#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 3.57 -0.11 3.14 1.43 -1.26 -4.44 118.68 121.01 3m4s s LEU 4 Ca 0.00 0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.19 3m4s s LEU 4 Cb 0.00 -1.84 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 3m4s s LEU 4 CO 0.00 0.30 -0.13 -0.89 0.23 0.00 0.00 176.35 175.86 3m4s s THR 5 N -0.41 3.10 0.02 5.49 2.01 -0.94 -4.94 115.64 119.96 3m4s s THR 5 Ca 0.08 -0.66 -0.30 0.00 0.31 0.00 0.00 61.69 61.12 3m4s s THR 5 Cb -0.12 -2.28 -0.04 0.00 0.01 0.00 0.00 72.50 70.07 3m4s s THR 5 CO 0.02 0.54 1.03 -0.69 -0.69 0.00 0.00 174.62 174.83 3m4s s VAL 6 N 0.09 4.68 -0.19 3.82 1.01 -1.26 -0.73 120.40 127.81 3m4s s VAL 6 Ca -0.05 1.93 -0.11 0.00 0.00 0.00 0.00 61.98 63.75 3m4s s VAL 6 Cb -0.15 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 31.95 3m4s s VAL 6 CO 0.04 0.15 0.16 -0.69 0.00 0.00 0.00 175.10 174.76 3m4s s VAL 7 N 1.00 5.40 -0.34 2.92 1.01 0.17 -4.95 120.40 125.61 3m4s s VAL 7 Ca 0.53 0.25 -0.01 0.00 0.00 0.00 0.00 61.98 62.76 3m4s s VAL 7 Cb -0.23 -3.49 0.13 0.00 0.00 0.00 0.00 36.38 32.79 3m4s s VAL 7 CO 0.28 0.44 0.19 0.00 0.00 0.00 0.00 175.10 176.01 3m4s s ALA 8 N 0.32 0.89 -0.01 5.51 0.00 -1.26 -3.87 121.76 123.34 3m4s s ALA 8 Ca 0.10 -1.70 -0.30 0.00 0.00 0.00 0.00 51.96 50.06 3m4s s ALA 8 Cb -0.11 -1.56 -0.04 0.00 0.00 0.00 0.00 23.12 21.40 3m4s s ALA 8 CO -0.01 -2.00 1.20 0.45 0.00 0.00 0.00 175.76 175.40 3m4s s SER 9 N 1.30 7.07 0.00 0.00 0.15 -1.26 -4.91 113.70 116.05 3m4s s SER 9 Ca 0.16 1.88 0.17 0.00 0.70 0.00 0.00 55.95 58.86 3m4s s SER 9 Cb -0.21 -2.57 1.01 0.00 -1.71 0.00 0.00 66.02 62.54 3m4s s SER 9 CO -0.08 -0.54 1.46 -0.81 1.20 0.00 0.00 173.24 174.47 3m4s n PRO 10 N 4.75 0.48 -0.04 5.44 -0.04 -1.26 -2.94 135.00 141.39 3m4s n PRO 10 Ca 0.10 0.03 -0.12 0.00 -0.04 0.00 0.00 63.50 63.47 3m4s n PRO 10 Cb 0.46 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.28 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 -1.06 1.18 -4.92 1.53 4.77 -1.26 -4.94 117.00 112.29 3m4s n LEU 11 Ca 0.12 0.25 -0.26 0.00 -0.03 0.00 0.00 56.01 56.08 3m4s n LEU 11 Cb 0.08 -0.08 0.05 0.00 -2.33 0.00 0.00 43.42 41.13 3m4s n LEU 11 CO 0.11 0.54 0.57 0.00 -1.33 0.00 0.00 177.39 177.28 3m4s s ALA 12 N -2.56 3.24 0.17 -1.18 0.00 -1.15 -4.48 121.76 115.80 3m4s s ALA 12 Ca -0.11 -0.81 -0.33 0.00 0.00 0.00 0.00 51.96 50.70 3m4s s ALA 12 Cb 0.07 -2.60 -0.15 0.00 0.00 0.00 0.00 23.12 20.45 3m4s s ALA 12 CO 0.80 -1.04 1.28 -2.30 0.00 0.00 0.00 175.76 174.50 3m4s n PRO 13 N -2.75 1.43 -1.98 0.00 -0.02 -1.26 -4.77 135.00 125.65 3m4s n PRO 13 Ca 0.06 0.51 -0.38 0.00 -2.02 0.00 0.00 63.50 61.67 3m4s n PRO 13 Cb 0.59 -2.09 0.01 0.00 -0.02 0.00 0.00 33.50 31.99 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 -0.13 3.59 -1.05 -0.52 2.12 -1.26 -4.90 118.70 116.56 3m4s s GLU 14 Ca 0.75 2.12 -0.22 0.00 0.36 0.00 0.00 54.97 57.97 3m4s s GLU 14 Cb -0.81 -2.48 0.06 0.00 0.26 0.00 0.00 34.13 31.16 3m4s s GLU 14 CO 0.49 -0.79 1.45 0.00 -0.54 0.00 0.00 175.26 175.88 3m4s s ALA 15 N -1.34 2.88 -0.52 6.30 0.00 -1.26 -4.96 121.76 122.86 3m4s s ALA 15 Ca 0.64 -2.41 -0.20 0.00 0.00 0.00 0.00 51.96 49.99 3m4s s ALA 15 Cb -0.37 -4.49 0.06 0.00 0.00 0.00 0.00 23.12 18.32 3m4s s ALA 15 CO 0.46 -3.50 0.69 0.14 0.00 0.00 0.00 175.76 173.54 3m4s s VAL 16 N 4.59 4.78 0.00 0.00 -7.23 -1.26 -4.88 120.40 116.41 3m4s s VAL 16 Ca 0.46 -0.37 0.00 0.00 -1.81 0.00 0.00 61.98 60.26 3m4s s VAL 16 Cb -0.00 -4.35 0.00 0.00 0.56 0.00 0.00 36.38 32.59 3m4s s VAL 16 CO -0.08 -0.88 0.00 0.61 -0.31 0.00 0.00 175.10 174.45 3m4s n GLY 17 N 5.17 0.43 1.72 2.32 0.00 -1.26 -4.84 105.19 108.73 3m4s n GLY 17 Ca -0.05 -2.29 -0.07 0.00 0.00 0.00 0.00 46.02 43.60 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 -0.99 4.73 -2.25 4.61 0.00 -1.26 -4.79 120.51 120.56 3m4s n ALA 18 Ca 0.00 -0.84 -0.11 0.00 0.00 0.00 0.00 53.44 52.49 3m4s n ALA 18 Cb 0.00 -1.33 -0.10 0.00 0.00 0.00 0.00 19.45 18.03 