#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1adl h ASP 2 N 0.00 0.00 0.66 0.00 3.32 -2.02 -1.89 116.42 116.49 1adl h ASP 2 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1adl h ASP 2 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1adl h ASP 2 CO 0.00 0.05 0.00 0.00 -1.72 0.00 0.00 179.24 177.57 1adl h ALA 3 N 1.95 1.00 0.00 3.45 0.00 -2.03 -2.94 119.26 120.68 1adl h ALA 3 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1adl h ALA 3 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1adl h ALA 3 CO 0.01 0.00 -1.61 1.19 0.00 0.00 0.00 179.25 178.83 1adl n PHE 4 N -2.60 0.32 -1.71 0.00 3.72 -0.71 -4.97 117.46 111.51 1adl n PHE 4 Ca 0.01 0.09 -0.43 0.00 -0.05 0.00 0.00 57.45 57.07 1adl n PHE 4 Cb 0.21 -0.63 -0.03 0.00 -0.94 0.00 0.00 39.48 38.09 1adl n PHE 4 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1adl n VAL 5 N -2.36 0.21 -0.03 -4.37 0.31 -1.11 -4.57 118.33 106.41 1adl n VAL 5 Ca -0.02 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1adl n VAL 5 Cb 0.55 -1.89 0.00 0.00 -0.91 0.00 0.00 33.84 31.59 1adl n VAL 5 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1adl n GLY 6 N 3.51 0.98 3.40 2.92 0.00 -0.71 -4.96 105.19 110.32 1adl n GLY 6 Ca 0.15 -1.92 -0.33 0.00 0.00 0.00 0.00 46.02 43.92 1adl n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1adl s THR 7 N -1.68 3.25 0.06 2.61 2.01 -1.26 -1.11 115.64 119.53 1adl s THR 7 Ca 0.00 -0.59 0.08 0.00 0.31 0.00 0.00 61.69 61.49 1adl s THR 7 Cb 0.00 -2.38 -0.03 0.00 0.01 0.00 0.00 72.50 70.10 1adl s THR 7 CO 0.00 0.52 -0.22 0.26 -0.69 0.00 0.00 174.62 174.48 1adl s TRP 8 N 0.36 1.93 -0.03 4.92 0.52 0.11 -0.91 118.94 125.85 1adl s TRP 8 Ca -0.09 -0.39 0.07 0.00 0.02 0.00 0.00 56.10 55.71 1adl s TRP 8 Cb -0.15 -1.13 -0.02 0.00 -1.15 0.00 0.00 33.47 31.02 1adl s TRP 8 CO 0.05 0.14 -0.25 -1.59 0.02 0.00 0.00 176.95 175.32 1adl s LYS 9 N -1.38 2.22 0.21 4.98 -2.85 0.51 -0.24 119.74 123.19 1adl s LYS 9 Ca 0.08 -0.91 -0.31 0.00 -1.00 0.00 0.00 55.97 53.84 1adl s LYS 9 Cb -0.09 -2.09 -0.10 0.00 -2.06 0.00 0.00 37.83 33.49 1adl s LYS 9 CO 0.03 0.53 1.52 -1.17 0.10 0.00 0.00 175.35 176.35 1adl s LEU 10 N -0.54 4.37 -0.06 2.77 2.96 -1.11 -1.49 118.68 125.59 1adl s LEU 10 Ca 0.08 2.67 0.03 0.00 -0.22 0.00 0.00 54.13 56.69 1adl s LEU 10 Cb -0.11 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 42.92 1adl s LEU 10 CO -0.00 -0.78 -0.02 1.33 -1.32 0.00 0.00 176.35 175.56 1adl n VAL 11 N 3.08 0.35 -3.75 1.68 0.24 0.26 -4.91 118.33 115.29 1adl n VAL 11 Ca 0.10 -0.18 -0.12 0.00 -2.04 0.00 0.00 64.34 62.10 1adl n VAL 11 Cb 0.39 -0.80 -0.07 0.00 -1.47 0.00 0.00 33.84 31.88 1adl n VAL 11 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1adl s SER 12 N -4.06 -0.13 0.01 -1.34 1.04 -1.14 -5.00 113.70 103.07 1adl s SER 12 Ca -0.05 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.21 1adl s SER 12 Cb 0.02 0.36 -0.01 0.00 0.10 0.00 0.00 66.02 66.49 1adl s SER 12 CO 0.18 -0.61 -0.01 -0.55 0.98 0.00 0.00 173.24 173.23 1adl s SER 13 N -2.02 0.09 -0.04 7.02 0.15 -1.26 -1.22 113.70 116.41 1adl s SER 13 Ca -0.05 -0.14 -0.01 0.00 0.70 0.00 0.00 55.95 56.45 1adl s SER 13 Cb -0.01 0.02 0.03 0.00 -1.71 0.00 0.00 66.02 64.35 1adl s SER 13 CO -0.03 -0.08 0.03 -0.70 1.20 0.00 0.00 173.24 173.66 1adl s GLU 14 N -0.39 0.16 -1.91 5.44 2.12 -0.03 -4.86 118.70 119.23 1adl s GLU 14 Ca -0.04 0.22 0.00 0.00 0.36 0.00 0.00 54.97 55.51 1adl s GLU 14 Cb -0.03 -0.56 0.00 0.00 0.26 0.00 0.00 34.13 33.81 1adl s GLU 14 CO -0.00 -0.25 0.00 0.09 -0.54 0.00 0.00 175.26 174.55 1adl n ASN 15 N 4.82 -5.23 -0.19 -1.70 3.02 -1.26 -1.61 115.26 113.11 1adl n ASN 15 Ca -0.13 0.40 -0.08 0.00 -0.03 0.00 0.00 54.58 54.74 1adl n ASN 15 Cb 0.50 -4.34 0.02 0.00 -0.61 0.00 0.00 39.78 35.35 1adl n ASN 15 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1adl h PHE 16 N 0.00 0.87 -0.70 3.10 3.57 -1.90 -1.60 116.94 120.28 1adl h PHE 16 Ca -0.38 -0.09 -0.03 0.00 3.53 0.00 0.00 57.97 61.00 1adl h PHE 16 Cb 1.21 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.67 1adl h PHE 16 CO 0.51 0.74 0.30 0.22 -2.23 0.00 0.00 178.31 177.85 1adl h ASP 17 N 0.75 0.92 -0.57 0.41 1.82 -1.95 -0.68 116.42 117.12 1adl h ASP 17 Ca 0.18 -0.12 -0.08 0.00 -0.39 0.00 0.00 57.03 56.61 1adl h ASP 17 Cb 0.28 -0.24 -0.02 0.00 0.68 0.00 0.00 39.33 40.02 1adl h ASP 17 CO -0.01 0.81 0.04 0.44 -1.61 0.00 