#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aps n THR 2 N 0.00 0.00 0.00 2.46 -2.24 -1.23 -4.43 114.28 108.84 1aps n THR 2 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1aps n THR 2 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1aps n THR 2 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1aps n ALA 3 N 0.00 0.00 -1.68 6.98 0.00 -1.26 -4.94 120.51 119.61 1aps n ALA 3 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1aps n ALA 3 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 1aps n ALA 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1aps n ARG 4 N 0.00 1.66 -1.50 0.00 5.12 -1.26 -4.82 116.66 115.85 1aps n ARG 4 Ca 0.00 0.60 -0.40 0.00 -1.93 0.00 0.00 57.85 56.12 1aps n ARG 4 Cb 0.00 -2.31 -0.05 0.00 -1.16 0.00 0.00 32.46 28.94 1aps n ARG 4 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1aps n PRO 5 N -0.20 1.76 -2.06 5.56 -0.04 -1.26 -3.28 135.00 135.47 1aps n PRO 5 Ca 0.08 -2.15 -0.02 0.00 -0.04 0.00 0.00 63.50 61.38 1aps n PRO 5 Cb 0.41 -3.18 0.07 0.00 -0.04 0.00 0.00 33.50 30.76 1aps n PRO 5 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1aps n LEU 6 N 9.00 -0.93 -4.23 1.53 7.94 -1.26 -4.67 117.00 124.38 1aps n LEU 6 Ca 0.49 -2.31 -0.41 0.00 -1.11 0.00 0.00 56.01 52.67 1aps n LEU 6 Cb 0.42 0.33 -0.03 0.00 0.53 0.00 0.00 43.42 44.68 1aps n LEU 6 CO 0.93 1.43 0.63 2.29 -1.11 0.00 0.00 177.39 181.56 1aps n LYS 7 N -0.88 3.22 -1.70 1.96 2.85 -1.21 -1.62 118.16 120.79 1aps n LYS 7 Ca -0.13 -4.47 -0.43 0.00 -1.05 0.00 0.00 58.31 52.22 1aps n LYS 7 Cb 0.72 -2.49 -0.03 0.00 -0.65 0.00 0.00 35.03 32.58 1aps n LYS 7 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1aps n SER 8 N 2.45 3.77 -4.47 -5.58 2.88 0.54 -3.82 113.62 109.38 1aps n SER 8 Ca 0.23 1.05 -0.32 0.00 -1.33 0.00 0.00 58.87 58.50 1aps n SER 8 Cb 0.38 -1.53 -0.13 0.00 -0.75 0.00 0.00 64.21 62.19 1aps n SER 8 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1aps s VAL 9 N 1.53 2.95 -0.23 2.46 -7.23 0.50 -0.66 120.40 119.72 1aps s VAL 9 Ca 0.78 -0.90 -0.05 0.00 -1.81 0.00 0.00 61.98 59.99 1aps s VAL 9 Cb -0.55 -2.19 -0.02 0.00 0.56 0.00 0.00 36.38 34.18 1aps s VAL 9 CO 0.35 0.49 0.01 -0.62 -0.31 0.00 0.00 175.10 175.03 1aps s ASP 10 N -1.01 4.71 -0.22 4.85 -1.08 0.10 -0.18 116.67 123.84 1aps s ASP 10 Ca 0.13 -0.29 -0.08 0.00 -0.52 0.00 0.00 52.55 51.79 1aps s ASP 10 Cb -0.11 -1.83 -0.04 0.00 -1.46 0.00 0.00 42.92 39.49 1aps s ASP 10 CO 0.03 -0.02 0.08 -0.72 0.52 0.00 0.00 175.17 175.06 1aps s TYR 11 N 1.49 3.17 -0.36 -5.34 -0.85 0.10 -1.33 117.35 114.24 1aps s TYR 11 Ca 0.06 -0.13 -0.13 0.00 -0.52 0.00 0.00 57.07 56.34 1aps s TYR 11 Cb -0.15 -2.18 -0.00 0.00 0.38 0.00 0.00 41.96 40.01 1aps s TYR 11 CO 0.00 -0.11 0.24 -2.00 -1.52 0.00 0.00 175.55 172.17 1aps s GLU 12 N 1.08 3.29 -0.08 -3.49 2.56 -0.66 -1.24 118.70 120.16 1aps s GLU 12 Ca 0.05 -0.79 -0.30 0.00 0.00 0.00 0.00 54.97 53.93 1aps s GLU 12 Cb -0.14 -3.81 -0.04 0.00 2.00 0.00 0.00 34.13 32.13 1aps s GLU 12 CO 