#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x7s n PRO 11 N 0.00 0.42 -3.70 0.00 -0.04 -1.26 -4.71 135.00 125.71 1x7s n PRO 11 Ca 0.00 -0.05 -0.19 0.00 -0.04 0.00 0.00 63.50 63.22 1x7s n PRO 11 Cb 0.00 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 31.79 1x7s n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1x7s s LEU 12 N -2.61 0.41 0.03 1.53 2.96 -1.26 -0.79 118.68 118.95 1x7s s LEU 12 Ca 0.26 0.07 0.03 0.00 -0.22 0.00 0.00 54.13 54.27 1x7s s LEU 12 Cb 0.20 -0.12 -0.02 0.00 0.50 0.00 0.00 46.19 46.76 1x7s s LEU 12 CO 0.48 -0.21 -0.08 -0.32 -1.32 0.00 0.00 176.35 174.89 1x7s s MET 13 N 1.85 0.58 -0.04 1.98 -2.45 0.15 -4.40 119.30 116.97 1x7s s MET 13 Ca 0.01 -0.57 0.07 0.00 -1.25 0.00 0.00 55.69 53.94 1x7s s MET 13 Cb -0.12 -0.46 -0.01 0.00 1.25 0.00 0.00 34.83 35.48 1x7s s MET 13 CO -0.03 0.11 -0.25 0.08 1.05 0.00 0.00 175.02 175.98 1x7s s VAL 14 N -0.87 1.98 -0.04 10.11 1.01 -0.95 -0.93 120.40 130.72 1x7s s VAL 14 Ca -0.04 -1.05 0.02 0.00 0.00 0.00 0.00 61.98 60.92 1x7s s VAL 14 Cb -0.07 -1.66 0.01 0.00 0.00 0.00 0.00 36.38 34.65 1x7s s VAL 14 CO 0.00 0.56 -0.10 -0.75 0.00 0.00 0.00 175.10 174.82 1x7s s LYS 15 N -0.35 1.15 -0.07 2.72 2.20 -0.23 -0.56 119.74 124.60 1x7s s LYS 15 Ca 0.03 -0.32 0.02 0.00 -0.36 0.00 0.00 55.97 55.34 1x7s s LYS 15 Cb -0.12 -1.04 0.01 0.00 -1.51 0.00 0.00 37.83 35.18 1x7s s LYS 15 CO 0.01 0.07 -0.13 0.08 -0.36 0.00 0.00 175.35 175.03 1x7s s VAL 16 N 0.39 1.20 0.15 4.02 1.01 0.24 -0.73 120.40 126.68 1x7s s VAL 16 Ca -0.07 -0.50 0.08 0.00 0.00 0.00 0.00 61.98 61.48 1x7s s VAL 16 Cb -0.11 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 1x7s s VAL 16 CO 0.01 0.37 -0.08 -0.76 0.00 0.00 0.00 175.10 174.65 1x7s s LEU 17 N 0.75 3.08 -0.35 3.92 1.43 0.09 -1.08 118.68 126.52 1x7s s LEU 17 Ca -0.13 -0.46 -0.09 0.00 -1.03 0.00 0.00 54.13 52.43 1x7s s LEU 17 Cb -0.16 -1.80 0.03 0.00 0.03 0.00 0.00 46.19 44.29 1x7s s LEU 17 CO 0.03 0.13 0.15 -0.62 0.23 0.00 0.00 176.35 176.27 1x7s s ASP 18 N -2.61 5.51 0.31 2.29 -1.08 0.93 -0.99 116.67 121.03 1x7s s ASP 18 Ca 0.24 -0.95 0.26 0.00 -0.52 0.00 0.00 52.55 51.58 1x7s s ASP 18 Cb -0.10 -1.96 0.83 0.00 -1.46 0.00 0.00 42.92 40.23 1x7s s ASP 18 CO 0.15 -0.32 1.75 0.00 0.52 0.00 0.00 175.17 177.28 1x7s h ALA 19 N 8.33 1.00 0.10 3.66 0.00 -1.41 -0.25 119.26 130.70 1x7s h ALA 19 Ca -0.26 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.33 1x7s h ALA 19 Cb 1.10 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1x7s h ALA 19 CO 0.63 0.00 -1.65 0.28 0.00 0.00 0.00 179.25 178.51 1x7s h VAL 20 N 0.00 0.99 0.00 0.00 2.07 -1.94 -3.38 116.25 114.00 1x7s h VAL 20 Ca 0.00 -2.69 0.00 0.00 0.82 0.00 0.00 66.70 64.83 1x7s h VAL 20 Cb 0.67 2.65 0.00 0.00 -1.52 0.00 0.00 31.29 33.09 1x7s h VAL 20 CO 0.00 0.78 -0.76 0.54 0.02 0.00 0.00 177.57 178.14 1x7s n ARG 21 N -3.38 2.18 -3.10 1.57 1.74 -1.24 -5.02 116.66 109.41 1x7s n ARG 21 Ca -0.19 -0.01 -0.14 0.00 -0.77 0.00 0.00 57.85 56.74 1x7s n ARG 21 Cb 1.04 -1.18 0.07 0.00 -1.02 0.00 0.00 32.46 31.37 1x7s n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1x7s n GLY 22 N 1.37 -0.67 3.29 -0.13 0.00 -0.13 -5.03 105.19 103.87 1x7s n GLY 22 Ca 0.02 0.32 -0.09 0.00 0.00 0.00 0.00 46.02 46.26 1x7s n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x7s s SER 23 N -3.64 0.10 0.53 1.61 1.04 -1.02 -4.99 113.70 107.33 1x7s s SER 23 Ca 0.26 -0.87 -0.22 0.00 0.48 0.00 0.00 55.95 55.59 1x7s s SER 23 Cb -0.03 0.40 -0.06 0.00 0.10 0.00 0.00 66.02 66.43 1x7s s SER 23 CO 0.64 -0.84 1.35 -0.81 0.98 0.00 0.00 173.24 174.57 1x7s n PRO 24 N -0.17 1.76 -3.21 4.02 -0.04 -1.26 -0.05 135.00 136.06 1x7s n PRO 24 Ca -0.09 0.64 -0.43 0.00 -0.04 0.00 0.00 63.50 63.59 1x7s n PRO 24 Cb 0.63 -2.56 -0.08 0.00 -0.04 0.00 0.00 33.50 31.45 1x7s n PRO 24 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x7s s ALA 25 N -1.28 3.39 -0.03 0.55 0.00 -0.24 -4.65 121.76 119.51 1x7s s ALA 25 Ca 0.70 -1.30 -0.04 0.00 0.00 0.00 0.00 51.96 51.31 1x7s s ALA 25 Cb -0.43 -3.17 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 1x7s s ALA 25 CO 0.51 -1.64 0.19 0.42 0.00 0.00 0.00 175.76 175.24 1x7s s ILE 26 N 2.50 5.42 -1.32 0.00 1.01 -1.26 -4.32 121.20 123.24 1x7s s ILE 26 Ca 0.18 -0.01 -0.03 0.00 0.00 0.00 0.00 60.65 60.79 1x7s s ILE 26 Cb -0.15 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 38.80 1x7s s ILE 26 CO 0.16 0.40 0.39 0.59 0.00 0.00 0.00 174.94 176.48 1x7s n ASN 27 N 1.20 -5.27 -4.69 3.58 4.13 -0.39 -4.93 115.26 108.89 1x7s n ASN 27 Ca -0.13 -0.19 -0.39 0.00 1.68 0.00 0.00 54.58 55.55 1x7s n ASN 27 Cb 0.53 -4.16 -0.06 0.00 -1.54 0.00 0.00 39.78 34.55 1x7s n ASN 27 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1x7s s VAL 28 N -3.02 5.08 0.27 2.41 1.01 -1.26 -4.70 120.40 120.18 1x7s s VAL 28 Ca 0.20 1.17 -0.30 0.00 0.00 0.00 0.00 61.98 63.05 1x7s s VAL 28 Cb -0.09 -3.93 -0.09 0.00 0.00 0.00 0.00 36.38 32.27 1x7s s VAL 28 CO 0.24 0.20 1.08 0.00 0.00 0.00 0.00 175.10 176.62 1x7s s ALA 29 N 1.32 3.40 -0.07 5.51 0.00 -1.26 -0.91 121.76 129.74 1x7s s ALA 29 Ca 0.30 0.85 0.01 0.00 0.00 0.00 0.00 51.96 53.12 1x7s s ALA 29 Cb -0.16 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 19.67 1x7s s ALA 29 CO 0.12 -0.11 -0.08 0.08 0.00 0.00 0.00 175.76 175.77 1x7s s VAL 30 N -1.09 0.85 -0.07 0.00 1.01 0.03 -1.19 120.40 119.95 1x7s s VAL 30 Ca 0.44 -0.27 0.06 0.00 0.00 0.00 0.00 61.98 62.21 1x7s s VAL 30 Cb -0.31 -0.84 -0.01 0.00 0.00 0.00 0.00 36.38 35.23 1x7s s VAL 30 CO 0.39 0.31 -0.25 -1.00 0.00 0.00 0.00 175.10 174.55 1x7s s HIS 31 N 1.05 2.46 -0.09 5.22 3.76 0.22 -1.46 115.29 126.46 1x7s s HIS 31 Ca -0.08 -0.79 0.01 0.00 -0.15 0.00 0.00 55.06 54.05 1x7s s HIS 31 Cb -0.14 -1.62 -0.02 0.00 1.11 0.00 0.00 32.58 31.90 1x7s s HIS 31 CO -0.00 -0.26 -0.11 0.08 -0.85 0.00 0.00 174.74 173.60 1x7s s VAL 32 N -0.06 3.34 0.14 -0.90 1.01 0.11 0.25 120.40 124.29 1x7s s VAL 32 Ca -0.07 -0.59 0.10 0.00 0.00 0.00 0.00 61.98 61.42 1x7s s VAL 32 Cb -0.15 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 1x7s s VAL 32 CO 0.05 0.56 -0.25 -0.36 0.00 0.00 0.00 175.10 175.11 1x7s s PHE 33 N -0.34 2.15 -0.04 5.22 0.40 0.26 -0.54 117.98 125.10 1x7s s PHE 33 Ca 0.04 -0.39 0.06 0.00 -0.60 0.00 0.00 56.93 56.04 1x7s s PHE 33 Cb -0.13 -1.15 -0.02 0.00 0.51 0.00 0.00 43.02 42.24 1x7s s PHE 33 CO 0.02 0.33 -0.20 0.50 0.70 0.00 0.00 175.22 176.58 1x7s s ARG 34 N -2.16 2.31 -0.08 0.44 3.52 0.25 -1.08 118.95 122.14 1x7s s ARG 34 Ca 0.13 -0.81 -0.30 0.00 -0.13 0.00 0.00 55.73 54.62 1x7s s ARG 34 Cb -0.09 -2.21 -0.02 0.00 -1.56 0.00 0.00 34.95 31.07 1x7s s ARG 34 CO 0.06 0.59 1.03 0.21 -0.81 0.00 0.00 175.30 176.38 1x7s s LYS 35 N -0.67 4.43 0.82 5.12 2.36 0.24 -1.08 119.74 130.97 1x7s s LYS 35 Ca 0.11 1.44 -0.09 0.00 -2.55 0.00 0.00 55.97 54.88 1x7s s LYS 35 Cb -0.10 -3.53 0.14 0.00 -1.05 0.00 0.00 37.83 33.29 1x7s s LYS 35 CO -0.00 -0.29 1.14 0.00 1.55 0.00 0.00 175.35 177.75 1x7s s ALA 36 N 1.88 2.94 0.38 3.13 0.00 -0.27 -4.73 121.76 125.10 1x7s s ALA 36 Ca 0.50 -1.31 0.09 0.00 0.00 0.00 0.00 51.96 51.24 1x7s s ALA 36 Cb -0.20 -2.48 0.84 0.00 0.00 0.00 0.00 23.12 21.28 1x7s s ALA 36 CO 0.20 -1.85 1.96 0.00 0.00 0.00 0.00 175.76 176.07 1x7s h ALA 37 N -1.03 1.81 0.00 0.00 0.00 -1.96 -0.72 119.26 117.37 1x7s h ALA 37 Ca -0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1x7s h ALA 37 Cb 1.27 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1x7s h ALA 37 CO 0.44 0.06 0.00 -0.40 0.00 0.00 0.00 179.25 179.35 1x7s n ASP 38 N -4.49 0.00 0.00 0.00 5.68 -1.26 -4.84 116.55 111.64 1x7s n ASP 38 Ca 0.11 -1.02 0.00 0.00 -0.50 0.00 0.00 54.79 53.38 1x7s n ASP 38 Cb 0.29 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 1x7s n ASP 38 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1x7s n ASP 39 N -0.90 