0.00 179.24 178.91 1adl h ASP 18 N 1.00 0.98 -0.17 2.28 3.32 -1.89 0.79 116.42 122.73 1adl h ASP 18 Ca 0.24 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 1adl h ASP 18 Cb 0.15 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 1adl h ASP 18 CO -0.03 1.01 0.06 0.22 -1.72 0.00 0.00 179.24 178.79 1adl h TYR 19 N 0.94 0.27 -0.74 4.55 3.20 -0.78 -1.74 116.97 122.67 1adl h TYR 19 Ca 0.18 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.00 1adl h TYR 19 Cb 0.49 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.65 1adl h TYR 19 CO 0.03 0.35 0.37 0.52 -1.64 0.00 0.00 178.16 177.79 1adl h MET 20 N 0.12 1.05 -0.34 1.82 2.86 -0.83 -0.70 114.93 118.90 1adl h MET 20 Ca 0.06 -0.14 0.02 0.00 -2.06 0.00 0.00 59.70 57.58 1adl h MET 20 Cb 0.20 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 1adl h MET 20 CO -0.00 0.80 0.17 -0.22 1.06 0.00 0.00 176.91 178.72 1adl h LYS 21 N 1.05 0.35 -0.69 1.72 1.63 -0.65 0.25 116.57 120.23 1adl h LYS 21 Ca 0.26 -0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 59.99 1adl h LYS 21 Cb 0.09 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 31.61 1adl h LYS 21 CO -0.04 0.23 0.23 1.49 -3.45 0.00 0.00 179.45 177.91 1adl h GLU 22 N 0.36 1.05 0.00 1.90 4.57 -0.59 -1.78 114.58 120.08 1adl h GLU 22 Ca 0.14 -0.21 -0.06 0.00 -1.18 0.00 0.00 59.36 58.06 1adl h GLU 22 Cb 0.05 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.47 1adl h GLU 22 CO -0.10 0.89 -0.30 0.28 -1.18 0.00 0.00 179.01 178.60 1adl h VAL 23 N 1.01 0.80 0.00 0.32 2.07 -0.83 -3.47 116.25 116.15 1adl h VAL 23 Ca 0.23 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.52 1adl h VAL 23 Cb 0.27 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1adl h VAL 23 CO -0.01 0.29 0.00 0.61 0.02 0.00 0.00 177.57 178.48 1adl n GLY 24 N -0.03 1.41 3.74 2.17 0.00 -0.31 -5.09 105.19 107.08 1adl n GLY 24 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1adl n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1adl s VAL 25 N -2.00 3.62 0.77 1.61 1.01 -0.08 -5.01 120.40 120.32 1adl s VAL 25 Ca 0.00 1.45 -0.12 0.00 0.00 0.00 0.00 61.98 63.31 1adl s VAL 25 Cb 0.00 -3.93 0.06 0.00 0.00 0.00 0.00 36.38 32.51 1adl s VAL 25 CO 0.00 0.27 1.12 -0.83 0.00 0.00 0.00 175.10 175.66 1adl s GLY 26 N -0.26 1.84 0.15 4.51 0.00 -1.26 -4.66 107.32 107.64 1adl s GLY 26 Ca 0.49 0.44 -0.23 0.00 0.00 0.00 0.00 44.72 45.42 1adl s GLY 26 CO 0.38 0.80 1.62 -2.75 0.00 0.00 0.00 173.10 173.15 1adl h PHE 27 N -0.93 -0.77 -0.36 1.90 3.57 -1.99 0.29 116.94 118.66 1adl h PHE 27 Ca -0.44 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.12 1adl h PHE 27 Cb 1.25 0.38 -0.03 0.00 2.79 0.00 0.00 35.95 40.34 1adl h PHE 27 CO 0.55 -0.36 0.19 0.00 -2.23 0.00 0.00 178.31 176.46 1adl h ALA 28 N 0.71 0.45 -0.57 2.41 0.00 -1.99 -0.65 119.26 119.61 1adl h ALA 28 Ca 0.14 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1adl h ALA 28 Cb 0.50 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1adl h ALA 28 CO -0.43 -0.17 0.07 1.15 0.00 0.00 0.00 179.25 179.88 1adl h THR 29 N 0.39 1.25 -0.76 0.00 2.02 -1.85 -1.66 112.91 112.30 1adl h THR 29 Ca 0.15 -0.97 -0.04 0.00 0.77 0.00 0.00 66.41 66.31 1adl h THR 29 Cb 0.04 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 1adl h THR 29 CO -0.09 0.36 0.32 0.03 0.37 0.00 0.00 175.52 176.50 1adl h ARG 30 N 0.87 1.13 -0.54 6.66 3.08 -0.42 -0.26 114.38 124.90 1adl h ARG 30 Ca 0.18 -0.20 -0.11 0.00 0.07 0.00 0.00 59.98 59.91 1adl h ARG 30 Cb 0.41 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 1adl h ARG 30 CO 0.01 0.91 -0.10 0.87 -1.07 0.00 0.00 179.97 180.60 1adl h LYS 31 N 1.10 1.03 -0.29 0.04 1.79 -0.75 -0.82 116.57 118.66 1adl h LYS 31 Ca 0.26 -0.38 -0.05 0.00 -2.18 0.00 0.00 60.65 58.30 1adl h LYS 31 Cb 0.20 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.77 1adl h LYS 31 CO -0.02 1.07 -0.02 0.28 -1.08 0.00 0.00 179.45 179.67 1adl h VAL 32 N 0.90 1.27 -0.66 0.50 2.07 -1.05 -2.70 116.25 116.58 1adl h VAL 32 Ca 0.14 -0.99 0.02 0.00 0.82 0.00 0.00 66.70 66.70 1adl h VAL 32 Cb 0.67 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 1adl h VAL 32 CO 0.05 0.31 0.42 0.00 0.02 0.00 0.00 177.57 178.37 1adl h ALA 33 N 0.81 0.86 0.00 1.67 0.00 -0.94 -1.84 119.26 119.82 1adl h ALA 33 Ca 0.08 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1adl h ALA 33 Cb 0.47 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1adl