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 -0.46 1.00 0.28 0.00 -0.85 -1.26 -5.16 117.35 110.89 3m4s s TYR 19 Ca 0.20 -1.28 0.11 0.00 -0.52 0.00 0.00 57.07 55.58 3m4s s TYR 19 Cb 0.13 -0.48 -0.05 0.00 0.38 0.00 0.00 41.96 41.94 3m4s s TYR 19 CO -0.01 -0.62 -0.11 -1.12 -1.52 0.00 0.00 175.55 172.16 3m4s s SER 20 N -3.11 4.00 0.30 -0.18 0.01 -1.26 -4.76 113.70 108.69 3m4s s SER 20 Ca 0.33 -0.88 0.02 0.00 1.31 0.00 0.00 55.95 56.73 3m4s s SER 20 Cb 0.07 -0.53 0.58 0.00 0.21 0.00 0.00 66.02 66.35 3m4s s SER 20 CO 0.08 0.01 1.86 1.56 0.41 0.00 0.00 173.24 177.16 3m4s h GLN 21 N 2.09 0.95 -1.60 12.44 4.20 -1.92 -3.40 115.11 127.87 3m4s h GLN 21 Ca -0.42 -0.06 0.10 0.00 0.06 0.00 0.00 58.65 58.33 3m4s h GLN 21 Cb 1.26 -0.21 -0.22 0.00 0.30 0.00 0.00 27.48 28.60 3m4s h GLN 21 CO 0.61 0.63 0.57 0.00 -0.67 0.00 0.00 178.83 179.96 3m4s s ALA 22 N -5.91 -1.94 -0.08 3.87 0.00 -1.25 -0.03 121.76 116.42 3m4s s ALA 22 Ca -0.12 1.55 0.03 0.00 0.00 0.00 0.00 51.96 53.43 3m4s s ALA 22 Cb 0.22 -0.63 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 3m4s s ALA 22 CO 0.80 -0.35 -0.18 0.42 0.00 0.00 0.00 175.76 176.46 3m4s s ILE 23 N -1.32 2.70 -0.08 0.00 -1.09 -0.43 -0.66 121.20 120.32 3m4s s ILE 23 Ca -0.00 -0.82 -0.18 0.00 -2.23 0.00 0.00 60.65 57.41 3m4s s ILE 23 Cb -0.01 -2.06 -0.05 0.00 -1.58 0.00 0.00 42.46 38.77 3m4s s ILE 23 CO 0.00 0.56 0.48 -0.63 -1.23 0.00 0.00 174.94 174.12 3m4s s ILE 24 N -0.15 5.12 -0.13 2.92 1.01 0.09 -1.07 121.20 128.98 3m4s s ILE 24 Ca -0.02 0.98 -0.15 0.00 0.00 0.00 0.00 60.65 61.46 3m4s s ILE 24 Cb -0.14 -3.82 0.04 0.00 0.01 0.00 0.00 42.46 38.56 3m4s s ILE 24 CO 0.04 0.38 0.41 0.00 0.00 0.00 0.00 174.94 175.77 3m4s n ASN 26 N 2.56 -0.89 -0.32 0.00 2.04 -1.26 -0.41 115.26 116.98 3m4s n ASN 26 Ca -0.15 -0.70 -0.04 0.00 -0.44 0.00 0.00 54.58 53.25 3m4s n ASN 26 Cb 0.57 -0.86 -0.02 0.00 -2.53 0.00 0.00 39.78 36.95 3m4s n ASN 26 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3m4s n GLY 27 N -1.71 0.65 3.06 4.83 0.00 -1.26 -5.03 105.19 105.73 3m4s n GLY 27 Ca -0.12 -0.88 -0.10 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.49 0.52 -0.20 1.61 1.00 0.45 -2.79 119.30 117.39 3m4s s MET 28 Ca 0.00 -0.92 0.02 0.00 0.00 0.00 0.00 55.69 54.79 3m4s s MET 28 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 34.83 34.87 3m4s s MET 28 CO 0.00 -0.04 -0.17 0.08 0.00 0.00 0.00 175.02 174.89 3m4s s VAL 29 N -2.44 2.09 -0.39 -6.03 1.01 0.15 0.20 120.40 114.99 3m4s s VAL 29 Ca -0.04 -1.13 -0.14 0.00 0.00 0.00 0.00 61.98 60.67 3m4s s VAL 29 Cb -0.03 -1.97 0.01 0.00 0.00 0.00 0.00 36.38 34.39 3m4s s VAL 29 CO -0.04 0.38 0.28 -0.31 0.00 0.00 0.00 175.10 175.41 3m4s s TYR 30 N 1.24 3.24 -0.15 5.22 2.02 -0.23 -0.60 117.35 128.07 3m4s s TYR 30 Ca 0.01 -0.54 -0.11 0.00 -0.37 0.00 0.00 57.07 56.07 3m4s s TYR 30 Cb -0.15 -2.55 -0.05 0.00 -0.40 0.00 0.00 41.96 38.82 3m4s s TYR 30 CO -0.11 -0.54 0.20 0.00 -1.57 0.00 0.00 175.55 173.53 3m4s n SER 32 N 2.99 -0.84 -4.57 0.00 7.64 0.95 -3.33 113.62 116.48 3m4s n SER 32 Ca -0.16 0.26 -0.41 0.00 1.01 0.00 0.00 58.87 59.57 3m4s n SER 32 Cb 0.53 -1.33 -0.03 0.00 -1.01 0.00 0.00 64.21 62.37 3m4s n SER 32 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3m4s s GLY 33 N -2.38 0.65 0.39 0.23 0.00 -1.26 -4.33 107.32 100.62 3m4s s GLY 33 Ca 0.64 -0.51 -0.25 0.00 0.00 0.00 0.00 44.72 44.60 3m4s s GLY 33 CO 0.62 3.08 1.10 1.20 0.00 0.00 0.00 173.10 179.11 3m4s s GLN 34 N 6.03 4.15 0.54 2.90 -1.52 0.15 -4.72 119.66 127.19 3m4s s GLN 34 Ca 0.62 1.67 0.04 0.00 -1.95 0.00 0.00 55.36 55.73 3m4s s GLN 34 Cb -0.13 -2.65 0.03 0.00 -0.22 0.00 0.00 33.01 30.04 3m4s s GLN 34 CO 0.25 -0.19 0.26 0.96 -0.25 0.00 0.00 175.29 176.32 3m4s s ILE 35 N -1.51 1.40 -0.13 1.08 -4.36 -1.26 -1.62 121.20 114.79 3m4s s ILE 35 Ca 0.56 -1.68 -0.02 0.00 -0.26 0.00 0.00 60.65 59.26 3m4s s ILE 35 Cb -0.26 -2.08 0.01 0.00 1.25 0.00 0.00 42.46 41.38 3m4s s ILE 35 CO 0.33 0.00 2.38 0.61 0.24 0.00 0.00 