3m4s h TYR 94 Cb 1.60 0.51 -0.05 0.00 1.54 0.00 0.00 36.73 40.33 3m4s h TYR 94 CO 0.07 -0.56 0.27 0.00 -1.64 0.00 0.00 178.16 176.30 3m4s h ALA 95 N -0.39 0.71 -0.76 1.82 0.00 -0.68 -1.22 119.26 118.74 3m4s h ALA 95 Ca -0.01 0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.05 3m4s h ALA 95 Cb 0.73 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.38 3m4s h ALA 95 CO -0.19 -0.09 0.37 0.93 0.00 0.00 0.00 179.25 180.27 3m4s h GLU 96 N 0.51 0.56 -0.47 0.00 5.08 -1.37 0.17 114.58 119.06 3m4s h GLU 96 Ca 0.25 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.51 3m4s h GLU 96 Cb 0.18 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3m4s h GLU 96 CO -0.19 0.37 0.02 0.00 -1.00 0.00 0.00 179.01 178.21 3m4s h ALA 97 N 1.49 1.15 0.00 3.43 0.00 -0.86 -3.20 119.26 121.28 3m4s h ALA 97 Ca 0.40 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 3m4s h ALA 97 Cb 0.51 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3m4s h ALA 97 CO -0.33 0.55 -1.47 1.19 0.00 0.00 0.00 179.25 179.20 3m4s n PHE 98 N -4.23 0.73 0.00 0.00 3.72 -0.73 -5.02 117.46 111.93 3m4s n PHE 98 Ca 0.03 0.23 0.00 0.00 -0.05 0.00 0.00 57.45 57.66 3m4s n PHE 98 Cb 0.28 -0.94 0.00 0.00 -0.94 0.00 0.00 39.48 37.88 3m4s n PHE 98 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3m4s n GLY 99 N 1.33 2.66 0.12 1.37 0.00 0.51 -2.29 105.19 108.88 3m4s n GLY 99 Ca -0.08 -0.30 0.14 0.00 0.00 0.00 0.00 46.02 45.79 3m4s n GLY 99 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3m4s n ASN 100 N 8.31 0.47 -4.79 1.61 3.02 -1.26 -4.85 115.26 117.77 3m4s n ASN 100 Ca 0.00 -0.65 -0.39 0.00 -0.03 0.00 0.00 54.58 53.51 3m4s n ASN 100 Cb 0.00 -0.07 -0.06 0.00 -0.61 0.00 0.00 39.78 39.04 3m4s n ASN 100 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3m4s s HIS 101 N -2.41 3.84 -0.51 3.10 2.46 -0.97 -5.03 115.29 115.78 3m4s s HIS 101 Ca 0.31 1.45 0.04 0.00 0.47 0.00 0.00 55.06 57.33 3m4s s HIS 101 Cb 0.20 -2.63 0.16 0.00 -0.13 0.00 0.00 32.58 30.18 3m4s s HIS 101 CO 0.46 0.54 0.38 0.15 -2.47 0.00 0.00 174.74 173.79 3m4s s LYS 102 N -1.20 1.48 0.97 2.88 1.02 -1.26 -4.81 119.74 118.81 3m4s s LYS 102 Ca 0.33 -2.50 -0.11 0.00 0.02 0.00 0.00 55.97 53.71 3m4s s LYS 102 Cb -0.21 -2.21 0.17 0.00 -0.52 0.00 0.00 37.83 35.06 3m4s s LYS 102 CO 0.23 -1.32 1.10 -2.14 -0.92 0.00 0.00 175.35 172.29 3m4s s PRO 103 N -0.40 0.65 0.81 -1.68 0.02 -1.26 -5.01 135.00 128.12 3m4s s PRO 103 Ca 0.28 1.19 -0.11 0.00 0.02 0.00 0.00 61.00 62.38 3m4s s PRO 103 Cb -0.03 -1.71 0.08 0.00 0.02 0.00 0.00 34.50 32.86 3m4s s PRO 103 CO -0.16 -2.77 1.10 0.00 -0.33 0.00 0.00 177.00 174.84 3m4s s ALA 104 N -2.68 2.02 -0.18 -1.55 0.00 -0.15 -4.91 121.76 114.32 3m4s s ALA 104 Ca 0.66 0.26 -0.22 0.00 0.00 0.00 0.00 51.96 52.65 3m4s s ALA 104 Cb -0.22 -3.28 0.06 0.00 0.00 0.00 