0.03 -0.54 1.42 0.08 -0.56 0.00 0.00 175.26 175.70 1aps s VAL 13 N 1.68 3.90 0.06 3.70 1.01 -0.52 -0.60 120.40 129.64 1aps s VAL 13 Ca 0.05 1.15 0.04 0.00 0.00 0.00 0.00 61.98 63.23 1aps s VAL 13 Cb -0.18 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 1aps s VAL 13 CO 0.10 -0.07 -0.12 -0.36 0.00 0.00 0.00 175.10 174.65 1aps s PHE 14 N 3.31 1.04 0.00 5.22 0.08 -0.95 -4.53 117.98 122.15 1aps s PHE 14 Ca 0.63 -0.49 0.00 0.00 0.12 0.00 0.00 56.93 57.20 1aps s PHE 14 Cb -0.28 -0.59 0.00 0.00 -0.57 0.00 0.00 43.02 41.58 1aps s PHE 14 CO 0.23 0.01 0.00 0.41 -0.10 0.00 0.00 175.22 175.77 1aps n GLY 15 N 1.28 1.43 0.00 4.36 0.00 -0.54 -0.23 105.19 111.50 1aps n GLY 15 Ca -0.21 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1aps n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aps n ARG 16 N 0.00 0.00 -2.53 1.61 5.12 -0.11 -4.91 116.66 115.85 1aps n ARG 16 Ca 0.00 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.49 1aps n ARG 16 Cb 0.00 -0.04 -0.02 0.00 -1.16 0.00 0.00 32.46 31.24 1aps n ARG 16 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1aps s VAL 17 N -0.02 4.46 0.28 1.55 1.01 -0.05 -4.84 120.40 122.80 1aps s VAL 17 Ca 0.00 1.76 -0.29 0.00 0.00 0.00 0.00 61.98 63.45 1aps s VAL 17 Cb 0.00 -4.14 -0.10 0.00 0.00 0.00 0.00 36.38 32.14 1aps s VAL 17 CO 0.00 -0.15 1.35 -1.10 0.00 0.00 0.00 175.10 175.21 1aps s GLN 18 N 3.29 4.33 0.00 2.72 -1.52 -1.26 -2.57 119.66 124.65 1aps s GLN 18 Ca 0.50 2.22 0.00 0.00 -1.95 0.00 0.00 55.36 56.13 1aps s GLN 18 Cb -0.19 -3.10 0.00 0.00 -0.22 0.00 0.00 33.01 29.50 1aps s GLN 18 CO 0.11 -0.28 0.00 0.41 -0.25 0.00 0.00 175.29 175.28 1aps n GLY 19 N 1.54 -0.31 0.00 3.09 0.00 -1.26 -4.97 105.19 103.28 1aps n GLY 19 Ca 0.03 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1aps n GLY 19 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1aps n VAL 20 N 0.43 0.00 0.00 1.61 0.31 -0.60 -4.79 118.33 115.28 1aps n VAL 20 Ca 0.00 0.56 0.00 0.00 -0.01 0.00 0.00 64.34 64.89 1aps n VAL 20 Cb 0.00 -0.76 0.00 0.00 -0.91 0.00 0.00 33.84 32.17 1aps n VAL 20 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1aps n PHE 22 N -0.30 0.00 0.00 0.00 -1.74 -1.14 -4.51 117.46 109.77 1aps n PHE 22 Ca 0.00 -0.01 0.00 0.00 -0.56 0.00 0.00 57.45 56.88 1aps n PHE 22 Cb 0.00 -0.03 0.00 0.00 1.52 0.00 0.00 39.48 40.97 1aps n PHE 22 CO 0.00 0.00 0.00 -2.13 -0.56 0.00 0.00 176.76 174.07 1aps n ARG 23 N 0.43 0.00 -0.22 3.97 0.00 -1.26 -1.32 116.66 118.25 1aps n ARG 23 Ca 0.00 0.33 0.02 0.00 -0.00 0.00 0.00 57.85 58.21 1aps n ARG 23 Cb 0.05 -1.26 0.13 0.00 0.00 0.00 0.00 32.46 31.39 1aps n ARG 23 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.63 178.15 1aps h MET 24 N 0.00 0.22 -0.45 -0.14 2.86 -2.00 -2.17 114.93 113.24 1aps h MET 24 Ca 0.00 -0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.69 1aps h MET 24 Cb 0.00 -0.05 -0.09 0.00 0.06 0.00 0.00 31.60 31.52 1aps h MET 24 CO 0.00 0.14 -0.50 -0.92 1.06 0.00 0.00 176.91 176.69 1aps h TYR 25 N 0.22 -1.51 -0.05 -0.22 5.03 -1.87 -0.04 116.97 118.53 1aps h TYR 25 Ca 0.35 0.08 0.01 0.00 2.58 0.00 0.00 58.73 61.75 1aps h TYR 25 Cb 0.57 0.72 -0.01 0.00 1.55 0.00 0.00 36.73 39.56 1aps h TYR 25 CO -0.29 -0.46 -0.01 0.00 -1.32 0.00 0.00 178.16 176.08 1aps h ALA 26 N 0.22 0.03 0.43 1.82 0.00 -0.82 -1.94 119.26 119.01 1aps h ALA 26 Ca 0.11 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1aps h ALA 26 Cb 0.59 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1aps h ALA 26 CO -0.62 -0.49 -0.44 0.93 0.00 0.00 0.00 179.25 178.63 1aps h GLU 27 N 0.00 -0.86 0.10 0.00 5.08 -0.77 -0.19 114.58 117.95 1aps h GLU 27 Ca 0.02 0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1aps h GLU 27 Cb 0.03 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1aps h GLU 27 CO -0.05 -0.57 -0.17 -0.44 -1.00 0.00 0.00 179.01 176.78 1aps h ASP 28 N -0.89 -0.47 0.60 1.42 3.32 -0.96 -2.12 116.42 117.33 1aps h ASP 28 Ca -0.04 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 1aps h ASP 28 Cb 0.79 0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.51 1aps h ASP 28 CO -0.07 -0.24 -0.39 -0.33 -1.72 0.00 0.00 179.24 176.48 1aps h GLU 29 N -0.33 -0.91 -0.57 3.56 5.08 -1.16 -2.63 114.58 117.62 1aps h GLU 29 Ca 0.02 0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.52 1aps h GLU 29 Cb 0.35 0.21 -0.06 0.00 0.50 0.00 0.00 28.75 29.74 1aps h GLU 29 CO -0.09 -0.61 0.24 0.00 -1.00 0.00 0.00 179.01 177.55 1aps h ALA 30 N -0.65 0.73 0.11 3.43 0.00 -0.88 -0.59 119.26 121.41 1aps h ALA 30 Ca -0.07 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1aps h ALA 30 Cb 0.77 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1aps h ALA 30 CO 0.06 -0.15 -0.34 0.00 0.00 0.00 0.00 179.25 178.82 1aps h ARG 31 N 0.44 -0.54 -0.57 0.00 3.08 -1.30 0.29 114.38 115.79 1aps h ARG 31 Ca 0.27 0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.40 1aps h ARG 31 Cb 0.28 0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 1aps h ARG 31 CO -0.25 -0.36 0.38 0.87 -1.07 0.00 0.00 179.97 179.54 1aps h LYS 32 N -0.56 0.63 -0.77 0.04 1.57 -0.86 -2.55 116.57 114.07 1aps h LYS 32 Ca 0.03 -0.04 -0.48 0.00 -1.87 0.00 0.00 60.65 58.30 1aps h LYS 32 Cb 0.59 -0.14 -0.27 0.00 0.08 0.00 0.00 32.23 32.49 1aps h LYS 32 CO -0.20 0.41 0.24 0.44 -0.57 0.00 0.00 179.45 179.77 1aps n ILE 33 N -4.47 3.03 -2.80 1.86 -5.35 -0.34 -4.96 119.36 106.33 1aps n ILE 33 Ca 0.07 -2.91 -0.21 0.00 -0.27 0.00 0.00 62.75 59.42 1aps n ILE 33 Cb 0.15 -0.77 0.02 0.00 -1.74 0.00 0.00 39.64 37.31 1aps n ILE 33 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1aps n GLY 34 N -0.99 -0.49 3.01 3.28 0.00 -0.81 -4.93 105.19 104.26 1aps n GLY 34 Ca 0.50 0.07 -0.30 0.00 0.00 0.00 0.00 46.02 46.29 1aps n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aps s VAL 35 N -3.12 1.58 0.26 1.61 1.01 0.03 -4.94 120.40 116.82 1aps s VAL 35 Ca 0.20 -0.71 0.06 0.00 0.00 0.00 0.00 61.98 61.53 1aps s VAL 35 Cb -0.09 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.71 1aps s VAL 