174.94 178.51 3m4s n GLY 36 N -1.61 3.20 3.79 6.27 0.00 -1.26 -4.42 105.19 111.16 3m4s n GLY 36 Ca -0.09 -0.70 -0.37 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.70 4.41 -0.32 0.99 1.43 -1.26 -1.53 118.68 121.70 3m4s s LEU 37 Ca 0.26 1.67 -0.09 0.00 -1.03 0.00 0.00 54.13 54.94 3m4s s LEU 37 Cb 0.16 -3.72 -0.00 0.00 0.03 0.00 0.00 46.19 42.67 3m4s s LEU 37 CO -0.02 0.03 0.15 -0.62 0.23 0.00 0.00 176.35 176.12 3m4s s ASP 38 N -1.52 5.53 0.13 2.29 2.15 0.13 -4.66 116.67 120.72 3m4s s ASP 38 Ca 0.45 -0.62 -0.24 0.00 0.43 0.00 0.00 52.55 52.57 3m4s s ASP 38 Cb -0.19 -1.99 -0.03 0.00 -0.30 0.00 0.00 42.92 40.41 3m4s s ASP 38 CO 0.24 -0.22 1.65 -0.09 -0.17 0.00 0.00 175.17 176.58 3m4s h ARG 39 N 8.35 -0.27 -1.35 4.34 9.65 -1.85 1.39 114.38 134.64 3m4s h ARG 39 Ca -0.31 0.02 0.39 0.00 -1.10 0.00 0.00 59.98 58.98 3m4s h ARG 39 Cb 1.14 0.06 -0.06 0.00 -1.39 0.00 0.00 29.97 29.72 3m4s h ARG 39 CO 0.62 -0.18 0.97 0.87 2.80 0.00 0.00 179.97 185.05 3m4s h LYS 40 N -0.28 0.01 0.00 0.20 1.57 -1.93 -0.01 116.57 116.13 3m4s h LYS 40 Ca 0.08 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 3m4s h LYS 40 Cb 0.40 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 3m4s h LYS 40 CO -0.24 0.00 -1.50 0.25 -0.57 0.00 0.00 179.45 177.39 3m4s n THR 41 N -4.14 0.12 -0.99 -0.16 -2.24 -0.89 -5.01 114.28 100.98 3m4s n THR 41 Ca 0.30 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 3m4s n THR 41 Cb 1.41 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.71 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 2.02 0.91 3.45 3.38 0.00 0.47 -5.00 105.19 110.42 3m4s n GLY 42 Ca -0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.82 2.32 -0.19 1.61 -1.08 -1.14 -4.84 116.67 110.53 3m4s s ASP 43 Ca 0.00 -1.48 -0.38 0.00 -0.52 0.00 0.00 52.55 50.17 3m4s s ASP 43 Cb 0.00 0.16 -0.14 0.00 -1.46 0.00 0.00 42.92 41.48 3m4s s ASP 43 CO 0.00 -0.74 1.78 0.49 0.52 0.00 0.00 175.17 177.22 3m4s n PHE 44 N -0.73 2.15 -0.37 -5.34 3.72 -1.26 0.21 117.46 115.84 3m4s n PHE 44 Ca -0.03 0.33 0.27 0.00 -0.05 0.00 0.00 57.45 57.97 3m4s n PHE 44 Cb 0.66 -2.53 0.54 0.00 -0.94 0.00 0.00 39.48 37.20 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 7.87 2.28 -2.88 4.37 0.00 -1.58 -3.44 119.26 125.88 3m4s h ALA 45 Ca -0.47 0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.59 3m4s h ALA 45 Cb 1.30 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 3m4s h ALA 45 CO 0.95 -0.83 0.35 0.20 0.00 0.00 0.00 179.25 179.92 3m4s s GLY 46 N -4.09 0.29 0.00 0.00 0.00 -1.26 -4.96 107.32 97.31 3m4s s GLY 46 Ca -0.09 -0.64 0.25 0.00 0.00 0.00 0.00 44.72 44.25 3m4s s GLY 46 CO 0.80 0.36 1.43 0.28 0.00 0.00 0.00 173.10 175.96 3m4s n LYS 47 N -0.57 1.49 -4.22 2.90 4.76 -1.26 -4.62 118.16 116.63 3m4s n LYS 47 Ca -0.07 -1.07 -0.32 0.00 -2.87 0.00 0.00 58.31 53.99 3m4s n LYS 47 Cb 0.60 -1.48 -0.08 0.00 -1.84 0.00 0.00 35.03 32.23 3m4s n LYS 47 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3m4s s THR 48 N -2.25 4.10 0.33 -0.18 -4.23 -1.26 -4.98 115.64 107.17 3m4s s THR 48 Ca 0.27 -0.76 0.11 0.00 -1.18 0.00 0.00 61.69 60.14 3m4s s THR 48 Cb 0.20 -2.88 0.33 0.00 1.34 0.00 0.00 72.50 71.48 3m4s s THR 48 CO 0.43 0.27 1.74 -0.29 -0.54 0.00 0.00 174.62 176.23 3m4s h ILE 49 N 3.25 0.53 -0.01 2.99 6.09 -1.97 -1.82 117.51 126.57 3m4s h ILE 49 Ca -0.48 -0.19 -0.00 0.00 -1.37 0.00 0.00 64.86 62.82 3m4s h ILE 49 Cb 1.17 -0.06 -0.00 0.00 0.47 0.00 0.00 36.82 38.40 3m4s h ILE 49 CO 0.59 0.10 -0.00 -0.33 -3.07 0.00 0.00 178.15 175.43 3m4s h GLU 50 N 0.55 0.03 -0.81 2.19 3.07 -1.95 -0.59 114.58 117.07 3m4s h GLU 50 Ca 0.64 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 59.46 3m4s h GLU 50 Cb 1.28 -0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 29.15 3m4s h GLU 50 CO -0.44 0.39 0.39 0.93 -1.40 0.00 0.00 179.01 178.88 3m4s h GLU 51 N -0.34 1.15 -0.45 2.33 5.08 -1.85 -1.93 114.58 118.57 3m4s h GLU 51 Ca 0.00 -0.16 -0.07 0.00 -1.00 0.00 0.00 59.36 58.13 