0.00 -4.90 -1.12 5.68 -0.28 -5.02 116.55 110.02 1x7s n ASP 39 Ca 0.16 0.00 -0.29 0.00 -0.50 0.00 0.00 54.79 54.16 1x7s n ASP 39 Cb 0.07 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.03 1x7s n ASP 39 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1x7s s THR 40 N -3.86 4.90 -0.17 2.12 -4.23 -1.26 -4.75 115.64 108.39 1x7s s THR 40 Ca 0.00 0.29 -0.24 0.00 -1.18 0.00 0.00 61.69 60.55 1x7s s THR 40 Cb 0.00 -3.78 -0.02 0.00 1.34 0.00 0.00 72.50 70.04 1x7s s THR 40 CO 0.00 -0.57 0.79 0.26 -0.54 0.00 0.00 174.62 174.57 1x7s s TRP 41 N -2.40 3.42 -0.12 3.99 0.52 -1.26 -1.11 118.94 121.98 1x7s s TRP 41 Ca 0.48 1.21 -0.04 0.00 0.02 0.00 0.00 56.10 57.76 1x7s s TRP 41 Cb -0.10 -2.97 -0.04 0.00 -1.15 0.00 0.00 33.47 29.21 1x7s s TRP 41 CO 0.35 -0.21 0.04 -1.21 0.02 0.00 0.00 176.95 175.95 1x7s s GLU 42 N 2.03 3.37 0.27 4.98 0.41 -0.24 -4.90 118.70 124.62 1x7s s GLU 42 Ca 0.37 -0.34 -0.30 0.00 -0.41 0.00 0.00 54.97 54.29 1x7s s GLU 42 Cb -0.17 -2.99 -0.13 0.00 -1.78 0.00 0.00 34.13 29.06 1x7s s GLU 42 CO 0.12 0.58 1.32 -2.30 -0.49 0.00 0.00 175.26 174.50 1x7s n PRO 43 N 2.54 1.96 0.00 0.39 -0.02 -1.26 -0.58 135.00 138.02 1x7s n PRO 43 Ca -0.18 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1x7s n PRO 43 Cb 0.53 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1x7s n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1x7s n PHE 44 N 1.24 0.00 -3.55 6.00 7.35 0.30 -4.74 117.46 124.05 1x7s n PHE 44 Ca 0.09 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.70 1x7s n PHE 44 Cb 0.33 0.01 -0.04 0.00 0.35 0.00 0.00 39.48 40.13 1x7s n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1x7s s ALA 45 N -1.74 -1.92 0.28 3.13 0.00 -0.99 -5.00 121.76 115.52 1x7s s ALA 45 Ca 0.00 1.39 -0.21 0.00 0.00 0.00 0.00 51.96 53.14 1x7s s ALA 45 Cb 0.00 -0.24 0.02 0.00 0.00 0.00 0.00 23.12 22.90 1x7s s ALA 45 CO 0.00 -0.49 0.72 -1.54 0.00 0.00 0.00 175.76 174.45 1x7s s SER 46 N -1.76 -0.27 0.00 0.00 1.04 -1.26 0.07 113.70 111.52 1x7s s SER 46 Ca 0.03 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 55.86 1x7s s SER 46 Cb -0.01 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.84 1x7s s SER 46 CO -0.03 -1.34 0.00 0.61 0.98 0.00 0.00 173.24 173.46 1x7s n GLY 47 N -0.46 -1.31 3.31 7.32 0.00 -0.53 -4.97 105.19 108.55 1x7s n GLY 47 Ca -0.04 -0.93 -0.27 0.00 0.00 0.00 0.00 46.02 44.77 1x7s n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x7s s LYS 48 N -0.66 1.48 0.58 1.61 3.01 -1.26 -0.79 119.74 123.72 1x7s s LYS 48 Ca 0.00 -1.10 -0.18 0.00 -1.01 0.00 0.00 55.97 53.68 1x7s s LYS 48 Cb 0.00 -1.70 -0.04 0.00 -1.01 0.00 0.00 37.83 35.08 1x7s s LYS 48 CO 0.00 0.43 1.14 0.95 0.51 0.00 0.00 175.35 178.37 1x7s s THR 49 N -0.90 3.08 1.03 2.17 -4.23 -0.09 -4.78 115.64 111.92 1x7s s THR 49 Ca 0.10 0.62 -0.17 0.00 -1.18 0.00 0.00 61.69 61.05 1x7s s THR 49 Cb -0.10 -3.21 0.24 0.00 1.34 0.00 0.00 72.50 70.78 1x7s s THR 49 CO 0.03 -0.19 1.32 -0.94 -0.54 0.00 0.00 174.62 174.30 1x7s s SER 50 N -1.95 2.48 0.65 3.99 1.04 0.24 -1.26 113.70 118.89 1x7s s SER 50 Ca 0.72 0.20 0.40 0.00 0.48 0.00 0.00 55.95 57.75 1x7s s SER 50 Cb -0.24 -0.17 2.20 0.00 0.10 0.00 0.00 66.02 67.91 1x7s s SER 50 CO 0.32 -3.12 2.29 1.05 0.98 0.00 0.00 173.24 174.76 1x7s h GLU 51 N -1.91 0.00 -0.38 4.02 9.09 -1.94 0.14 114.58 123.60 1x7s h GLU 51 Ca -0.44 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.97 1x7s h GLU 51 Cb 1.22 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.32 1x7s h GLU 51 CO 0.31 0.00 0.00 -1.13 0.05 0.00 0.00 179.01 178.24 1x7s n SER 52 N -3.25 2.66 -0.05 3.06 3.41 -1.26 -4.82 113.62 113.36 1x7s n SER 52 Ca -0.03 -1.91 -0.01 0.00 -0.26 0.00 0.00 58.87 56.66 1x7s n SER 52 Cb 0.12 -0.25 -0.00 0.00 -0.26 0.00 0.00 64.21 63.82 1x7s n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x7s n GLY 53 N 1.32 0.48 3.62 5.00 0.00 0.50 -4.80 105.19 111.31 1x7s