0.00 23.12 19.67 3m4s s ALA 104 CO 0.59 -2.01 0.60 0.50 0.00 0.00 0.00 175.76 175.44 3m4s s ARG 105 N -4.87 0.77 -0.00 0.00 3.52 -1.26 -1.36 118.95 115.75 3m4s s ARG 105 Ca 0.62 0.65 0.03 0.00 -0.13 0.00 0.00 55.73 56.90 3m4s s ARG 105 Cb -0.18 0.37 -0.01 0.00 -1.56 0.00 0.00 34.95 33.57 3m4s s ARG 105 CO 0.57 -0.14 -0.10 0.00 -0.81 0.00 0.00 175.30 174.82 3m4s s ALA 106 N -0.10 0.82 -0.03 6.12 0.00 -0.82 -4.98 121.76 122.77 3m4s s ALA 106 Ca -0.03 -0.46 -0.01 0.00 0.00 0.00 0.00 51.96 51.46 3m4s s ALA 106 Cb -0.03 -0.19 0.02 0.00 0.00 0.00 0.00 23.12 22.91 3m4s s ALA 106 CO 0.03 0.19 0.06 0.00 0.00 0.00 0.00 175.76 176.04 3m4s s PHE 108 N 0.56 -0.26 -0.29 0.00 -0.12 -0.71 -4.98 117.98 112.19 3m4s s PHE 108 Ca -0.04 -0.15 -0.08 0.00 -0.05 0.00 0.00 56.93 56.61 3m4s s PHE 108 Cb -0.06 0.68 -0.00 0.00 -0.63 0.00 0.00 43.02 43.00 3m4s s PHE 108 CO -0.02 -1.15 0.09 0.00 -0.05 0.00 0.00 175.22 174.10 3m4s s ALA 109 N -3.86 3.14 0.70 1.99 0.00 -1.26 -1.26 121.76 121.20 3m4s s ALA 109 Ca 0.09 -1.35 -0.12 0.00 0.00 0.00 0.00 51.96 50.58 3m4s s ALA 109 Cb -0.05 -2.18 0.02 0.00 0.00 0.00 0.00 23.12 20.91 3m4s s ALA 109 CO 0.03 -0.80 1.08 0.00 0.00 0.00 0.00 175.76 176.07 3m4s s ALA 110 N 1.56 2.48 0.31 0.00 0.00 0.54 -4.91 121.76 121.75 3m4s s ALA 110 Ca 0.04 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.32 3m4s s ALA 110 Cb -0.17 -3.25 0.49 0.00 0.00 0.00 0.00 23.12 20.19 3m4s s ALA 110 CO 0.04 -1.37 1.89 0.00 0.00 0.00 0.00 175.76 176.31 3m4s h ALA 111 N -0.51 1.33 -1.90 0.00 0.00 -1.89 -3.41 119.26 112.88 3m4s h ALA 111 Ca -0.45 -0.16 0.20 0.00 0.00 0.00 0.00 54.91 54.51 3m4s h ALA 111 Cb 1.23 -0.22 -0.15 0.00 0.00 0.00 0.00 17.79 18.65 3m4s h ALA 111 CO 0.54 0.50 0.65 0.00 0.00 0.00 0.00 179.25 180.93 3m4s s ALA 112 N -5.34 -1.94 0.27 0.00 0.00 -1.26 -4.98 121.76 108.50 3m4s s ALA 112 Ca -0.10 0.99 0.08 0.00 0.00 0.00 0.00 51.96 52.93 3m4s s ALA 112 Cb 0.16 0.28 -0.05 0.00 0.00 0.00 0.00 23.12 23.51 3m4s s ALA 112 CO 0.79 -0.78 -0.10 -0.51 0.00 0.00 0.00 175.76 175.15 3m4s s LEU 113 N -2.55 2.54 0.56 0.00 1.43 -1.26 -5.02 118.68 114.38 3m4s s LEU 113 Ca 0.09 -1.13 -0.20 0.00 -1.03 0.00 0.00 54.13 51.86 3m4s s LEU 113 Cb -0.00 -0.73 -0.04 0.00 0.03 0.00 0.00 46.19 45.45 3m4s s LEU 113 CO -0.05 -0.25 1.24 -2.84 0.23 0.00 0.00 176.35 174.68 3m4s s PRO 114 N -3.67 3.13 -1.88 1.29 0.02 -1.26 -2.52 135.00 130.10 3m4s s PRO 114 Ca 0.28 1.92 0.00 0.00 0.02 0.00 0.00 61.00 63.22 3m4s s PRO 114 Cb 0.02 -2.08 0.00 0.00 0.02 0.00 0.00 34.50 32.46 3m4s s PRO 114 CO 0.11 -1.11 0.00 1.63 -0.33 0.00 0.00 177.00 177.31 3m4s n LYS 115 N -1.29 -1.37 -1.00 5.54 4.01 -1.26 -2.00 118.16 120.79 3m4s n LYS 115 Ca 0.12 1.09 0.00 0.00 -0.51 0.00 0.00 58.31 59.01 3m4s n LYS 115 Cb 0.48 -5.47 0.00 0.00 -0.51 0.00 0.00 35.03 