h ALA 33 CO 0.02 0.19 -0.02 0.78 0.00 0.00 0.00 179.25 180.22 1adl h GLY 34 N 0.82 0.00 1.30 0.00 0.00 -1.04 -2.87 103.07 101.28 1adl h GLY 34 Ca 0.26 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.32 1adl h GLY 34 CO -0.10 0.00 -1.49 -0.33 0.00 0.00 0.00 176.54 174.63 1adl h MET 35 N 0.00 0.04 -6.79 4.80 2.86 -1.02 -3.47 114.93 111.35 1adl h MET 35 Ca -0.00 -0.07 -0.52 0.00 -2.06 0.00 0.00 59.70 57.05 1adl h MET 35 Cb 0.38 0.03 0.05 0.00 0.06 0.00 0.00 31.60 32.12 1adl h MET 35 CO 0.00 0.74 0.65 0.00 1.06 0.00 0.00 176.91 179.36 1adl s ALA 36 N -2.63 3.52 -0.77 6.32 0.00 -0.88 -4.97 121.76 122.35 1adl s ALA 36 Ca -0.04 1.20 0.03 0.00 0.00 0.00 0.00 51.96 53.14 1adl s ALA 36 Cb 0.08 -3.48 0.20 0.00 0.00 0.00 0.00 23.12 19.92 1adl s ALA 36 CO 0.82 -0.59 0.64 1.17 0.00 0.00 0.00 175.76 177.81 1adl n LYS 37 N 1.65 2.23 -1.28 0.00 4.81 -1.26 -5.00 118.16 119.32 1adl n LYS 37 Ca 0.03 -4.52 -0.32 0.00 -0.87 0.00 0.00 58.31 52.63 1adl n LYS 37 Cb 0.42 -2.33 0.10 0.00 0.02 0.00 0.00 35.03 33.24 1adl n LYS 37 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1adl s PRO 38 N -1.62 2.05 -0.12 1.64 0.04 -1.26 -4.76 135.00 130.98 1adl s PRO 38 Ca 0.28 1.45 -0.01 0.00 0.04 0.00 0.00 61.00 62.75 1adl s PRO 38 Cb -0.02 -1.85 -0.02 0.00 0.04 0.00 0.00 34.50 32.64 1adl s PRO 38 CO -0.13 -1.84 -0.08 -0.80 0.04 0.00 0.00 177.00 174.19 1adl s ASN 39 N -2.73 4.45 -0.16 6.66 0.02 -0.53 -2.74 114.94 119.92 1adl s ASN 39 Ca 0.67 -0.17 -0.04 0.00 -1.02 0.00 0.00 52.86 52.30 1adl s ASN 39 Cb -0.22 -1.49 -0.03 0.00 0.02 0.00 0.00 41.25 39.53 1adl s ASN 39 CO 0.51 0.23 -0.02 -0.32 0.02 0.00 0.00 177.10 177.52 1adl s MET 40 N -0.04 3.72 -0.17 -0.60 -2.45 0.67 -0.78 119.30 119.65 1adl s MET 40 Ca -0.01 -0.49 0.01 0.00 -1.25 0.00 0.00 55.69 53.96 1adl s MET 40 Cb -0.14 -2.96 0.02 0.00 1.25 0.00 0.00 34.83 33.00 1adl s MET 40 CO 0.03 0.25 -0.20 0.42 1.05 0.00 0.00 175.02 176.57 1adl s ILE 41 N 0.35 2.09 -0.08 10.11 1.01 0.76 0.10 121.20 135.53 1adl s ILE 41 Ca -0.03 -0.94 0.04 0.00 0.00 0.00 0.00 60.65 59.71 1adl s ILE 41 Cb -0.14 -1.86 -0.01 0.00 0.01 0.00 0.00 42.46 40.46 1adl s ILE 41 CO 0.02 0.54 -0.20 -0.63 0.00 0.00 0.00 174.94 174.67 1adl s ILE 42 N 1.14 2.44 0.05 2.92 1.01 -0.26 -0.68 121.20 127.82 1adl s ILE 42 Ca 0.01 -0.91 -0.06 0.00 0.00 0.00 0.00 60.65 59.70 1adl s ILE 42 Cb -0.14 -1.95 -0.01 0.00 0.01 0.00 0.00 42.46 40.37 1adl s ILE 42 CO -0.09 0.56 0.10 -0.94 0.00 0.00 0.00 174.94 174.57 1adl s SER 43 N -0.01 0.20 -0.02 3.58 1.04 -0.55 -1.74 113.70 116.20 1adl s SER 43 Ca -0.07 -0.61 0.03 0.00 0.48 0.00 0.00 55.95 55.78 1adl s SER 43 Cb -0.15 0.25 -0.00 0.00 0.10 0.00 0.00 66.02 66.22 1adl s SER 43 CO 0.05 -0.57 -0.12 -0.69 0.98 0.00 0.00 173.24 172.90 1adl s VAL 44 N -3.03 0.96 -0.27 5.02 1.01 -1.26 -0.51 120.40 122.31 1adl s VAL 44 Ca -0.01 -0.48 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 1adl s VAL 44 Cb 0.01 -0.83 0.09 0.00 0.00 0.00 0.00 36.38 35.66 1adl s VAL 44 CO -0.07 0.29 0.12 0.21 0.00 0.00 0.00 175.10 175.65 1adl s ASN 45 N 0.01 3.37 1.48 3.32 3.04 0.11 -5.02 114.94 121.26 1adl s ASN 45 Ca -0.01 -1.19 0.00 0.00 0.04 0.00 0.00 52.86 51.70 1adl s ASN 45 Cb -0.08 -0.34 0.00 0.00 -1.54 0.00 0.00 41.25 39.29 1adl s ASN 45 CO 0.00 -0.43 0.00 0.61 -3.04 0.00 0.00 177.10 174.25 1adl n GLY 46 N 5.25 1.89 1.22 1.21 0.00 -1.26 -1.90 105.19 111.60 1adl n GLY 46 Ca -0.06 -0.41 0.10 0.00 0.00 0.00 0.00 46.02 45.65 1adl n GLY 46 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1adl n ASP 47 N 6.03 3.54 -4.64 1.61 8.00 -1.26 -4.87 116.55 124.96 1adl n ASP 47 Ca 0.00 -2.05 -0.36 0.00 0.71 0.00 0.00 54.79 53.09 1adl n ASP 47 Cb 0.00 -0.44 -0.10 0.00 -0.02 0.00 0.00 41.12 40.56 1adl n ASP 47 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1adl s LEU 48 N -1.09 4.00 -0.09 0.64 1.43 -0.80 -4.32 118.68 118.45 1adl s LEU 48 Ca 0.43 0.08 -0.02 0.00 -1.03 0.00 0.00 54.13 53.59 1adl s LEU 48 Cb 0.23 -2.06 -0.03 0.00 0.03 0.00 0.00 46.19 44.36 1adl s LEU 48 CO 0.28 0.08 -0.02 -0.69 0.23 0.00 0.00 176.35 176.23 1adl s VAL 49 N 0.97 4.10 -0.09 -1.59 1.01 0.03 -0.71 120.40 124.12 1adl s VAL 49 Ca 0.07 -0.32 0.04 0.00 0.00 0.00 0.00 61.98 61.76 1adl s VAL 49 Cb -0.13 -2.73 0.00 0.00 0.00 0.00 0.00 36.38 33.52 1adl s VAL 49 CO 0.03 0.58 -0.22 -0.89 0.00 0.00 0.00 175.10 174.61 1adl s THR 50 