3m4s h GLU 51 Cb 0.38 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3m4s h GLU 51 CO 0.00 0.88 -0.02 1.96 -1.00 0.00 0.00 179.01 180.83 3m4s h GLN 52 N 1.15 0.75 -0.25 2.33 4.20 -1.24 -2.21 115.11 119.84 3m4s h GLN 52 Ca 0.28 -0.21 -0.20 0.00 0.06 0.00 0.00 58.65 58.58 3m4s h GLN 52 Cb 0.11 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.80 3m4s h GLN 52 CO -0.04 0.78 -0.62 0.77 -0.67 0.00 0.00 178.83 179.05 3m4s h SER 53 N 0.70 0.96 -0.34 1.46 0.02 -0.84 0.12 113.55 115.62 3m4s h SER 53 Ca 0.14 -0.55 0.03 0.00 -0.84 0.00 0.00 61.79 60.56 3m4s h SER 53 Cb 0.46 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 3m4s h SER 53 CO 0.02 1.35 0.16 0.11 -1.14 0.00 0.00 176.83 177.33 3m4s h LYS 54 N 0.63 0.33 -0.21 3.45 1.57 -1.29 -0.96 116.57 120.08 3m4s h LYS 54 Ca -0.01 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.65 3m4s h LYS 54 Cb 1.23 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 3m4s h LYS 54 CO 0.13 0.22 -0.31 0.37 -0.57 0.00 0.00 179.45 179.29 3m4s h GLN 55 N 0.34 0.43 -0.06 3.15 5.75 -1.29 -0.91 115.11 122.52 3m4s h GLN 55 Ca 0.15 -0.18 -0.01 0.00 -0.15 0.00 0.00 58.65 58.45 3m4s h GLN 55 Cb 0.07 -0.02 -0.00 0.00 1.07 0.00 0.00 27.48 28.60 3m4s h GLN 55 CO -0.11 0.70 -0.00 0.28 -2.65 0.00 0.00 178.83 177.05 3m4s h VAL 56 N 0.38 1.26 -0.67 2.39 2.07 -0.26 0.74 116.25 122.16 3m4s h VAL 56 Ca 0.05 -0.79 -0.04 0.00 0.82 0.00 0.00 66.70 66.74 3m4s h VAL 56 Cb 0.74 1.67 -0.03 0.00 -1.52 0.00 0.00 31.29 32.15 3m4s h VAL 56 CO 0.06 0.22 0.27 0.24 0.02 0.00 0.00 177.57 178.38 3m4s h MET 57 N -0.19 0.97 -0.44 1.57 2.86 -1.03 -0.42 114.93 118.25 3m4s h MET 57 Ca 0.02 -0.16 -0.09 0.00 -2.06 0.00 0.00 59.70 57.41 3m4s h MET 57 Cb 0.35 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 3m4s h MET 57 CO 0.00 0.79 -0.09 1.15 1.06 0.00 0.00 176.91 179.82 3m4s h THR 58 N 0.96 1.27 0.30 2.22 2.02 -1.05 -1.97 112.91 116.67 3m4s h THR 58 Ca 0.23 -1.19 0.00 0.00 0.77 0.00 0.00 66.41 66.22 3m4s h THR 58 Cb 0.17 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 3m4s h THR 58 CO -0.02 0.41 -0.33 0.78 0.37 0.00 0.00 175.52 176.73 3m4s h ASN 59 N 0.66 -0.89 -1.00 4.18 2.35 -0.28 0.07 115.58 120.67 3m4s h ASN 59 Ca 0.11 0.08 0.24 0.00 -0.55 0.00 0.00 56.30 56.19 3m4s h ASN 59 Cb 0.62 0.31 -0.12 0.00 0.05 0.00 0.00 38.32 39.18 3m4s h ASN 59 CO 0.04 -0.46 0.60 -0.07 -1.65 0.00 0.00 177.43 175.89 3m4s h LEU 60 N -0.67 0.69 0.03 1.61 3.38 -1.02 -1.22 115.31 118.11 3m4s h LEU 60 Ca -0.01 0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3m4s h LEU 60 Cb 0.62 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.39 3m4s h LEU 60 CO -0.08 0.12 -0.01 0.50 0.09 0.00 0.00 178.44 179.05 3m4s h LYS 61 N 0.60 -0.04 -0.99 1.13 3.64 -0.43 0.29 116.57 120.77 3m4s h LYS 61 Ca 0.64 0.00 0.17 0.00 -1.27 0.00 0.00 60.65 60.19 3m4s h LYS 61 Cb 1.20 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.94 3m4s h LYS 61 CO -0.47 0.28 0.61 1.88 -2.27 0.00 0.00 179.45 179.48 3m4s h TYR 62 N -0.35 1.02 0.00 1.91 0.05 -0.16 0.44 116.97 119.88 3m4s h TYR 62 Ca -0.00 0.03 -0.11 0.00 0.05 0.00 0.00 58.73 58.69 3m4s h TYR 62 Cb 0.33 -0.31 0.01 0.00 1.01 0.00 0.00 36.73 37.77 3m4s h TYR 62 CO 0.03 0.29 -0.44 0.28 -1.05 0.00 0.00 178.16 177.27 3m4s h VAL 63 N 0.79 1.48 0.13 -2.88 2.07 -0.96 0.46 116.25 117.34 3m4s h VAL 63 Ca 0.54 -2.03 0.00 0.00 0.82 0.00 0.00 66.70 66.03 3m4s h VAL 63 Cb 0.81 2.69 -0.01 0.00 -1.52 0.00 0.00 31.29 33.25 3m4s h VAL 63 CO -0.32 0.57 -0.11 -0.07 0.02 0.00 0.00 177.57 177.67 3m4s h LEU 64 N -0.29 -0.28 -0.94 2.57 3.38 0.53 -1.31 115.31 118.97 3m4s h LEU 64 Ca -0.06 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 3m4s h LEU 64 Cb 1.18 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 3m4s h LEU 64 CO 0.09 -0.17 0.00 -0.33 0.09 0.00 0.00 178.44 178.12 3m4s h GLU 65 N -0.25 0.77 -0.38 1.13 5.08 -0.20 -0.65 114.58 120.08 3m4s h GLU 65 Ca -0.00 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 