n GLY 53 Ca 0.18 -0.28 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 1x7s n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x7s s GLU 54 N -0.80 2.25 -0.22 1.61 2.02 -1.26 -0.59 118.70 121.71 1x7s s GLU 54 Ca 0.00 -1.10 -0.00 0.00 0.02 0.00 0.00 54.97 53.88 1x7s s GLU 54 Cb 0.00 -2.31 0.06 0.00 0.10 0.00 0.00 34.13 31.98 1x7s s GLU 54 CO 0.00 0.47 -0.02 -1.17 0.02 0.00 0.00 175.26 174.56 1x7s s LEU 55 N -2.66 2.10 0.30 1.80 2.96 0.28 -0.59 118.68 122.86 1x7s s LEU 55 Ca 0.25 -1.05 0.08 0.00 -0.22 0.00 0.00 54.13 53.19 1x7s s LEU 55 Cb -0.10 -0.98 -0.04 0.00 0.50 0.00 0.00 46.19 45.57 1x7s s LEU 55 CO 0.16 -0.26 0.14 -1.00 -1.32 0.00 0.00 176.35 174.08 1x7s s HIS 56 N 1.55 2.83 -1.02 5.38 3.76 -1.26 -2.23 115.29 124.31 1x7s s HIS 56 Ca -0.04 -0.26 0.00 0.00 -0.15 0.00 0.00 55.06 54.61 1x7s s HIS 56 Cb -0.18 -1.48 0.00 0.00 1.11 0.00 0.00 32.58 32.02 1x7s s HIS 56 CO -0.07 0.44 0.00 0.41 -0.85 0.00 0.00 174.74 174.67 1x7s n GLY 57 N -1.12 0.84 0.27 -2.22 0.00 -1.26 -4.93 105.19 96.76 1x7s n GLY 57 Ca -0.05 -0.54 -0.01 0.00 0.00 0.00 0.00 46.02 45.42 1x7s n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1x7s h LEU 58 N 0.00 0.54 0.00 0.99 3.38 -1.84 -3.47 115.31 114.91 1x7s h LEU 58 Ca -0.22 -0.11 -0.19 0.00 0.09 0.00 0.00 57.88 57.45 1x7s h LEU 58 Cb 0.80 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 1x7s h LEU 58 CO 0.30 0.62 -0.00 1.07 0.09 0.00 0.00 178.44 180.52 1x7s n THR 59 N -4.26 0.00 -4.52 0.22 5.66 -1.26 -4.75 114.28 105.36 1x7s n THR 59 Ca 0.02 -1.50 -0.26 0.00 -3.05 0.00 0.00 64.05 59.26 1x7s n THR 59 Cb 0.26 1.05 -0.10 0.00 -1.55 0.00 0.00 70.33 69.99 1x7s n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1x7s s THR 60 N -2.58 2.29 0.23 1.09 -4.23 -1.26 -4.60 115.64 106.58 1x7s s THR 60 Ca 0.24 -2.20 -0.07 0.00 -1.18 0.00 0.00 61.69 58.48 1x7s s THR 60 Cb -0.02 -2.63 0.18 0.00 1.34 0.00 0.00 72.50 71.36 1x7s s THR 60 CO 0.18 -0.22 1.76 1.05 -0.54 0.00 0.00 174.62 176.85 1x7s h GLU 61 N 2.02 0.51 -0.59 3.99 9.09 -1.98 -1.11 114.58 126.52 1x7s h GLU 61 Ca -0.42 -0.03 -0.04 0.00 0.05 0.00 0.00 59.36 58.92 1x7s h GLU 61 Cb 1.25 -0.11 -0.03 0.00 -1.65 0.00 0.00 28.75 28.21 1x7s h GLU 61 CO 0.69 0.34 0.21 1.49 0.05 0.00 0.00 179.01 181.79 1x7s h GLU 62 N 0.52 0.88 0.00 1.06 4.81 -2.05 -3.09 114.58 116.71 1x7s h GLU 62 Ca 0.35 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.39 1x7s h GLU 62 Cb 0.42 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1x7s h GLU 62 CO -0.30 0.74 -0.80 0.93 -0.73 0.00 0.00 179.01 178.84 1x7s h GLU 63 N 0.86 0.00 -3.86 1.92 3.07 -1.84 -3.41 114.58 111.31 1x7s h GLU 63 Ca 0.20 0.00 -0.75 0.00 -0.50 0.00 0.00 59.36 58.31 1x7s h GLU 63 Cb 0.21 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 27.98 1x7s h GLU 63 CO -0.01 0.09 2.02 0.34 -1.40 0.00 0.00 179.01 180.05 1x7s n PHE 64 N -2.86 3.43 -2.26 4.33 7.35 -0.47 -4.96 117.46 122.02 1x7s n PHE 64 Ca -0.01 -2.92 -0.27 0.00 -0.76 0.00 0.00 57.45 53.50 1x7s n PHE 64 Cb 0.61 -2.08 0.05 0.00 0.35 0.00 0.00 39.48 38.41 1x7s n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1x7s s VAL 65 N 1.01 3.14 0.42 -2.13 -7.23 -1.26 -4.95 120.40 109.38 1x7s s VAL 65 Ca 0.41 -0.04 -0.25 0.00 -1.81 0.00 0.00 61.98 60.30 1x7s s VAL 65 Cb 0.08 -3.29 -0.10 0.00 0.56 0.00 0.00 36.38 33.62 1x7s s VAL 65 CO -0.00 -0.32 1.10 -0.62 -0.31 0.00 0.00 175.10 174.95 1x7s n GLU 66 N -2.76 1.54 -3.79 4.82 1.02 -1.26 -4.85 120.64 115.36 1x7s n GLU 66 Ca 0.06 0.55 0.00 0.00 -0.02 0.00 0.00 57.16 57.75 1x7s n GLU 66 Cb 0.59 -2.15 0.00 0.00 -0.02 0.00 0.00 31.44 29.86 1x7s n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x7s n GLY 67 N 1.06 -2.15 3.62 0.62 0.00 -1.20 -4.96 105.19 102.18 1x7s n GLY 67 Ca 0.09 -1.22 -0.35 0.00 0.00 0.00 0.00 46.02 44.53 1x7s n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x7s s ILE 68 N -2.34 4.95 0.17 -0.61 1.01 -1.26 -0.26 121.20 122.86 1x7s s ILE 68 Ca 0.00 0.03 0.11 0.00 0.00 0.00 0.00 60.65 60.79 1x7s s ILE 68 Cb 0.00 -3.27 -0.04 0.00 0.01 0.00 0.00 42.46 39.16 1x7s s ILE 68 CO 0.00 0.41 -0.25 -0.31 0.00 0.00 0.00 174.94 174.79 1x7s s TYR 69 N 0.74 2.31 -0.10 3.97 1.51 -0.00 -0.59 117.35 125.18 1x7s s TYR 69 Ca 0.05 -0.36 0.01 0.00 -1.01 0.00 0.00 57.07 55.76 1x7s s TYR 69 Cb -0.13 -1.18 0.02 0.00 -0.11 0.00 0.00 41.96 40.56 1x7s s TYR 69 CO 0.02 0.45 -0.13 0.21 -1.11 0.00 0.00 175.55 174.99 1x7s s LYS 70 N -2.48 2.01 -0.24 -0.62 2.20 -0.24 -1.07 119.74 119.28 1x7s s LYS 70 Ca 0.19 -0.48 -0.07 0.00 -0.36 0.00 0.00 55.97 55.24 1x7s s LYS 70 Cb -0.09 -1.75 -0.03 0.00 -1.51 0.00 0.00 37.83 34.45 1x7s s LYS 70 CO 0.09 -0.09 0.07 0.08 -0.36 0.00 0.00 175.35 175.14 1x7s s VAL 71 N 1.06 4.33 -0.15 4.02 1.01 0.79 -0.57 120.40 130.90 1x7s s VAL 71 Ca -0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 61.98 61.74 1x7s s VAL 71 Cb -0.15 -3.02 -0.02 0.00 0.00 0.00 0.00 36.38 33.20 1x7s s VAL 71 CO -0.02 0.35 -0.10 -1.61 0.00 0.00 0.00 175.10 173.72 1x7s s GLU 72 N 1.53 3.46 -0.18 2.72 2.02 0.14 -0.86 118.70 127.53 1x7s s GLU 72 Ca 0.06 -0.64 -0.02 0.00 0.02 0.00 0.00 54.97 54.39 1x7s s GLU 72 Cb -0.15 -2.75 -0.01 0.00 0.10 0.00 0.00 34.13 31.32 1x7s s GLU 72 CO 0.04 0.17 -0.09 0.42 0.02 0.00 0.00 175.26 175.81 1x7s s ILE 73 N 0.50 3.13 -1.30 -1.63 1.01 0.12 -0.61 121.20 122.42 1x7s s ILE 73 Ca -0.07 -0.60 -0.14 0.00 0.00 0.00 0.00 60.65 59.84 1x7s s ILE 73 Cb -0.15 -2.37 0.11 0.00 0.01 0.00 0.00 42.46 40.06 1x7s s ILE 73 CO 0.04 0.48 1.77 0.47 0.00 0.00 0.00 174.94 177.70 1x7s n ASP 74 N 4.23 4.84 0.01 3.58 8.00 -0.33 -1.13 116.55 135.74 1x7s n ASP 74 Ca -0.18 -2.96 -0.09 0.00 0.71 0.00 0.00 54.79 52.27 1x7s n ASP 74 Cb 0.52 -1.63 0.07 0.00 -0.02 0.00 0.00 41.12 40.06 1x7s n ASP 74 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1x7s h THR 75 N 4.65 1.32 -0.22 -3.53 1.35 -1.88 -3.11 112.91 111.50 1x7s h THR 75 Ca 0.43 -1.76 0.00 0.00 -0.55 0.00 0.00 66.41 64.53 1x7s h THR 75 Cb 0.78 1.74 -0.01 0.00 -1.73 0.00 0.00 68.15 68.93 1x7s h THR 75 CO 1.51 0.55 0.13 0.50 -0.25 0.00 0.00 175.52 177.96 1x7s h LYS 76 N 0.41 0.27 -0.06 4.72 3.64 -1.72 -0.76 116.57 123.07 1x7s h LYS 76 Ca 0.01 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1x7s h LYS 76 Cb 1.05 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 1x7s h LYS 76 CO 0.10 0.18 -0.14 0.77 -2.27 0.00 0.00 179.45 178.08 1x7s h SER 77 N 0.28 0.08 0.08 4.20 0.02 -1.85 -0.83 113.55 115.53 1x7s h SER 77 Ca 0.08 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1x7s h SER 77 Cb -0.02 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1x7s h SER 77 CO -0.03 0.24 -0.04 0.15 -1.14 0.00 0.00 176.83 176.01 1x7s h PHE 78 N 0.08 -0.09 -0.30 3.45 3.04 -1.16 -1.47 116.94 120.49 1x7s h PHE 78 Ca 0.02 -0.00 -0.09 0.00 3.98 0.00 0.00 57.97 61.88 1x7s h PHE 78 Cb 0.31 0.03 -0.02 0.00 2.56 0.00 0.00 35.95 38.83 1x7s h PHE 78 CO 0.00 0.07 -0.18 -1.49 -2.02 0.00 0.00 178.31 174.70 1x7s h TRP 79 N -0.24 0.60 -0.69 0.41 4.06 -1.01 -2.99 115.95 116.08 1x7s h TRP 79 Ca -0.01 -0.11 -0.03 0.00 2.06 0.00 0.00 58.89 60.80 1x7s h TRP 79 Cb 0.21 -0.15 -0.03 0.00 -1.00 0.00 0.00 29.16 28.18 1x7s h TRP 79 CO -0.03 0.69 0.32 0.87 -3.56 0.00 0.00 178.44 176.73 1x7s h LYS 80 N 0.49 1.00 -0.24 0.49 6.56 -0.94 0.26 116.57 124.20 1x7s h LYS 80 Ca 0.08 -0.15 0.04 0.00 -1.06 0.00 0.00 60.65 59.56 1x7s h LYS 80 Cb 0.59 -0.18 -0.01 0.00 -0.57 0.00 0.00 32.23 32.06 1x7s h LYS 80 CO 0.04 0.80 0.16 0.00 -2.06 0.00 0.00 179.45 178.39 1x7s h ALA 81 N 1.15 2.03 0.02 3.86 0.00 -1.15 -2.35 119.26 122.83 1x7s h ALA 81 Ca 0.24 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.89 1x7s h ALA 81 Cb 0.14 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1x7s h ALA 81 CO -0.03 -0.08 -1.30 -0.07 0.00 0.00 0.00 179.25 177.78 1x7s h LEU 82 