N -0.63 1.86 -0.19 3.92 2.01 0.33 -1.08 115.64 121.87 1adl s THR 50 Ca 0.10 -0.91 0.01 0.00 0.31 0.00 0.00 61.69 61.21 1adl s THR 50 Cb -0.12 -1.62 0.03 0.00 0.01 0.00 0.00 72.50 70.80 1adl s THR 50 CO 0.02 0.52 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.65 1adl s ILE 51 N 0.40 2.05 -0.07 1.82 1.01 -0.13 -1.48 121.20 124.79 1adl s ILE 51 Ca -0.18 -1.03 0.06 0.00 0.00 0.00 0.00 60.65 59.50 1adl s ILE 51 Cb -0.17 -1.90 -0.01 0.00 0.01 0.00 0.00 42.46 40.39 1adl s ILE 51 CO 0.08 0.45 -0.25 -0.60 0.00 0.00 0.00 174.94 174.62 1adl s ARG 52 N 1.27 2.68 -0.15 2.79 3.52 0.15 -1.70 118.95 127.51 1adl s ARG 52 Ca 0.03 -0.89 0.00 0.00 -0.13 0.00 0.00 55.73 54.74 1adl s ARG 52 Cb -0.14 -2.19 -0.00 0.00 -1.56 0.00 0.00 34.95 31.05 1adl s ARG 52 CO -0.12 0.32 -0.15 -1.12 -0.81 0.00 0.00 175.30 173.42 1adl s SER 53 N -0.02 3.69 -0.09 -2.12 0.01 -0.04 -0.17 113.70 114.96 1adl s SER 53 Ca -0.08 -0.45 0.04 0.00 1.31 0.00 0.00 55.95 56.77 1adl s SER 53 Cb -0.15 -1.57 -0.00 0.00 0.21 0.00 0.00 66.02 64.51 1adl s SER 53 CO 0.05 0.10 -0.23 -1.61 0.41 0.00 0.00 173.24 171.96 1adl s GLU 54 N 0.75 2.95 0.05 12.44 2.02 0.04 -0.46 118.70 136.49 1adl s GLU 54 Ca -0.06 -0.86 -0.12 0.00 0.02 0.00 0.00 54.97 53.94 1adl s GLU 54 Cb -0.15 -2.30 0.01 0.00 0.10 0.00 0.00 34.13 31.79 1adl s GLU 54 CO 0.01 0.24 0.27 -1.54 0.02 0.00 0.00 175.26 174.26 1adl s SER 55 N 0.20 -0.07 0.36 -0.19 1.04 -1.07 -1.45 113.70 112.52 1adl s SER 55 Ca -0.14 -0.29 0.12 0.00 0.48 0.00 0.00 55.95 56.12 1adl s SER 55 Cb -0.17 0.35 0.90 0.00 0.10 0.00 0.00 66.02 67.20 1adl s SER 55 CO 0.07 -0.63 1.82 0.71 0.98 0.00 0.00 173.24 176.19 1adl h THR 56 N 3.16 0.70 0.00 2.02 1.35 -1.99 -2.69 112.91 115.46 1adl h THR 56 Ca -0.32 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 1adl h THR 56 Cb 1.20 0.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.67 1adl h THR 56 CO 0.48 0.11 -1.41 0.49 -0.25 0.00 0.00 175.52 174.94 1adl n PHE 57 N -4.63 0.27 -3.64 4.73 3.72 -1.26 -4.97 117.46 111.68 1adl n PHE 57 Ca 0.21 0.08 -0.07 0.00 -0.05 0.00 0.00 57.45 57.62 1adl n PHE 57 Cb 0.63 -0.52 -0.07 0.00 -0.94 0.00 0.00 39.48 38.58 1adl n PHE 57 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1adl s LYS 58 N -3.34 0.60 -0.06 -1.08 2.20 -1.02 -5.15 119.74 111.89 1adl s LYS 58 Ca -0.01 0.92 0.03 0.00 -0.36 0.00 0.00 55.97 56.55 1adl s LYS 58 Cb 0.13 0.18 -0.02 0.00 -1.51 0.00 0.00 37.83 36.61 1adl s LYS 58 CO 0.85 -0.11 -0.14 -0.80 -0.36 0.00 0.00 175.35 174.79 1adl s ASN 59 N 1.12 4.02 0.17 1.43 0.01 -1.26 -2.59 114.94 117.83 1adl s ASN 59 Ca -0.06 -0.21 0.07 0.00 -0.71 0.00 0.00 52.86 51.95 1adl s ASN 59 Cb -0.05 -0.93 -0.04 0.00 0.41 0.00 0.00 41.25 40.64 1adl s ASN 59 CO -0.13 0.32 -0.15 0.42 -1.51 0.00 0.00 177.10 176.05 1adl s THR 60 N -0.60 1.62 -0.22 1.60 -4.23 0.39 -4.97 115.64 109.23 1adl s THR 60 Ca 0.09 -1.98 -0.17 0.00 -1.18 0.00 0.00 61.69 58.45 1adl s THR 60 Cb -0.11 -1.83 0.06 0.00 1.34 0.00 0.00 72.50 71.95 1adl s THR 60 CO 0.01 -0.47 0.56 -0.70 -0.54 0.00 0.00 174.62 173.48 1adl s GLU 61 N -3.13 0.62 -0.02 3.99 2.12 -1.26 -0.86 118.70 120.16 1adl s GLU 61 Ca 0.16 0.87 0.01 0.00 0.36 0.00 0.00 54.97 56.37 1adl s GLU 61 Cb -0.03 0.22 0.01 0.00 0.26 0.00 0.00 34.13 34.59 1adl s GLU 61 CO 0.05 -0.11 -0.02 0.96 -0.54 0.00 0.00 175.26 175.61 1adl s ILE 62 N 0.76 0.23 -0.07 -3.70 -4.36 -0.69 -4.98 121.20 108.39 1adl s ILE 62 Ca -0.04 -0.04 0.04 0.00 -0.26 0.00 0.00 60.65 60.35 1adl s ILE 62 Cb -0.05 -0.26 0.00 0.00 1.25 0.00 0.00 42.46 43.40 1adl s ILE 62 CO -0.06 0.11 -0.20 -0.44 0.24 0.00 0.00 174.94 174.60 1adl s SER 63 N 0.44 2.56 0.20 4.36 0.01 -1.26 -0.95 113.70 119.06 1adl s SER 63 Ca -0.04 -0.44 -0.16 0.00 1.31 0.00 0.00 55.95 56.61 1adl s SER 63 Cb -0.07 -1.03 0.02 0.00 0.21 0.00 0.00 66.02 65.15 1adl s SER 63 CO -0.01 0.14 0.49 0.72 0.41 0.00 0.00 173.24 174.99 1adl s PHE 64 N 0.30 -0.02 -0.14 2.43 -0.71 -0.24 -4.95 117.98 114.65 1adl s PHE 64 Ca -0.13 -0.33 -0.04 0.00 -1.04 0.00 0.00 56.93 55.39 1adl s PHE 64 Cb -0.16 0.33 -0.03 0.00 -1.21 0.00 0.00 43.02 41.95 1adl s PHE 64 CO 0.06 -0.91 -0.01 0.21 -1.34 0.00 0.00 175.22 173.23 1adl s LYS 65 N -3.90 3.55 0.05 1.99 2.20 -1.26 -0.79 119.74 121.57 1adl s LYS 65 Ca 0.11 -0.47 -0.30 0.00 -0.36 0.00 0.00 55.97 54.95 1adl s LYS 65 Cb -0.01 -2.93 -0.09 0.00 -1.51 0.00 0.00 37.83 33.30 1adl s LYS 65 