3m4s h GLU 65 Cb 0.23 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 3m4s h GLU 65 CO -0.02 0.78 0.19 1.49 -1.00 0.00 0.00 179.01 180.46 3m4s h GLU 66 N 0.73 0.53 0.00 2.33 4.57 -0.44 -1.36 114.58 120.93 3m4s h GLU 66 Ca 0.14 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 3m4s h GLU 66 Cb 0.44 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 3m4s h GLU 66 CO 0.02 0.41 0.00 0.00 -1.18 0.00 0.00 179.01 178.26 3m4s n ALA 67 N -2.48 2.35 -0.75 2.92 0.00 -0.53 -4.87 120.51 117.15 3m4s n ALA 67 Ca 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3m4s n ALA 67 Cb 0.11 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.14 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 0.81 0.69 0.00 0.00 0.00 -0.51 -5.02 105.19 101.17 3m4s n GLY 68 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 -3.74 1.61 2.88 -0.36 -4.85 113.62 109.16 3m4s n SER 69 Ca 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 3m4s n SER 69 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 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 -1.00 -0.24 0.22 -3.46 1.04 -1.26 -4.04 113.70 104.96 3m4s s SER 70 Ca 0.00 -0.41 -0.08 0.00 0.48 0.00 0.00 55.95 55.94 3m4s s SER 70 Cb 0.00 0.56 0.19 0.00 0.10 0.00 0.00 66.02 66.87 3m4s s SER 70 CO 0.00 -1.01 1.85 0.24 0.98 0.00 0.00 173.24 175.30 3m4s h MET 71 N 2.00 1.17 -0.17 4.02 2.86 -1.93 -1.88 114.93 120.99 3m4s h MET 71 Ca -0.23 -0.12 0.05 0.00 -2.06 0.00 0.00 59.70 57.34 3m4s h MET 71 Cb 1.24 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 32.66 3m4s h MET 71 CO 0.26 0.84 0.18 -0.44 1.06 0.00 0.00 176.91 178.82 3m4s h ASP 72 N 1.18 0.00 -0.50 1.22 3.32 -1.95 -1.00 116.42 118.68 3m4s h ASP 72 Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 3m4s h ASP 72 Cb -0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3m4s h ASP 72 CO -0.05 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.76 3m4s n LYS 73 N -3.83 4.32 -2.74 3.56 5.02 -0.71 -4.91 118.16 118.87 3m4s n LYS 73 Ca 0.01 -2.71 -0.41 0.00 -2.02 0.00 0.00 58.31 53.17 3m4s n LYS 73 Cb 0.31 -2.15 -0.04 0.00 -0.02 0.00 0.00 35.03 33.13 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 -2.48 4.74 -0.13 -0.18 1.01 -0.38 -0.60 120.40 122.38 3m4s s VAL 74 Ca 0.47 2.02 0.16 0.00 0.00 0.00 0.00 61.98 64.63 3m4s s VAL 74 Cb 0.36 -4.30 -0.22 0.00 0.00 0.00 0.00 36.38 32.21 3m4s s VAL 74 CO 0.14 0.23 0.14 1.33 0.00 0.00 0.00 175.10 176.94 3m4s n VAL 75 N 3.46 0.89 -3.64 2.92 0.24 0.26 -4.45 118.33 118.01 3m4s n VAL 75 Ca 0.04 -0.64 -0.05 0.00 -2.04 0.00 0.00 64.34 61.64 3m4s n VAL 75 Cb 0.50 -0.41 -0.07 0.00 -1.47 0.00 0.00 33.84 32.40 3m4s n VAL 75 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3m4s s LYS 76 N -2.60 0.62 0.20 7.34 2.47 -0.96 -1.17 119.74 125.64 3m4s s LYS 76 Ca -0.08 1.12 0.11 0.00 -1.56 0.00 0.00 55.97 55.55 3m4s s LYS 76 Cb 0.06 0.19 -0.04 0.00 -1.46 0.00 0.00 37.83 36.58 3m4s s LYS 76 CO 0.70 -0.14 -0.19 0.95 0.16 0.00 0.00 175.35 176.84 3m4s s THR 77 N 1.70 2.65 -0.12 3.43 -4.23 -0.36 0.01 115.64 118.71 3m4s s THR 77 Ca -0.09 -1.94 0.02 0.00 -1.18 0.00 0.00 61.69 58.49 3m4s s THR 77 Cb -0.05 -2.30 0.01 0.00 1.34 0.00 0.00 72.50 71.50 3m4s s THR 77 CO -0.19 -0.14 -0.17 -0.89 -0.54 0.00 0.00 174.62 172.69 3m4s s THR 78 N -1.76 1.63 -0.20 3.99 2.01 -0.48 -1.44 115.64 119.40 3m4s s THR 78 Ca 0.23 -0.72 -0.03 0.00 0.31 0.00 0.00 61.69 61.48 3m4s s THR 78 Cb -0.08 -1.48 -0.01 0.00 0.01 0.00 0.00 72.50 70.94 3m4s s THR 78 CO 0.12 0.47 -0.07 0.00 -0.69 0.00 0.00 174.62 174.45 3m4s s LEU 80 N 1.17 2.67 0.10 0.00 1.02 0.18 -2.32 118.68 121.51 3m4s s LEU 80 Ca 0.02 -0.42 0.07 0.00 0.02 0.00 0.00 54.13 53.82 3m4s s LEU 80 Cb -0.14 -1.64 -0.04 0.00 0.02 0.00 0.00 46.19 44.39 3m4s s LEU 80 CO -0.02 0.05 -0.09 -0.76 0.02 0.00 0.00 176.35 175.56 3m4s s LEU 81 N 1.02 3.10 0.35 1.79 1.43 -0.15 0.03 118.68 126.24 3m4s s LEU 81 Ca -0.01 -0.36 0.18 0.00 -1.03 0.00 0.00 54.13 52.92 