35 CO 0.25 0.39 -0.05 0.68 0.00 0.00 0.00 175.10 176.37 1aps s VAL 36 N 1.47 1.46 0.00 2.92 -7.23 -1.26 -3.03 120.40 114.73 1aps s VAL 36 Ca 0.04 -2.10 0.00 0.00 -1.81 0.00 0.00 61.98 58.10 1aps s VAL 36 Cb -0.14 -2.37 0.00 0.00 0.56 0.00 0.00 36.38 34.44 1aps s VAL 36 CO -0.10 -0.35 0.00 0.61 -0.31 0.00 0.00 175.10 174.95 1aps n GLY 37 N -0.51 0.21 3.57 2.32 0.00 0.13 0.13 105.19 111.05 1aps n GLY 37 Ca -0.06 -0.38 -0.08 0.00 0.00 0.00 0.00 46.02 45.50 1aps n GLY 37 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1aps s TRP 38 N 0.00 -0.34 -0.05 1.61 1.48 -0.64 -1.81 118.94 119.19 1aps s TRP 38 Ca 0.00 0.11 0.05 0.00 -1.06 0.00 0.00 56.10 55.21 1aps s TRP 38 Cb 0.00 0.59 -0.01 0.00 -1.16 0.00 0.00 33.47 32.89 1aps s TRP 38 CO 0.00 -0.78 -0.22 0.08 -4.06 0.00 0.00 176.95 171.97 1aps s VAL 39 N -3.44 1.81 -0.01 -0.66 1.01 -0.35 -0.19 120.40 118.57 1aps s VAL 39 Ca 0.06 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.11 1aps s VAL 39 Cb -0.02 -1.53 0.01 0.00 0.00 0.00 0.00 36.38 34.84 1aps s VAL 39 CO -0.06 0.51 -0.01 -0.75 0.00 0.00 0.00 175.10 174.79 1aps s LYS 40 N -0.11 0.17 0.11 2.72 2.20 -0.76 -2.18 119.74 121.89 1aps s LYS 40 Ca -0.03 -0.02 -0.20 0.00 -0.36 0.00 0.00 55.97 55.36 1aps s LYS 40 Cb -0.13 -0.23 -0.07 0.00 -1.51 0.00 0.00 37.83 35.90 1aps s LYS 40 CO 0.03 -0.01 0.62 0.54 -0.36 0.00 0.00 175.35 176.17 1aps s ASN 41 N 0.28 7.11 0.00 1.43 4.22 -1.26 -0.89 114.94 125.82 1aps s ASN 41 Ca -0.02 1.34 0.00 0.00 -2.14 0.00 0.00 52.86 52.03 1aps s ASN 41 Cb -0.05 -2.39 0.00 0.00 1.28 0.00 0.00 41.25 40.10 1aps s ASN 41 CO -0.01 0.23 1.53 0.35 -2.04 0.00 0.00 177.10 177.16 1aps n THR 42 N 1.53 1.53 0.00 0.54 -2.24 -1.15 -4.72 114.28 109.77 1aps n THR 42 Ca -0.08 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 1aps n THR 42 Cb 0.50 -1.30 0.00 0.00 -2.10 0.00 0.00 70.33 67.43 1aps n THR 42 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1aps n SER 43 N 1.28 0.00 -3.91 3.42 3.41 -1.26 -4.92 113.62 111.64 1aps n SER 43 Ca 0.00 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.42 1aps n SER 43 Cb 0.44 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.24 1aps n SER 43 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1aps s LYS 44 N 0.00 0.70 0.00 4.33 2.20 -1.26 -4.97 119.74 120.73 1aps s LYS 44 Ca 0.00 -0.12 0.00 0.00 -0.36 0.00 0.00 55.97 55.49 1aps s LYS 44 Cb 0.00 -0.71 0.00 0.00 -1.51 0.00 0.00 37.83 35.61 1aps s LYS 44 CO 0.00 -0.02 0.00 0.41 -0.36 0.00 0.00 175.35 175.38 1aps n GLY 45 N 3.73 1.89 3.91 5.54 0.00 -1.26 -4.89 105.19 114.12 1aps n GLY 45 Ca -0.22 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 1aps n GLY 45 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1aps s THR 46 N 0.00 4.98 -0.07 2.61 -4.23 -1.26 -1.56 115.64 116.11 1aps s THR 46 Ca 0.00 0.04 0.03 0.00 -1.18 0.00 0.00 61.69 60.58 1aps s THR 46 Cb 0.00 -3.81 0.00 0.00 1.34 0.00 0.00 72.50 70.04 1aps s THR 46 CO 0.00 -0.57 -0.17 0.68 -0.54 0.00 0.00 174.62 174.01 