CO -0.01 0.36 1.95 -0.51 -0.36 0.00 0.00 175.35 176.78 1adl s LEU 66 N 0.05 4.43 0.00 5.43 1.43 -1.26 -2.12 118.68 126.64 1adl s LEU 66 Ca 0.01 2.68 0.00 0.00 -1.03 0.00 0.00 54.13 55.80 1adl s LEU 66 Cb -0.13 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.55 1adl s LEU 66 CO 0.02 -1.05 0.00 0.61 0.23 0.00 0.00 176.35 176.16 1adl n GLY 67 N 4.51 0.18 3.40 -3.19 0.00 0.11 -4.97 105.19 105.23 1adl n GLY 67 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 1adl n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1adl s VAL 68 N -2.00 3.86 0.32 1.61 1.01 -0.90 -4.96 120.40 119.34 1adl s VAL 68 Ca 0.00 -0.33 -0.29 0.00 0.00 0.00 0.00 61.98 61.36 1adl s VAL 68 Cb 0.00 -2.77 -0.10 0.00 0.00 0.00 0.00 36.38 33.51 1adl s VAL 68 CO 0.00 0.40 1.37 -0.70 0.00 0.00 0.00 175.10 176.17 1adl s GLU 69 N 1.35 4.30 0.16 2.72 2.12 -1.26 -4.66 118.70 123.43 1adl s GLU 69 Ca 0.04 2.29 -0.04 0.00 0.36 0.00 0.00 54.97 57.62 1adl s GLU 69 Cb -0.15 -3.06 -0.03 0.00 0.26 0.00 0.00 34.13 31.15 1adl s GLU 69 CO 0.01 -0.30 0.17 -0.59 -0.54 0.00 0.00 175.26 174.01 1adl s PHE 70 N -0.87 0.72 0.02 5.30 -0.71 0.21 -4.96 117.98 117.69 1adl s PHE 70 Ca 0.52 -1.07 -0.22 0.00 -1.04 0.00 0.00 56.93 55.12 1adl s PHE 70 Cb -0.41 -0.31 -0.05 0.00 -1.21 0.00 0.00 43.02 41.03 1adl s PHE 70 CO 0.52 -0.64 0.65 -0.51 -1.34 0.00 0.00 175.22 173.91 1adl s ASP 71 N -3.04 7.07 -0.00 1.98 1.01 -1.26 -0.50 116.67 121.92 1adl s ASP 71 Ca 0.24 1.27 0.01 0.00 0.71 0.00 0.00 52.55 54.78 1adl s ASP 71 Cb 0.05 -2.40 -0.00 0.00 1.01 0.00 0.00 42.92 41.58 1adl s ASP 71 CO 0.03 0.08 -0.04 -0.70 0.21 0.00 0.00 175.17 174.75 1adl s GLU 72 N -0.20 0.36 -0.30 8.23 2.12 -0.41 -4.93 118.70 123.56 1adl s GLU 72 Ca 0.33 -0.15 -0.06 0.00 0.36 0.00 0.00 54.97 55.46 1adl s GLU 72 Cb -0.19 -0.35 0.02 0.00 0.26 0.00 0.00 34.13 33.87 1adl s GLU 72 CO 0.19 0.09 0.07 0.42 -0.54 0.00 0.00 175.26 175.49 1adl s ILE 73 N -0.07 3.72 0.80 -3.70 -1.09 -1.26 -0.79 121.20 118.82 1adl s ILE 73 Ca 0.01 -0.92 -0.11 0.00 -2.23 0.00 0.00 60.65 57.40 1adl s ILE 73 Cb -0.02 -2.99 0.07 0.00 -1.58 0.00 0.00 42.46 37.93 1adl s ILE 73 CO -0.00 -0.01 1.10 0.42 -1.23 0.00 0.00 174.94 175.22 1adl s THR 74 N 1.43 3.09 0.35 2.92 -4.23 0.02 -4.90 115.64 114.33 1adl s THR 74 Ca 0.00 0.35 0.08 0.00 -1.18 0.00 0.00 61.69 60.95 1adl s THR 74 Cb -0.18 -3.09 0.31 0.00 1.34 0.00 0.00 72.50 70.88 1adl s THR 74 CO 0.02 -0.46 1.89 0.00 -0.54 0.00 0.00 174.62 175.53 1adl h ALA 75 N -1.09 1.79 -0.24 3.99 0.00 -1.97 0.23 119.26 121.97 1adl h ALA 75 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1adl h ALA 75 Cb 1.27 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1adl h ALA 75 CO 0.59 0.01 0.00 -0.40 0.00 0.00 0.00 179.25 179.45 1adl n ASP 76 N -4.53 2.20 -1.41 0.00 5.75 -1.26 -4.91 116.55 112.39 1adl n ASP 76 Ca 0.15 -2.19 -0.12 0.00 -0.01 0.00 0.00 54.79 52.62 1adl n ASP 76 Cb 0.40 -0.40 -0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1adl n ASP 76 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1adl n ASP 77 N 0.27 -3.79 -4.85 -1.12 8.00 0.80 -5.03 116.55 110.83 1adl n ASP 77 Ca 0.10 -0.04 -0.35 0.00 0.71 0.00 0.00 54.79 55.21 1adl n ASP 77 Cb 0.44 -2.94 -0.06 0.00 -0.02 0.00 0.00 41.12 38.54 1adl n ASP 77 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1adl s ARG 78 N -4.70 3.88 -0.41 -1.24 0.52 -1.25 -4.83 118.95 110.92 1adl s ARG 78 Ca 0.03 0.35 -0.13 0.00 -0.52 0.00 0.00 55.73 55.47 1adl s ARG 78 Cb -0.01 -2.99 0.04 0.00 0.52 0.00 0.00 34.95 32.51 1adl s ARG 78 CO 0.04 0.53 0.27 0.21 0.02 0.00 0.00 175.30 176.38 1adl s LYS 79 N -1.85 2.86 0.34 3.54 2.20 -1.26 -0.80 119.74 124.77 1adl s LYS 79 Ca 0.34 -1.16 0.07 0.00 -0.36 0.00 0.00 55.97 54.86 1adl s LYS 79 Cb -0.15 -3.88 -0.07 0.00 -1.51 0.00 0.00 37.83 32.23 1adl s LYS 79 CO 0.18 -0.81 -0.02 0.14 -0.36 0.00 0.00 175.35 174.48 1adl s VAL 80 N 1.59 1.79 -0.25 4.02 -7.23 0.03 -4.82 120.40 115.53 1adl s VAL 80 Ca 0.03 -2.08 -0.07 0.00 -1.81 0.00 0.00 61.98 58.05 1adl s VAL 80 Cb -0.21 -2.73 -0.02 0.00 0.56 0.00 0.00 36.38 33.98 1adl s VAL 80 CO 0.07 -0.12 0.06 -0.75 -0.31 0.00 0.00 175.10 174.04 1adl s LYS 81 N -3.73 3.56 0.12 4.82 2.47 -0.37 -1.29 119.74 125.32 1adl s LYS 81 Ca 0.33 -0.54 0.10 0.00 -1.56 0.00 0.00 55.97 54.30 1adl s LYS 81 Cb 0.06 -3.29 -0.04 0.00 -1.46 0.00 0.00 37.83 33.11 1adl s LYS 81 CO 0.16 -0.22 -0.22 -1.12 0.16 0.00 0.00 175.35 174.10 1adl s SER 82 N 1.59 3.61 -0.01 1.43 0.01 0.34 -0.73 113.70 119.93 1adl s SER 82 Ca 0.06 -0.64 0.00 0.00 1.31 0.00 0.00 55.95 56.68 1adl s SER 82 Cb -0.15 -0.39 0.02 0.00 0.21 0.00 0.00 66.02 65.70 1adl s SER 82 CO 0.03 0.18 0.02 -0.51 0.41 0.00 0.00 173.24 173.37 1adl s ILE 83 N -1.09 -0.02 -0.09 1.44 2.07 -0.81 -0.62 121.20 122.08 1adl s ILE 83 Ca 0.16 0.13 0.02 0.00 -1.41 0.00 0.00 60.65 59.54 1adl s ILE 83 Cb -0.10 -0.06 0.02 0.00 0.13 0.00 0.00 42.46 42.44 1adl s ILE 83 CO 0.08 0.06 -0.12 -0.63 -1.91 0.00 0.00 174.94 172.41 1adl s ILE 84 N 0.66 1.22 0.27 2.00 1.01 -1.26 -1.37 121.20 123.73 1adl s ILE 84 Ca -0.06 -0.49 0.09 0.00 0.00 0.00 0.00 60.65 60.19 1adl s ILE 84 Cb -0.08 -1.14 -0.05 0.00 0.01 0.00 0.00 42.46 41.20 1adl s ILE 84 CO -0.02 0.38 -0.12 0.42 0.00 0.00 0.00 174.94 175.60 1adl s THR 85 N 0.95 1.94 -0.36 2.92 -4.23 -0.63 -0.71 115.64 115.52 1adl s THR 85 Ca -0.09 -2.23 -0.09 0.00 -1.18 0.00 0.00 61.69 58.10 1adl s THR 85 Cb -0.15 -2.33 0.03 0.00 1.34 0.00 0.00 72.50 71.39 1adl s THR 85 CO 0.00 -0.40 0.17 -0.22 -0.54 0.00 0.00 174.62 173.63 1adl s LEU 86 N -3.44 4.53 -0.06 4.79 2.96 -1.26 -0.92 118.68 125.28 1adl s LEU 86 Ca 0.28 -1.01 0.00 0.00 -0.22 0.00 0.00 54.13 53.18 1adl s LEU 86 Cb 0.00 -1.97 0.02 0.00 0.50 0.00 0.00 46.19 44.75 1adl s LEU 86 CO 0.12 -0.35 -0.05 -1.81 -1.32 0.00 0.00 176.35 172.94 1adl s ASP 87 N 1.50 1.38 -1.96 3.68 1.01 -0.14 -4.82 116.67 117.32 1adl s ASP 87 Ca 0.01 -0.16 0.00 0.00 0.71 0.00 0.00 52.55 53.11 1adl s ASP 87 Cb -0.19 -0.55 0.00 0.00 1.01 0.00 0.00 42.92 43.19 1adl s ASP 87 CO 0.05 -0.09 0.00 0.61 0.21 0.00 0.00 175.17 175.96 1adl n GLY 88 N 4.41 1.09 1.36 0.21 0.00 -1.26 -1.00 105.19 110.00 1adl n GLY 88 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1adl n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1adl n GLY 89 N -0.57 0.74 3.41 -0.02 0.00 -1.26 -5.05 105.19 102.43 1adl n GLY 89 Ca -0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.53 1adl n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1adl s ALA 90 N -2.41 2.45 -0.33 4.61 0.00 -0.17 -4.67 121.76 121.24 1adl s ALA 90 Ca 0.00 -1.52 -0.20 0.00 0.00 0.00 0.00 51.96 50.24 1adl s ALA 90 Cb 0.00 -0.38 -0.00 0.00 0.00 0.00 0.00 23.12 22.74 1adl s ALA 90 CO 0.00 0.50 0.60 -0.51 0.00 0.00 0.00 175.76 176.35 1adl s LEU 91 N -2.28 4.23 -0.29 0.00 1.43 -0.16 -0.96 118.68 120.65 1adl s LEU 91 Ca 0.17 0.21 -0.07 0.00 -1.03 0.00 0.00 54.13 53.41 1adl s LEU 91 Cb -0.09 -2.74 0.00 0.00 0.03 0.00 0.00 46.19 43.39 1adl s LEU 91 CO 0.08 -0.51 0.08 -0.69 0.23 0.00 0.00 176.35 175.53 1adl s VAL 92 N 2.58 4.00 -0.12 -1.59 1.01 -0.09 -1.10 120.40 125.08 1adl s VAL 92 Ca 0.23 -0.62 -0.02 0.00 0.00 0.00 0.00 61.98 61.58 1adl s VAL 92 Cb -0.15 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 1adl s VAL 92 CO 0.13 0.12 -0.05 -1.58 0.00 0.00 0.00 175.10 173.72 1adl s GLN 93 N 1.52 3.30 -0.11 2.72 0.74 0.33 -1.61 119.66 126.54 1adl s GLN 93 Ca 0.03 -0.54 0.03 0.00 0.05 0.00 0.00 55.36 54.94 1adl s GLN 93 Cb -0.17 -2.77 0.01 0.00 1.10 0.00 0.00 33.01 31.18 1adl s GLN 93 CO 0.02 0.41 -0.21 0.08 -0.55 0.00 0.00 175.29 175.04 1adl s VAL 94 N -0.11 1.90 -0.11 1.34 1.01 -0.47 -0.37 120.40 123.58 1adl s VAL 94 Ca 0.02 -0.90 -0.00 0.00 0.00 0.00 0.00 61.98 61.09 1adl s VAL 94 Cb -0.13 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.56 1adl s VAL 94 CO 0.03 0.52 -0.09 -1.10 0.00 0.00 0.00 175.10 174.46 1adl s GLN 95 N 0.62 3.16 -0.04 2.72 -0.21 -0.51 -1.93 119.66 123.47 1adl s GLN 95 Ca -0.13 -0.60 0.04 0.00 0.02 0.00 0.00 55.36 54.69 1adl s GLN 95 Cb -0.17 -2.66 -0.01 0.00 1.00 0.00 0.00 33.01 31.18 1adl s GLN 95 CO 0.03 0.41 -0.17 0.15 -2.12 0.00 0.00 175.29 173.59 1adl s LYS 96 N -0.13 1.71 -0.28 2.91 1.02 0.09 -1.76 119.74 123.29 1adl s LYS 96 Ca 0.01 -0.61 -0.23 0.00 0.02 0.00 0.00 55.97 55.16 1adl s LYS 96 Cb -0.13 -1.51 0.10 0.00 -0.52 0.00 0.00 37.83 35.76 1adl s LYS 96 CO 0.03 0.27 0.84 1.67 -0.92 0.00 0.00 175.35 177.24 1adl s TRP 97 N -0.04 -0.71 -1.62 3.18 -2.14 -0.60 -1.23 118.94 115.78 1adl s TRP 97 Ca -0.02 1.64 -0.13 0.00 2.66 0.00 0.00 56.10 60.25 1adl s TRP 97 Cb -0.11 0.36 0.11 0.00 -3.10 0.00 0.00 33.47 30.74 1adl s TRP 97 CO 0.02 -0.34 0.67 -0.25 -2.66 0.00 0.00 176.95 174.38 1adl n ASP 98 N 2.87 -2.43 0.00 -2.66 8.00 -1.26 -0.11 116.55 120.97 