3m4s s LEU 81 Cb -0.15 -1.89 0.37 0.00 0.03 0.00 0.00 46.19 44.55 3m4s s LEU 81 CO -0.02 0.18 1.58 0.00 0.23 0.00 0.00 176.35 178.32 3m4s h ALA 82 N 3.58 0.82 -3.29 4.21 0.00 -1.10 -0.04 119.26 123.43 3m4s h ALA 82 Ca -0.49 -0.34 -0.21 0.00 0.00 0.00 0.00 54.91 53.87 3m4s h ALA 82 Cb 1.17 -0.06 -0.29 0.00 0.00 0.00 0.00 17.79 18.61 3m4s h ALA 82 CO 0.53 0.46 -0.56 0.34 0.00 0.00 0.00 179.25 180.02 3m4s s ASP 83 N -6.36 -0.15 0.45 0.00 -1.08 -1.26 -4.72 116.67 103.55 3m4s s ASP 83 Ca 0.03 0.32 0.11 0.00 -0.52 0.00 0.00 52.55 52.49 3m4s s ASP 83 Cb 0.08 0.27 1.00 0.00 -1.46 0.00 0.00 42.92 42.81 3m4s s ASP 83 CO 0.70 -0.10 2.07 -0.29 0.52 0.00 0.00 175.17 178.08 3m4s h ILE 84 N 5.47 1.08 0.00 4.11 6.09 -1.94 -2.19 117.51 130.13 3m4s h ILE 84 Ca -0.34 -0.20 0.00 0.00 -1.37 0.00 0.00 64.86 62.96 3m4s h ILE 84 Cb 1.17 0.77 0.00 0.00 0.47 0.00 0.00 36.82 39.23 3m4s h ILE 84 CO 0.41 0.08 0.08 0.29 -3.07 0.00 0.00 178.15 175.94 3m4s n LYS 85 N -4.47 0.00 -0.09 2.19 4.01 -1.26 -1.26 118.16 117.28 3m4s n LYS 85 Ca 0.00 0.31 0.12 0.00 -0.51 0.00 0.00 58.31 58.24 3m4s n LYS 85 Cb 0.10 -1.58 0.15 0.00 -0.51 0.00 0.00 35.03 33.19 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 -1.29 3.22 -0.13 4.39 8.00 -0.82 -4.58 116.55 125.34 3m4s n ASP 86 Ca 0.00 -2.00 -0.08 0.00 0.71 0.00 0.00 54.79 53.43 3m4s n ASP 86 Cb 0.08 -0.11 0.01 0.00 -0.02 0.00 0.00 41.12 41.07 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 4.62 0.50 0.02 1.24 3.57 -1.38 -1.85 116.94 123.66 3m4s h PHE 87 Ca 0.00 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 3m4s h PHE 87 Cb 1.00 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.57 3m4s h PHE 87 CO 0.11 0.31 -0.01 0.78 -2.23 0.00 0.00 178.31 177.27 3m4s h GLY 88 N 0.54 -0.03 0.92 2.40 0.00 -1.83 0.20 103.07 105.27 3m4s h GLY 88 Ca 0.15 0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.48 3m4s h GLY 88 CO -0.04 -0.01 -0.21 -2.08 0.00 0.00 0.00 176.54 174.20 3m4s h VAL 89 N -0.14 0.57 -0.02 4.60 2.07 -1.84 -1.77 116.25 119.72 3m4s h VAL 89 Ca -0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 3m4s h VAL 89 Cb 0.13 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 3m4s h VAL 89 CO 0.01 0.00 -0.30 0.15 0.02 0.00 0.00 177.57 177.45 3m4s h PHE 90 N -0.53 -0.81 -1.00 1.57 3.57 -1.33 -2.48 116.94 115.93 3m4s h PHE 90 Ca -0.04 0.03 0.22 0.00 3.53 0.00 0.00 57.97 61.71 3m4s h PHE 90 Cb 0.43 0.36 -0.10 0.00 2.79 0.00 0.00 35.95 39.44 3m4s h PHE 90 CO -0.09 -0.39 0.63 -0.97 -2.23 0.00 0.00 178.31 175.26 3m4s h ASN 91 N -0.44 0.59 -0.13 0.41 -1.24 -0.22 0.46 115.58 115.01 3m4s h ASN 91 Ca 0.07 0.09 -0.12 0.00 0.71 0.00 0.00 56.30 57.05 3m4s h ASN 91 Cb 0.53 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.55 3m4s h ASN 91 CO -0.26 0.17 -0.31 1.23 -1.29 0.00 0.00 177.43 176.97 3m4s h GLY 92 N 0.55 0.67 1.44 1.57 0.00 -0.87 -0.32 103.07 106.11 3m4s h GLY 92 Ca 0.57 -0.61 -0.20 0.00 0.00 0.00 0.00 47.33 47.09 3m4s h GLY 92 CO -0.33 0.55 -0.77 -2.22 0.00 0.00 0.00 176.54 173.77 3m4s h ILE 93 N 0.53 1.34 -0.80 2.60 2.04 -0.07 -2.04 117.51 121.12 3m4s h ILE 93 Ca 0.06 -2.11 -0.01 0.00 1.00 0.00 0.00 64.86 63.80 3m4s h ILE 93 Cb 0.79 2.10 -0.04 0.00 -0.74 0.00 0.00 36.82 38.94 3m4s h ILE 93 CO 0.07 0.65 0.45 0.22 0.00 0.00 0.00 178.15 179.53 3m4s h TYR 94 N 0.36 1.08 -0.15 1.37 3.20 -0.11 -2.04 116.97 120.69 3m4s h TYR 94 Ca -0.05 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.77 3m4s h TYR 94 Cb 1.38 -0.35 -0.00 0.00 1.54 0.00 0.00 36.73 39.29 3m4s h TYR 94 CO 0.06 0.75 -0.04 0.00 -1.64 0.00 0.00 178.16 177.28 3m4s h ALA 95 N 1.24 0.20 -0.55 1.82 0.00 -0.92 -2.65 119.26 118.40 3m4s h ALA 95 Ca 0.28 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 55.00 3m4s h ALA 95 Cb 0.01 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 3m4s h ALA 95 CO -0.05 -0.03 0.29 1.49 0.00 0.00 0.00 179.25 180.95 3m4s h GLU 96 N -0.02 0.53 -0.91 0.00 4.22 -1.25 0.42 114.58 117.57 3m4s h GLU 96 