N 0.15 0.07 0.00 0.00 3.38 -1.03 -3.48 115.31 114.39 1x7s h LEU 82 Ca 0.10 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1x7s h LEU 82 Cb 0.22 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1x7s h LEU 82 CO -0.02 1.07 0.00 0.61 0.09 0.00 0.00 178.44 180.20 1x7s n GLY 83 N 1.46 1.35 3.33 0.83 0.00 -0.06 -5.09 105.19 107.00 1x7s n GLY 83 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 1x7s n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x7s s ILE 84 N -2.00 3.28 -0.04 -0.61 1.01 -0.89 -5.04 121.20 116.91 1x7s s ILE 84 Ca 0.00 -0.54 -0.30 0.00 0.00 0.00 0.00 60.65 59.81 1x7s s ILE 84 Cb 0.00 -2.46 -0.06 0.00 0.01 0.00 0.00 42.46 39.95 1x7s s ILE 84 CO 0.00 0.46 1.61 -0.55 0.00 0.00 0.00 174.94 176.46 1x7s s SER 85 N 1.12 6.69 0.33 3.58 0.15 -1.26 -4.28 113.70 120.04 1x7s s SER 85 Ca 0.01 2.23 0.02 0.00 0.70 0.00 0.00 55.95 58.92 1x7s s SER 85 Cb -0.15 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.60 1x7s s SER 85 CO -0.01 -0.89 0.52 -2.16 1.20 0.00 0.00 173.24 171.89 1x7s s PRO 86 N 3.64 3.40 -0.17 5.44 0.04 -1.26 -4.81 135.00 141.28 1x7s s PRO 86 Ca 0.72 -0.50 -0.15 0.00 0.04 0.00 0.00 61.00 61.11 1x7s s PRO 86 Cb -0.34 -2.71 -0.12 0.00 0.04 0.00 0.00 34.50 31.38 1x7s s PRO 86 CO 0.29 0.15 0.09 0.35 0.04 0.00 0.00 177.00 177.92 1x7s h PHE 87 N 0.81 0.00 -4.04 0.56 3.57 -1.51 -3.49 116.94 112.83 1x7s h PHE 87 Ca -0.50 0.00 -0.44 0.00 3.53 0.00 0.00 57.97 60.56 1x7s h PHE 87 Cb 1.23 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.95 1x7s h PHE 87 CO 0.48 0.72 0.34 -1.01 -2.23 0.00 0.00 178.31 176.61 1x7s s HIS 88 N -2.22 3.34 0.15 0.41 3.76 -1.26 -4.99 115.29 114.48 1x7s s HIS 88 Ca -0.20 1.62 -0.09 0.00 -0.15 0.00 0.00 55.06 56.25 1x7s s HIS 88 Cb 0.03 -2.86 -0.02 0.00 1.11 0.00 0.00 32.58 30.84 1x7s s HIS 88 CO 0.40 -0.09 1.45 0.93 -0.85 0.00 0.00 174.74 176.58 1x7s h GLU 89 N 2.02 0.82 -2.49 1.40 4.39 -1.98 -3.37 114.58 115.38 1x7s h GLU 89 Ca -0.49 -0.49 0.15 0.00 0.34 0.00 0.00 59.36 58.87 1x7s h GLU 89 Cb 1.18 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 29.82 1x7s h GLU 89 CO 0.61 1.13 0.47 -3.38 -1.16 0.00 0.00 179.01 176.68 1x7s s HIS 90 N -4.17 -0.06 -0.07 4.33 -3.43 -1.26 -3.42 115.29 107.21 1x7s s HIS 90 Ca -0.10 -0.31 -0.03 0.00 -0.80 0.00 0.00 55.06 53.82 1x7s s HIS 90 Cb 0.11 0.68 -0.04 0.00 -1.43 0.00 0.00 32.58 31.90 1x7s s HIS 90 CO 0.88 -0.94 0.08 0.00 -2.00 0.00 0.00 174.74 172.75 1x7s s ALA 91 N -2.97 3.61 -0.06 -1.38 0.00 -0.28 -4.88 121.76 115.80 1x7s s ALA 91 Ca 0.15 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.36 1x7s s ALA 91 Cb -0.02 -1.69 0.01 0.00 0.00 0.00 0.00 23.12 21.42 1x7s s ALA 91 CO 0.04 0.64 -0.12 -1.21 0.00 0.00 0.00 175.76 175.11 1x7s s GLU 92 N -1.26 1.70 -0.21 0.00 8.01 -1.26 -0.71 118.70 124.97 1x7s s GLU 92 Ca 0.18 -0.42 0.01 0.00 0.01 0.00 0.00 54.97 54.75 1x7s s GLU 92 Cb -0.12 -1.40 0.04 0.00 -4.31 0.00 0.00 34.13 28.34 1x7s s GLU 92 CO 0.08 0.04 -0.11 0.08 0.01 0.00 0.00 175.26 175.35 1x7s s VAL 93 N 0.63 1.78 -0.14 2.63 1.01 -0.04 -4.97 120.40 121.31 1x7s s VAL 93 Ca -0.14 -1.12 0.00 0.00 0.00 0.00 0.00 61.98 60.72 1x7s s VAL 93 Cb -0.16 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 1x7s s VAL 93 CO 0.04 0.16 -0.14 -0.69 0.00 0.00 0.00 175.10 174.47 1x7s s VAL 94 N 1.33 2.92 0.11 2.92 1.01 -1.26 -0.15 120.40 127.28 1x7s s VAL 94 Ca -0.02 -0.70 -0.20 0.00 0.00 0.00 0.00 61.98 61.05 1x7s s VAL 94 Cb -0.17 -2.23 0.05 0.00 0.00 0.00 0.00 36.38 34.04 1x7s s VAL 94 CO -0.08 0.52 0.51 0.72 0.00 0.00 0.00 175.10 176.77 1x7s s PHE 95 N 0.49 -0.39 -0.20 5.22 -0.71 -0.24 -5.00 117.98 117.16 1x7s s PHE 95 Ca -0.10 0.23 -0.12 0.00 -1.04 0.00 0.00 56.93 55.90 1x7s s PHE 95 Cb -0.16 0.38 -0.05 0.00 -1.21 0.00 0.00 43.02 41.99 1x7s s PHE 95 CO 0.04 -0.73 0.21 0.99 -1.34 0.00 0.00 175.22 174.40 1x7s s THR 96 N -3.33 5.34 -0.00 -4.49 2.01 -1.26 -0.82 