1adl n ASP 98 Ca -0.15 -1.02 0.00 0.00 0.71 0.00 0.00 54.79 54.34 1adl n ASP 98 Cb 0.56 -2.81 0.00 0.00 -0.02 0.00 0.00 41.12 38.85 1adl n ASP 98 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1adl n GLY 99 N -1.60 0.51 3.75 0.44 0.00 -1.26 -5.01 105.19 102.02 1adl n GLY 99 Ca -0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 1adl n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1adl s LYS 100 N -0.41 2.34 -0.00 1.61 1.02 0.85 -5.15 119.74 119.99 1adl s LYS 100 Ca 0.00 -1.63 -0.25 0.00 0.02 0.00 0.00 55.97 54.12 1adl s LYS 100 Cb 0.00 -2.14 0.05 0.00 -0.52 0.00 0.00 37.83 35.23 1adl s LYS 100 CO 0.00 0.02 0.55 -1.54 -0.92 0.00 0.00 175.35 173.47 1adl s SER 101 N -3.89 -0.49 0.01 2.83 1.04 -1.26 -1.55 113.70 110.39 1adl s SER 101 Ca 0.39 0.38 -0.05 0.00 0.48 0.00 0.00 55.95 57.16 1adl s SER 101 Cb -0.01 0.48 -0.00 0.00 0.10 0.00 0.00 66.02 66.59 1adl s SER 101 CO 0.23 -0.63 0.09 0.28 0.98 0.00 0.00 173.24 174.19 1adl s THR 102 N -1.75 0.09 -0.07 2.02 -1.32 -0.72 -4.73 115.64 109.15 1adl s THR 102 Ca -0.09 -0.76 0.03 0.00 -1.21 0.00 0.00 61.69 59.65 1adl s THR 102 Cb -0.01 -0.39 -0.02 0.00 -1.51 0.00 0.00 72.50 70.56 1adl s THR 102 CO 0.04 -0.42 -0.15 -0.89 -2.21 0.00 0.00 174.62 170.99 1adl s THR 103 N -1.43 2.98 -0.17 5.08 2.01 -0.92 -1.43 115.64 121.76 1adl s THR 103 Ca -0.15 -0.73 0.00 0.00 0.31 0.00 0.00 61.69 61.12 1adl s THR 103 Cb -0.08 -2.19 0.04 0.00 0.01 0.00 0.00 72.50 70.28 1adl s THR 103 CO 0.01 0.57 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.79 1adl s ILE 104 N -0.38 1.37 -0.13 1.82 1.01 0.50 -1.00 121.20 124.39 1adl s ILE 104 Ca 0.04 -0.73 -0.02 0.00 0.00 0.00 0.00 60.65 59.93 1adl s ILE 104 Cb -0.12 -1.45 -0.03 0.00 0.01 0.00 0.00 42.46 40.87 1adl s ILE 104 CO 0.02 0.22 -0.05 -0.54 0.00 0.00 0.00 174.94 174.59 1adl s LYS 105 N 1.53 3.40 -0.17 2.79 1.02 0.39 -0.51 119.74 128.18 1adl s LYS 105 Ca 0.01 -0.52 0.01 0.00 0.02 0.00 0.00 55.97 55.48 1adl s LYS 105 Cb -0.15 -2.82 0.01 0.00 -0.52 0.00 0.00 37.83 34.36 1adl s LYS 105 CO -0.08 0.37 -0.19 1.03 -0.92 0.00 0.00 175.35 175.56 1adl s ARG 106 N -0.01 3.04 0.11 1.68 0.52 -0.26 -0.42 118.95 123.62 1adl s ARG 106 Ca 0.00 -0.81 -0.03 0.00 -0.52 0.00 0.00 55.73 54.37 1adl s ARG 106 Cb -0.13 -2.58 -0.03 0.00 0.52 0.00 0.00 34.95 32.72 1adl s ARG 106 CO 0.03 -0.15 0.09 -1.59 0.02 0.00 0.00 175.30 173.69 1adl s LYS 107 N 1.17 0.87 -0.03 3.54 -2.85 -0.15 -0.99 119.74 121.31 1adl s LYS 107 Ca 0.02 -1.29 -0.12 0.00 -1.00 0.00 0.00 55.97 53.58 1adl s LYS 107 Cb -0.14 0.27 -0.05 0.00 -2.06 0.00 0.00 37.83 35.85 1adl s LYS 107 CO -0.09 -0.25 0.33 1.03 0.10 0.00 0.00 175.35 176.47 1adl s ARG 108 N -3.98 3.76 -0.25 1.78 1.81 -1.26 0.01 118.95 120.82 1adl s ARG 108 Ca 0.16 0.22 -0.04 0.00 -1.72 0.00 0.00 55.73 54.36 1adl s ARG 108 Cb 0.07 -3.19 0.09 0.00 -0.45 0.00 0.00 34.95 31.47 1adl s ARG 108 CO -0.03 0.70 0.16 0.34 -0.68 0.00 0.00 175.30 175.80 1adl s ASP 109 N -1.15 2.59 1.70 0.23 -1.08 -0.45 -4.89 116.67 113.61 1adl s ASP 109 Ca 0.22 -0.86 0.00 0.00 -0.52 0.00 0.00 52.55 51.39 1adl s ASP 109 Cb -0.15 -0.07 0.00 0.00 -1.46 0.00 0.00 42.92 41.24 1adl s ASP 109 CO 0.11 -0.39 0.00 0.61 0.52 0.00 0.00 175.17 176.02 1adl n GLY 110 N 5.28 3.14 1.25 2.66 0.00 -1.26 -1.13 105.19 115.12 1adl n GLY 110 Ca -0.06 -0.17 0.12 0.00 0.00 0.00 0.00 46.02 45.92 1adl n GLY 110 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1adl n ASP 111 N 7.18 3.69 -4.92 1.61 5.75 -1.26 -4.96 116.55 123.63 1adl n ASP 111 Ca 0.00 -2.00 -0.20 0.00 -0.01 0.00 0.00 54.79 52.58 1adl n ASP 111 Cb 0.00 -0.35 -0.02 0.00 -1.03 0.00 0.00 41.12 39.72 1adl n ASP 111 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1adl s LYS 112 N -1.31 2.98 -0.17 0.11 -0.14 -0.29 -4.51 119.74 116.42 1adl s LYS 112 Ca 0.43 -1.10 0.01 0.00 -1.36 0.00 0.00 55.97 53.95 1adl s LYS 112 Cb 0.24 -2.67 0.01 0.00 -1.68 0.00 0.00 37.83 33.73 1adl s LYS 112 CO 0.33 0.14 -0.19 -1.17 -0.76 0.00 0.00 175.35 173.70 1adl s LEU 113 N -4.05 2.22 -0.14 3.17 0.20 -0.30 -1.34 118.68 118.43 1adl s LEU 113 Ca 0.41 -0.59 -0.03 0.00 0.69 0.00 0.00 54.13 54.61 1adl s LEU 113 Cb -0.08 -1.50 -0.02 0.00 -0.43 0.00 0.00 46.19 44.16 1adl s LEU 113 CO 0.29 0.03 -0.06 -0.69 -0.29 0.00 0.00 176.35 175.63 1adl s VAL 114 N 1.10 3.72 -0.19 1.68 1.01 0.10 -0.39 120.40 127.43 1adl s VAL 114 Ca 