Ca 0.04 -0.03 0.05 0.00 0.08 0.00 0.00 59.36 59.49 3m4s h GLU 96 Cb 0.48 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.56 3m4s h GLU 96 CO 0.02 0.35 0.60 0.00 -2.18 0.00 0.00 179.01 177.79 3m4s h ALA 97 N 1.30 1.46 0.00 2.92 0.00 -1.32 -2.86 119.26 120.75 3m4s h ALA 97 Ca 0.25 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3m4s h ALA 97 Cb 0.16 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3m4s h ALA 97 CO -0.17 0.43 -0.88 0.74 0.00 0.00 0.00 179.25 179.38 3m4s h PHE 98 N 1.10 0.00 0.00 0.00 0.04 -0.87 -3.50 116.94 113.71 3m4s h PHE 98 Ca 0.38 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.15 3m4s h PHE 98 Cb 0.10 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.25 3m4s h PHE 98 CO -0.00 0.04 0.00 0.41 -0.60 0.00 0.00 178.31 178.16 3m4s n GLY 99 N 1.18 2.72 0.17 -1.45 0.00 0.14 -1.73 105.19 106.21 3m4s n GLY 99 Ca -0.00 -0.26 0.13 0.00 0.00 0.00 0.00 46.02 45.89 3m4s n GLY 99 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3m4s h ASN 100 N 0.00 0.00 -3.91 1.61 2.35 -1.93 -3.46 115.58 110.25 3m4s h ASN 100 Ca 0.00 0.00 -0.48 0.00 -0.55 0.00 0.00 56.30 55.27 3m4s h ASN 100 Cb 0.00 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.38 3m4s h ASN 100 CO 0.00 0.00 0.41 -2.28 -1.65 0.00 0.00 177.43 173.91 3m4s s HIS 101 N -3.35 3.44 -0.42 1.19 2.46 -0.71 -5.01 115.29 112.90 3m4s s HIS 101 Ca 0.05 1.69 0.04 0.00 0.47 0.00 0.00 55.06 57.32 3m4s s HIS 101 Cb 0.09 -3.11 0.17 0.00 -0.13 0.00 0.00 32.58 29.61 3m4s s HIS 101 CO 0.48 -0.40 0.40 0.15 -2.47 0.00 0.00 174.74 172.91 3m4s s LYS 102 N -2.15 0.90 0.98 2.88 1.02 -1.26 -4.81 119.74 117.30 3m4s s LYS 102 Ca 0.53 -1.85 -0.12 0.00 0.02 0.00 0.00 55.97 54.54 3m4s s LYS 102 Cb -0.23 -1.16 0.18 0.00 -0.52 0.00 0.00 37.83 36.10 3m4s s LYS 102 CO 0.30 -1.36 1.09 -2.14 -0.92 0.00 0.00 175.35 172.31 3m4s s PRO 103 N 0.29 0.58 0.77 -1.68 0.02 -1.26 -5.01 135.00 128.71 3m4s s PRO 103 Ca 0.31 0.63 -0.13 0.00 0.02 0.00 0.00 61.00 61.83 3m4s s PRO 103 Cb 0.01 -1.75 0.06 0.00 0.02 0.00 0.00 34.50 32.85 3m4s s PRO 103 CO -0.16 -2.66 1.16 0.00 -0.33 0.00 0.00 177.00 175.01 3m4s s ALA 104 N -2.93 2.04 -0.08 -1.55 0.00 -0.31 -4.89 121.76 114.04 3m4s s ALA 104 Ca 0.65 0.67 -0.12 0.00 0.00 0.00 0.00 51.96 53.16 3m4s s ALA 104 Cb -0.19 -3.41 0.03 0.00 0.00 0.00 0.00 23.12 19.54 3m4s s ALA 104 CO 0.58 -1.98 0.30 0.50 0.00 0.00 0.00 175.76 175.15 3m4s s ARG 105 N -4.26 0.45 0.00 0.00 3.52 -1.26 -1.23 118.95 116.17 3m4s s ARG 105 Ca 0.69 0.20 0.06 0.00 -0.13 0.00 0.00 55.73 56.55 3m4s s ARG 105 Cb -0.24 0.21 -0.02 0.00 -1.56 0.00 0.00 34.95 33.34 3m4s s ARG 105 CO 0.49 -0.09 -0.19 0.00 -0.81 0.00 0.00 175.30 174.71 3m4s s ALA 106 N -0.35 1.58 -0.02 6.12 0.00 -0.52 -4.96 121.76 123.61 3m4s s ALA 106 Ca -0.05 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.06 3m4s s ALA 106 Cb -0.03 -0.37 0.01 0.00 0.00 0.00 0.00 23.12 22.73 3m4s s ALA 106 CO 0.02 0.38 -0.02 0.00 0.00 0.00 0.00 175.76 176.14 3m4s s PHE 108 N 0.52 -0.43 -0.12 0.00 -0.12 -0.98 -5.01 117.98 111.84 3m4s s PHE 108 Ca -0.05 0.16 -0.17 0.00 -0.05 0.00 0.00 56.93 56.82 3m4s s PHE 108 Cb -0.08 0.60 -0.04 0.00 -0.63 0.00 0.00 43.02 42.86 3m4s s PHE 108 CO -0.01 -0.91 0.44 0.00 -0.05 0.00 0.00 175.22 174.69 3m4s s ALA 109 N -3.72 3.51 0.54 1.99 0.00 -1.26 -0.98 121.76 121.84 3m4s s ALA 109 Ca 0.04 -0.24 -0.08 0.00 0.00 0.00 0.00 51.96 51.68 3m4s s ALA 109 Cb -0.02 -2.59 -0.04 0.00 0.00 0.00 0.00 23.12 20.47 3m4s s ALA 109 CO -0.07 0.04 0.89 0.00 0.00 0.00 0.00 175.76 176.61 3m4s s ALA 110 N 0.53 3.27 0.28 0.00 0.00 -0.03 -4.90 121.76 120.92 3m4s s ALA 110 Ca 0.24 -0.32 -0.01 0.00 0.00 0.00 0.00 51.96 51.87 3m4s s ALA 110 Cb -0.15 -2.80 0.41 0.00 0.00 0.00 0.00 23.12 20.59 3m4s s ALA 110 CO 0.09 -0.48 1.83 0.00 0.00 0.00 0.00 175.76 177.20 3m4s h ALA 111 N 0.03 1.22 -2.05 0.00 0.00 -1.89 -3.43 119.26 113.15 3m4s h ALA 111 Ca -0.46 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.31 3m4s