115.64 113.09 1x7s s THR 96 Ca -0.00 0.35 -0.26 0.00 0.31 0.00 0.00 61.69 62.09 1x7s s THR 96 Cb 0.00 -3.55 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 1x7s s THR 96 CO -0.09 0.38 0.79 0.00 -0.69 0.00 0.00 174.62 175.02 1x7s s ALA 97 N 0.67 3.31 0.04 7.40 0.00 0.64 -4.95 121.76 128.86 1x7s s ALA 97 Ca 0.12 0.29 0.07 0.00 0.00 0.00 0.00 51.96 52.44 1x7s s ALA 97 Cb -0.13 -3.07 -0.02 0.00 0.00 0.00 0.00 23.12 19.90 1x7s s ALA 97 CO 0.02 -0.07 -0.21 -0.80 0.00 0.00 0.00 175.76 174.71 1x7s s ASN 98 N 0.51 2.46 0.11 0.00 0.02 -1.26 -3.23 114.94 113.55 1x7s s ASN 98 Ca 0.41 -0.51 0.25 0.00 -1.02 0.00 0.00 52.86 51.99 1x7s s ASN 98 Cb -0.20 -0.21 0.49 0.00 0.02 0.00 0.00 41.25 41.36 1x7s s ASN 98 CO 0.22 0.17 1.44 0.47 0.02 0.00 0.00 177.10 179.42 1x7s n ASP 99 N 1.90 0.66 -3.98 -1.22 8.00 -1.26 -4.92 116.55 115.73 1x7s n ASP 99 Ca -0.17 0.18 -0.11 0.00 0.71 0.00 0.00 54.79 55.40 1x7s n ASP 99 Cb 0.53 -0.03 -0.12 0.00 -0.02 0.00 0.00 41.12 41.48 1x7s n ASP 99 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1x7s s SER 100 N -4.07 0.38 0.00 -2.24 0.01 -1.26 -4.50 113.70 102.02 1x7s s SER 100 Ca 0.08 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 56.93 1x7s s SER 100 Cb 0.14 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.43 1x7s s SER 100 CO 0.69 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.74 1x7s n GLY 101 N 1.89 -2.92 3.77 3.44 0.00 -1.26 -5.71 105.19 104.41 1x7s n GLY 101 Ca -0.21 -1.77 -0.40 0.00 0.00 0.00 0.00 46.02 43.63 1x7s n GLY 101 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1x7s s PRO 102 N -0.77 4.11 -0.22 1.61 0.02 -1.26 -5.01 135.00 133.48 1x7s s PRO 102 Ca 0.00 2.38 -0.20 0.00 0.02 0.00 0.00 61.00 63.20 1x7s s PRO 102 Cb 0.00 -2.93 0.06 0.00 0.02 0.00 0.00 34.50 31.65 1x7s s PRO 102 CO 0.00 -0.45 0.58 1.03 -0.33 0.00 0.00 177.00 177.83 1x7s s ARG 103 N -2.07 0.68 -0.06 5.54 3.00 -1.26 -4.41 118.95 120.37 1x7s s ARG 103 Ca 0.53 0.80 0.05 0.00 0.00 0.00 0.00 55.73 57.11 1x7s s ARG 103 Cb -0.43 0.33 -0.02 0.00 0.00 0.00 0.00 34.95 34.83 1x7s s ARG 103 CO 0.57 -0.08 -0.20 -0.98 0.00 0.00 0.00 175.30 174.61 1x7s s ARG 104 N 0.30 2.55 -0.21 3.54 1.70 0.21 -4.81 118.95 122.23 1x7s s ARG 104 Ca -0.00 -0.81 -0.04 0.00 -0.47 0.00 0.00 55.73 54.41 1x7s s ARG 104 Cb -0.04 -2.27 -0.01 0.00 -0.57 0.00 0.00 34.95 32.06 1x7s s ARG 104 CO 0.01 0.48 -0.05 0.71 -1.08 0.00 0.00 175.30 175.37 1x7s s TYR 105 N -0.38 2.95 -0.22 5.89 1.51 0.03 -1.37 117.35 125.76 1x7s s TYR 105 Ca 0.03 -0.92 -0.02 0.00 -1.01 0.00 0.00 57.07 55.16 1x7s s TYR 105 Cb -0.12 -2.08 0.01 0.00 -0.11 0.00 0.00 41.96 39.65 1x7s s TYR 105 CO 0.02 -0.52 -0.09 0.99 -1.11 0.00 0.00 175.55 174.83 1x7s s THR 106 N 1.39 2.84 -0.41 -0.71 2.01 0.16 -0.68 115.64 120.25 1x7s s THR 106 Ca 0.05 -0.78 -0.16 0.00 0.31 0.00 0.00 61.69 61.10 1x7s s THR 106 Cb -0.14 -2.32 0.02 0.00 0.01 0.00 0.00 72.50 70.07 1x7s s THR 106 CO -0.03 0.39 0.40 -0.63 -0.69 0.00 0.00 174.62 174.06 1x7s s ILE 107 N 1.38 5.14 0.06 1.82 -1.09 -0.11 -0.26 121.20 128.13 1x7s s ILE 107 Ca 0.04 -0.35 0.02 0.00 -2.23 0.00 0.00 60.65 58.13 1x7s s ILE 107 Cb -0.15 -3.98 -0.04 0.00 -1.58 0.00 0.00 42.46 36.71 1x7s s ILE 107 CO -0.06 -0.35 0.07 0.00 -1.23 0.00 0.00 174.94 173.37 1x7s s ALA 108 N 2.02 3.54 -0.03 9.38 0.00 0.22 -1.07 121.76 135.82 1x7s s ALA 108 Ca 0.10 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 51.09 1x7s s ALA 108 Cb -0.17 -1.44 0.02 0.00 0.00 0.00 0.00 23.12 21.52 1x7s s ALA 108 CO 0.13 0.73 -0.03 0.00 0.00 0.00 0.00 175.76 176.58 1x7s s ALA 109 N -1.32 0.49 -0.20 0.00 0.00 0.09 -1.36 121.76 119.45 1x7s s ALA 109 Ca 0.27 -0.01 -0.03 0.00 0.00 0.00 0.00 51.96 52.19 1x7s s ALA 109 Cb -0.12 -0.31 -0.01 0.00 0.00 0.00 0.00 23.12 22.68 1x7s s ALA 109 CO 0.19 0.00 -0.07 -1.17 0.00 0.00 0.00 175.76 174.72 1x7s s LEU 110 N 0.70 2.83 -0.15 0.00 2.96 0.20 -0.74 118.68 