0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 61.98 61.53 1adl s VAL 114 Cb -0.14 -2.61 -0.01 0.00 0.00 0.00 0.00 36.38 33.62 1adl s VAL 114 CO -0.07 0.51 -0.07 -0.69 0.00 0.00 0.00 175.10 174.78 1adl s VAL 115 N 0.29 3.30 -0.16 2.92 1.01 0.09 -0.98 120.40 126.87 1adl s VAL 115 Ca -0.05 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.41 1adl s VAL 115 Cb -0.14 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.77 1adl s VAL 115 CO 0.03 0.46 -0.17 -0.70 0.00 0.00 0.00 175.10 174.72 1adl s GLU 116 N 1.13 3.16 -0.11 2.72 2.12 0.44 -0.79 118.70 127.37 1adl s GLU 116 Ca 0.01 -0.77 0.01 0.00 0.36 0.00 0.00 54.97 54.58 1adl s GLU 116 Cb -0.15 -2.59 -0.02 0.00 0.26 0.00 0.00 34.13 31.64 1adl s GLU 116 CO -0.01 -0.01 -0.14 0.00 -0.54 0.00 0.00 175.26 174.56 1adl s VAL 118 N 0.08 1.30 -0.16 0.00 1.01 -0.17 -0.77 120.40 121.69 1adl s VAL 118 Ca -0.06 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 1adl s VAL 118 Cb -0.15 -1.16 0.06 0.00 0.00 0.00 0.00 36.38 35.13 1adl s VAL 118 CO 0.04 0.39 0.12 -0.32 0.00 0.00 0.00 175.10 175.34 1adl s MET 119 N 0.57 0.08 -1.31 2.72 1.75 -0.39 -2.16 119.30 120.56 1adl s MET 119 Ca -0.15 0.07 -0.16 0.00 -1.25 0.00 0.00 55.69 54.20 1adl s MET 119 Cb -0.16 -1.47 0.01 0.00 2.84 0.00 0.00 34.83 36.05 1adl s MET 119 CO 0.04 -0.61 0.51 1.63 -0.65 0.00 0.00 175.02 175.94 1adl n LYS 120 N 5.29 -1.41 0.00 4.11 5.02 -1.26 -1.20 118.16 128.72 1adl n LYS 120 Ca -0.06 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 1adl n LYS 120 Cb 0.49 -3.64 0.00 0.00 -0.02 0.00 0.00 35.03 31.86 1adl n LYS 120 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1adl n GLY 121 N -2.07 2.73 3.68 0.72 0.00 -1.26 -4.99 105.19 104.00 1adl n GLY 121 Ca -0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 1adl n GLY 121 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1adl s VAL 122 N -1.11 4.58 -0.10 1.61 1.01 -0.34 -5.03 120.40 121.02 1adl s VAL 122 Ca 0.00 1.88 0.03 0.00 0.00 0.00 0.00 61.98 63.89 1adl s VAL 122 Cb 0.00 -4.21 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 1adl s VAL 122 CO 0.00 -0.06 -0.20 0.42 0.00 0.00 0.00 175.10 175.26 1adl s THR 123 N 2.52 2.40 -0.00 3.92 -4.23 -1.26 -1.26 115.64 117.72 1adl s THR 123 Ca 0.50 -0.91 0.06 0.00 -1.18 0.00 0.00 61.69 60.16 1adl s THR 123 Cb -0.19 -1.94 -0.03 0.00 1.34 0.00 0.00 72.50 71.68 1adl s THR 123 CO 0.16 0.55 -0.17 -0.55 -0.54 0.00 0.00 174.62 174.06 1adl s SER 124 N 0.21 3.80 -0.12 3.99 0.15 0.05 -4.73 113.70 117.06 1adl s SER 124 Ca -0.13 -0.34 0.01 0.00 0.70 0.00 0.00 55.95 56.19 1adl s SER 124 Cb -0.16 -0.67 0.02 0.00 -1.71 0.00 0.00 66.02 63.49 1adl s SER 124 CO 0.07 0.30 -0.13 -0.89 1.20 0.00 0.00 173.24 173.79 1adl s THR 125 N -0.81 1.35 -0.12 6.45 2.01 -0.63 -1.28 115.64 122.62 1adl s THR 125 Ca 0.13 -0.53 0.03 0.00 0.31 0.00 0.00 61.69 61.63 1adl s THR 125 Cb -0.10 -1.28 0.00 0.00 0.01 0.00 0.00 72.50 71.13 1adl s THR 125 CO 0.03 0.42 -0.23 -0.13 -0.69 0.00 0.00 174.62 174.01 1adl s ARG 126 N 1.28 3.04 -0.12 4.92 1.81 0.03 -0.85 118.95 129.05 1adl s ARG 126 Ca -0.01 -0.87 -0.03 0.00 -1.72 0.00 0.00 55.73 53.10 1adl s ARG 126 Cb -0.14 -2.36 -0.03 0.00 -0.45 0.00 0.00 34.95 31.97 1adl s ARG 126 CO -0.05 0.09 -0.02 0.08 -0.68 0.00 0.00 175.30 174.72 1adl s VAL 127 N 0.56 4.12 0.09 3.52 1.01 -0.36 -0.73 120.40 128.61 1adl s VAL 127 Ca -0.13 -0.30 0.09 0.00 0.00 0.00 0.00 61.98 61.64 1adl s VAL 127 Cb -0.17 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 1adl s VAL 127 CO 0.04 0.54 -0.24 -0.31 0.00 0.00 0.00 175.10 175.13 1adl s TYR 128 N -0.23 2.10 0.21 5.22 1.51 0.48 -0.57 117.35 126.08 1adl s TYR 128 Ca 0.05 -0.40 0.08 0.00 -1.01 0.00 0.00 57.07 55.80 1adl s TYR 128 Cb -0.13 -1.19 -0.05 0.00 -0.11 0.00 0.00 41.96 40.49 1adl s TYR 128 CO 0.02 0.22 -0.16 -1.83 -1.11 0.00 0.00 175.55 172.70 1adl s GLU 129 N -1.70 1.37 0.36 -0.62 -1.05 -0.55 -1.15 118.70 115.35 1adl s GLU 129 Ca 0.11 -1.60 -0.28 0.00 -0.15 0.00 0.00 54.97 53.05 1adl s GLU 129 Cb -0.10 -1.23 -0.10 0.00 -0.44 0.00 0.00 34.13 32.25 1adl s GLU 129 CO 0.04 0.21 1.40 1.03 0.95 0.00 0.00 175.26 178.89 1adl s ARG 130 N -3.54 4.19 0.00 -4.83 0.52 -1.26 -0.36 118.95 113.66 1adl s ARG 130 Ca 0.23 2.40 0.31 0.00 -0.52 0.00 0.00 55.73 58.15 1adl s ARG 130 Cb -0.02 -2.99 1.80 0.00 0.52 0.00 0.00 34.95 34.27 1adl s ARG 130 CO 0.08 -0.40 2.17 0.00 0.02 0.00 0.00 175.30 177.17