h ALA 111 Cb 1.20 -0.21 -0.18 0.00 0.00 0.00 0.00 17.79 18.59 3m4s h ALA 111 CO 0.62 0.53 0.43 0.00 0.00 0.00 0.00 179.25 180.83 3m4s s ALA 112 N -5.20 -1.83 0.29 0.00 0.00 -1.26 -5.01 121.76 108.75 3m4s s ALA 112 Ca -0.10 1.22 0.11 0.00 0.00 0.00 0.00 51.96 53.19 3m4s s ALA 112 Cb 0.15 -0.00 -0.05 0.00 0.00 0.00 0.00 23.12 23.22 3m4s s ALA 112 CO 0.80 -0.51 -0.14 -0.51 0.00 0.00 0.00 175.76 175.40 3m4s s LEU 113 N -1.80 2.75 0.61 0.00 1.43 -1.26 -5.07 118.68 115.34 3m4s s LEU 113 Ca -0.01 -0.96 -0.18 0.00 -1.03 0.00 0.00 54.13 51.95 3m4s s LEU 113 Cb -0.01 -1.23 -0.03 0.00 0.03 0.00 0.00 46.19 44.95 3m4s s LEU 113 CO -0.02 -0.00 1.21 -2.84 0.23 0.00 0.00 176.35 174.93 3m4s s PRO 114 N -3.56 2.88 -1.40 1.29 0.02 -1.26 -2.38 135.00 130.59 3m4s s PRO 114 Ca 0.31 1.84 0.00 0.00 0.02 0.00 0.00 61.00 63.16 3m4s s PRO 114 Cb -0.04 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.56 3m4s s PRO 114 CO 0.16 -1.28 0.00 1.63 -0.33 0.00 0.00 177.00 177.18 3m4s n LYS 115 N -1.71 -1.83 -1.33 5.54 5.02 -1.26 -1.34 118.16 121.25 3m4s n LYS 115 Ca 0.14 0.79 -0.11 0.00 -2.02 0.00 0.00 58.31 57.10 3m4s n LYS 115 Cb 0.50 -5.31 -0.05 0.00 -0.02 0.00 0.00 35.03 30.15 3m4s n LYS 115 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3m4s n GLY 116 N -0.70 1.18 3.63 0.72 0.00 -1.00 -4.95 105.19 104.07 3m4s n GLY 116 Ca -0.17 -0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.30 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 1.21 0.06 0.11 4.61 0.00 -0.45 -4.91 120.51 121.14 3m4s n ALA 117 Ca -0.11 -0.11 0.10 0.00 0.00 0.00 0.00 53.44 53.31 3m4s n ALA 117 Cb 0.48 -2.14 0.02 0.00 0.00 0.00 0.00 19.45 17.81 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 0.04 0.00 -7.14 0.00 3.38 -1.92 -3.39 115.31 106.27 3m4s h LEU 118 Ca -0.48 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.41 3m4s h LEU 118 Cb 1.34 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.88 3m4s h LEU 118 CO 0.49 0.10 0.01 0.54 0.09 0.00 0.00 178.44 179.67 3m4s s VAL 119 N -3.26 0.01 -0.02 1.22 0.11 -1.26 -0.57 120.40 116.63 3m4s s VAL 119 Ca 0.00 -0.06 0.00 0.00 -2.93 0.00 0.00 61.98 59.00 3m4s s VAL 119 Cb 0.09 -0.85 0.02 0.00 -1.53 0.00 0.00 36.38 34.10 3m4s s VAL 119 CO 0.77 -0.03 -0.00 -0.70 -3.33 0.00 0.00 175.10 171.81 3m4s s GLU 120 N -0.29 0.19 -0.10 1.54 2.12 0.10 -4.29 118.70 117.97 3m4s s GLU 120 Ca -0.05 0.03 -0.01 0.00 0.36 0.00 0.00 54.97 55.30 3m4s s GLU 120 Cb -0.03 -0.31 0.03 0.00 0.26 0.00 0.00 34.13 34.08 3m4s s GLU 120 CO 0.04 -0.06 -0.02 0.08 -0.54 0.00 0.00 175.26 174.75 3m4s s VAL 121 N 0.58 0.65 0.36 3.70 1.01 -0.64 0.50 120.40 126.55 3m4s s VAL 121 Ca -0.05 -0.12 0.08 0.00 0.00 0.00 0.00 61.98 61.89 3m4s s VAL 121 Cb -0.08 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.48 3m4s s VAL 121 CO -0.01 0.25 0.26 -1.83 0.00 0.00 0.00 175.10 173.76 3m4s s GLU 122 N 1.86 2.54 0.06 2.72 -1.05 -0.87 -0.67 118.70 123.29 3m4s s GLU 122 Ca 0.04 -1.46 -0.27 0.00 -0.15 0.00 0.00 54.97 53.13 3m4s s GLU 122 Cb -0.13 -2.33 0.09 0.00 -0.44 0.00 0.00 34.13 31.32 3m4s s GLU 122 CO -0.07 0.02 0.86 0.00 0.95 0.00 0.00 175.26 177.03 3m4s s ILE 124 N -3.26 2.98 0.26 0.00 1.01 0.10 -0.99 121.20 121.30 3m4s s ILE 124 Ca 0.06 -0.68 0.04 0.00 0.00 0.00 0.00 60.65 60.07 3m4s s ILE 124 Cb -0.01 -2.25 -0.06 0.00 0.01 0.00 0.00 42.46 40.15 3m4s s ILE 124 CO -0.07 0.52 -0.00 0.00 0.00 0.00 0.00 174.94 175.39 3m4s s ALA 125 N 0.43 2.05 0.15 9.38 0.00 0.23 -0.57 121.76 133.42 3m4s s ALA 125 Ca -0.10 -1.86 0.05 0.00 0.00 0.00 0.00 51.96 50.05 3m4s s ALA 125 Cb -0.16 0.46 -0.04 0.00 0.00 0.00 0.00 23.12 23.38 3m4s s ALA 125 CO 0.05 -0.22 0.12 -0.08 0.00 0.00 0.00 175.76 175.62 3m4s s THR 126 N -3.30 4.44 -2.00 0.00 -1.32 0.23 0.33 115.64 114.01 3m4s s THR 126 Ca 0.30 -1.05 0.31 0.00 -1.21 0.00 0.00 61.69 60.05 3m4s s THR 126 Cb 0.06 -3.24 0.89 0.00 -1.51 0.00 0.00 72.50 68.70 3m4s s THR 126 CO 0.11 -0.07 2.19 0.18 -2.21 0.00 0.00 174.62 174.83