29.54 3m4s n LYS 115 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3m4s n GLY 116 N -0.77 0.31 3.67 0.72 0.00 -1.05 -4.97 105.19 103.11 3m4s n GLY 116 Ca -0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 3m4s n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m4s n ALA 117 N 1.00 0.96 0.45 4.61 0.00 -0.85 -4.89 120.51 121.80 3m4s n ALA 117 Ca 0.00 0.36 0.12 0.00 0.00 0.00 0.00 53.44 53.92 3m4s n ALA 117 Cb 0.19 -2.20 0.17 0.00 0.00 0.00 0.00 19.45 17.60 3m4s n ALA 117 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3m4s h LEU 118 N 2.40 0.00 -7.23 0.00 3.38 -1.93 -3.37 115.31 108.57 3m4s h LEU 118 Ca -0.45 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.31 3m4s h LEU 118 Cb 1.30 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.83 3m4s h LEU 118 CO 0.62 0.06 -0.08 0.54 0.09 0.00 0.00 178.44 179.67 3m4s s VAL 119 N -3.20 0.01 -0.03 1.22 0.11 -1.26 -1.10 120.40 116.15 3m4s s VAL 119 Ca 0.06 -0.10 -0.02 0.00 -2.93 0.00 0.00 61.98 58.98 3m4s s VAL 119 Cb 0.12 -0.76 0.02 0.00 -1.53 0.00 0.00 36.38 34.23 3m4s s VAL 119 CO 0.71 -0.06 0.08 -0.70 -3.33 0.00 0.00 175.10 171.80 3m4s s GLU 120 N -0.37 0.06 -0.05 1.54 2.12 0.25 -4.25 118.70 118.00 3m4s s GLU 120 Ca -0.05 0.18 0.01 0.00 0.36 0.00 0.00 54.97 55.46 3m4s s GLU 120 Cb -0.03 -0.07 0.02 0.00 0.26 0.00 0.00 34.13 34.31 3m4s s GLU 120 CO 0.03 -0.08 -0.05 0.08 -0.54 0.00 0.00 175.26 174.70 3m4s s VAL 121 N 0.51 0.60 0.41 3.70 1.01 -0.45 0.23 120.40 126.41 3m4s s VAL 121 Ca -0.04 -0.16 0.07 0.00 0.00 0.00 0.00 61.98 61.85 3m4s s VAL 121 Cb -0.06 -0.61 -0.07 0.00 0.00 0.00 0.00 36.38 35.64 3m4s s VAL 121 CO -0.02 0.24 0.04 -1.83 0.00 0.00 0.00 175.10 173.53 3m4s s GLU 122 N 0.90 2.00 0.02 2.72 -1.05 -0.69 -0.15 118.70 122.45 3m4s s GLU 122 Ca -0.11 -2.05 -0.28 0.00 -0.15 0.00 0.00 54.97 52.37 3m4s s GLU 122 Cb -0.14 -1.71 0.10 0.00 -0.44 0.00 0.00 34.13 31.94 3m4s s GLU 122 CO 0.00 -0.05 0.85 0.00 0.95 0.00 0.00 175.26 177.01 3m4s s ILE 124 N -3.16 2.73 0.19 0.00 1.01 0.75 -0.71 121.20 122.00 3m4s s ILE 124 Ca 0.04 -1.10 -0.05 0.00 0.00 0.00 0.00 60.65 59.53 3m4s s ILE 124 Cb -0.01 -2.11 -0.03 0.00 0.01 0.00 0.00 42.46 40.32 3m4s s ILE 124 CO -0.09 0.41 0.22 0.00 0.00 0.00 0.00 174.94 175.48 3m4s s ALA 125 N -0.85 0.54 0.32 9.38 0.00 0.26 -1.42 121.76 129.99 3m4s s ALA 125 Ca 0.13 -1.29 0.07 0.00 0.00 0.00 0.00 51.96 50.87 3m4s s ALA 125 Cb -0.10 1.09 -0.03 0.00 0.00 0.00 0.00 23.12 24.08 3m4s s ALA 125 CO 0.04 -0.64 0.30 -0.08 0.00 0.00 0.00 175.76 175.39 3m4s s THR 126 N -4.06 3.76 -2.96 0.00 -1.32 0.12 0.10 115.64 111.28 3m4s s THR 126 Ca 0.27 -1.32 0.24 0.00 -1.21 0.00 0.00 61.69 59.68 3m4s s THR 126 Cb 0.05 -3.26 0.22 0.00 -1.51 0.00 0.00 72.50 68.00 3m4s s THR 126 CO 0.06 -0.20 1.30 0.18 -2.21 0.00 0.00 174.62 173.76