124.49 1x7s s LEU 110 Ca -0.08 -0.39 -0.04 0.00 -0.22 0.00 0.00 54.13 53.40 1x7s s LEU 110 Cb -0.11 -1.70 -0.03 0.00 0.50 0.00 0.00 46.19 44.84 1x7s s LEU 110 CO -0.00 0.02 -0.01 -0.76 -1.32 0.00 0.00 176.35 174.27 1x7s s LEU 111 N 1.24 3.40 0.20 -0.68 1.43 -0.16 -1.24 118.68 122.88 1x7s s LEU 111 Ca 0.03 -0.04 0.08 0.00 -1.03 0.00 0.00 54.13 53.16 1x7s s LEU 111 Cb -0.14 -1.82 -0.05 0.00 0.03 0.00 0.00 46.19 44.21 1x7s s LEU 111 CO -0.02 0.21 -0.15 -0.44 0.23 0.00 0.00 176.35 176.18 1x7s s SER 112 N 0.11 2.59 0.28 2.29 0.01 0.40 -1.11 113.70 118.29 1x7s s SER 112 Ca 0.01 -1.02 0.01 0.00 1.31 0.00 0.00 55.95 56.26 1x7s s SER 112 Cb -0.13 -0.14 0.52 0.00 0.21 0.00 0.00 66.02 66.48 1x7s s SER 112 CO 0.02 -0.16 1.86 -0.65 0.41 0.00 0.00 173.24 174.72 1x7s h PRO 113 N 2.57 1.01 -0.01 12.44 0.11 -1.97 -2.97 132.00 143.19 1x7s h PRO 113 Ca -0.38 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1x7s h PRO 113 Cb 1.22 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1x7s h PRO 113 CO 0.62 0.67 0.00 0.66 -0.21 0.00 0.00 178.00 179.74 1x7s n TYR 114 N -4.56 0.02 -3.68 0.65 4.02 -1.26 -1.21 117.16 111.14 1x7s n TYR 114 Ca 0.17 -0.87 -0.14 0.00 -0.01 0.00 0.00 57.90 57.05 1x7s n TYR 114 Cb 0.29 -0.13 -0.08 0.00 -0.02 0.00 0.00 39.34 39.40 1x7s n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1x7s s SER 115 N -2.37 -0.50 0.05 7.72 0.15 -1.12 -4.98 113.70 112.65 1x7s s SER 115 Ca 0.24 0.83 -0.02 0.00 0.70 0.00 0.00 55.95 57.69 1x7s s SER 115 Cb 0.21 0.85 -0.03 0.00 -1.71 0.00 0.00 66.02 65.34 1x7s s SER 115 CO 0.02 -0.29 0.01 -0.72 1.20 0.00 0.00 173.24 173.46 1x7s s TYR 116 N -0.23 0.42 0.14 3.44 -0.85 -1.26 -0.45 117.35 118.56 1x7s s TYR 116 Ca -0.04 -0.90 0.08 0.00 -0.52 0.00 0.00 57.07 55.69 1x7s s TYR 116 Cb -0.03 -0.30 -0.04 0.00 0.38 0.00 0.00 41.96 41.96 1x7s s TYR 116 CO 0.03 -0.38 -0.18 -1.54 -1.52 0.00 0.00 175.55 171.96 1x7s s SER 117 N -2.70 2.45 0.00 -0.18 1.04 -0.37 -4.98 113.70 108.96 1x7s s SER 117 Ca 0.03 -0.80 0.01 0.00 0.48 0.00 0.00 55.95 55.67 1x7s s SER 117 Cb 0.05 -0.13 -0.00 0.00 0.10 0.00 0.00 66.02 66.04 1x7s s SER 117 CO -0.09 -0.04 -0.03 0.28 0.98 0.00 0.00 173.24 174.33 1x7s s THR 118 N -1.86 0.26 -0.00 2.02 -1.32 -1.26 -0.63 115.64 112.85 1x7s s THR 118 Ca 0.11 -0.22 0.02 0.00 -1.21 0.00 0.00 61.69 60.39 1x7s s THR 118 Cb -0.07 -0.24 -0.01 0.00 -1.51 0.00 0.00 72.50 70.68 1x7s s THR 118 CO 0.05 0.02 -0.07 -0.89 -2.21 0.00 0.00 174.62 171.52 1x7s s THR 119 N -0.20 0.55 -0.20 5.08 2.01 -0.46 -4.99 115.64 117.43 1x7s s THR 119 Ca -0.00 -0.35 -0.08 0.00 0.31 0.00 0.00 61.69 61.56 1x7s s THR 119 Cb -0.02 -0.48 -0.04 0.00 0.01 0.00 0.00 72.50 71.97 1x7s s THR 119 CO -0.00 0.12 0.09 0.00 -0.69 0.00 0.00 174.62 174.14 1x7s s ALA 120 N -0.24 3.46 -0.27 7.40 0.00 -1.26 -0.61 121.76 130.23 1x7s s ALA 120 Ca 0.02 -0.79 -0.04 0.00 0.00 0.00 0.00 51.96 51.15 1x7s s ALA 120 Cb -0.03 -2.03 0.02 0.00 0.00 0.00 0.00 23.12 21.08 1x7s s ALA 120 CO -0.00 0.07 0.01 0.08 0.00 0.00 0.00 175.76 175.91 1x7s s VAL 121 N 0.57 3.39 -0.25 0.00 1.01 0.64 -4.96 120.40 120.79 1x7s s VAL 121 Ca 0.05 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.10 1x7s s VAL 121 Cb -0.13 -2.75 0.03 0.00 0.00 0.00 0.00 36.38 33.53 1x7s s VAL 121 CO 0.01 0.11 -0.06 -0.69 0.00 0.00 0.00 175.10 174.47 1x7s s VAL 122 N 1.40 2.89 0.31 2.92 1.01 -1.26 -0.66 120.40 127.00 1x7s s VAL 122 Ca 0.01 -1.02 0.03 0.00 0.00 0.00 0.00 61.98 61.00 1x7s s VAL 122 Cb -0.17 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 1x7s s VAL 122 CO -0.01 0.20 0.14 0.42 0.00 0.00 0.00 175.10 175.85 1x7s s THR 123 N 1.33 0.42 -2.01 3.92 -4.23 -0.47 -4.93 115.64 109.66 1x7s s THR 123 Ca 0.00 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.67 1x7s s THR 123 Cb -0.17 -2.53 0.13 0.00 1.34 0.00 0.00 72.50 71.27 1x7s s THR 123 CO -0.04 0.00 1.01 0.59 -0.54 0.00 0.00 174.62 175.64