1aps s VAL 47 N -2.38 1.52 -0.41 2.29 -7.23 -1.26 -2.91 120.40 110.00 1aps s VAL 47 Ca 0.45 -0.72 -0.08 0.00 -1.81 0.00 0.00 61.98 59.82 1aps s VAL 47 Cb -0.10 -1.33 0.08 0.00 0.56 0.00 0.00 36.38 35.59 1aps s VAL 47 CO 0.36 0.44 0.24 0.42 -0.31 0.00 0.00 175.10 176.25 1aps s THR 48 N 0.37 4.06 0.48 5.32 -4.23 -0.07 -1.43 115.64 120.14 1aps s THR 48 Ca -0.13 -1.48 0.03 0.00 -1.18 0.00 0.00 61.69 58.93 1aps s THR 48 Cb -0.15 -3.52 -0.03 0.00 1.34 0.00 0.00 72.50 70.14 1aps s THR 48 CO 0.05 -0.52 0.01 -0.83 -0.54 0.00 0.00 174.62 172.79 1aps s GLY 49 N 2.07 2.89 -0.05 3.99 0.00 -0.37 -1.82 107.32 114.03 1aps s GLY 49 Ca 0.03 -0.87 0.03 0.00 0.00 0.00 0.00 44.72 43.91 1aps s GLY 49 CO 0.01 -2.17 -0.11 1.62 0.00 0.00 0.00 173.10 172.45 1aps s GLN 50 N -3.83 1.39 -0.21 2.90 0.74 0.73 0.02 119.66 121.40 1aps s GLN 50 Ca 0.13 -0.38 -0.01 0.00 0.05 0.00 0.00 55.36 55.15 1aps s GLN 50 Cb 0.04 -1.21 0.01 0.00 1.10 0.00 0.00 33.01 32.94 1aps s GLN 50 CO 0.07 0.08 -0.12 0.08 -0.55 0.00 0.00 175.29 174.86 1aps s VAL 51 N 0.42 2.70 0.86 1.34 1.01 0.74 -1.62 120.40 125.85 1aps s VAL 51 Ca -0.09 -0.78 -0.14 0.00 0.00 0.00 0.00 61.98 60.97 1aps s VAL 51 Cb -0.13 -2.22 0.03 0.00 0.00 0.00 0.00 36.38 34.06 1aps s VAL 51 CO 0.02 0.44 0.61 0.00 0.00 0.00 0.00 175.10 176.17 1aps n GLN 52 N 4.69 -0.04 0.00 2.72 -0.00 0.12 -0.37 117.38 124.50 1aps n GLN 52 Ca -0.19 0.04 0.00 0.00 -0.00 0.00 0.00 57.00 56.85 1aps n GLN 52 Cb 0.50 -1.97 0.00 0.00 -0.00 0.00 0.00 30.24 28.76 1aps n GLN 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1aps n GLY 53 N 1.32 0.00 3.57 2.61 0.00 -1.26 -4.70 105.19 106.73 1aps n GLY 53 Ca 0.09 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.96 1aps n GLY 53 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1aps s PRO 54 N 0.00 1.56 -0.33 1.61 0.02 -1.25 -4.56 135.00 132.06 1aps s PRO 54 Ca 0.00 0.11 0.03 0.00 0.02 0.00 0.00 61.00 61.16 1aps s PRO 54 Cb 0.00 -4.88 0.09 0.00 0.02 0.00 0.00 34.50 29.74 1aps s PRO 54 CO 0.00 -4.69 0.04 -1.83 -0.33 0.00 0.00 177.00 170.19 1aps s GLU 55 N 8.56 1.48 1.38 5.54 4.04 -1.26 -3.94 118.70 134.50 1aps s GLU 55 Ca 0.87 -1.72 0.00 0.00 0.04 0.00 0.00 54.97 54.16 1aps s GLU 55 Cb -0.10 -3.03 0.00 0.00 0.02 0.00 0.00 34.13 31.02 1aps s GLU 55 CO 0.10 -0.90 0.00 -0.85 -1.84 0.00 0.00 175.26 171.78 1aps n GLU 56 N 4.34 0.00 -0.16 -4.83 -0.00 -1.26 -2.83 120.64 115.90 1aps n GLU 56 Ca 0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 57.16 57.14 1aps n GLU 56 Cb 0.42 0.00 0.03 0.00 -0.00 0.00 0.00 31.44 31.89 1aps n GLU 56 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 1aps h LYS 57 N 0.00 -0.05 -0.80 3.44 3.64 -1.97 -1.77 116.57 119.06 1aps h LYS 57 Ca 0.00 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.48 1aps h LYS 57 Cb 0.00 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 31.78 1aps h LYS 57 CO 0.00 -0.03 0.52 0.28 -2.27 0.00 0.00 179.45 177.95 1aps h VAL 58 N -0.05 0.94 -0.70 2.00 2.07 -1.83 -1.86 116.25 116.82 1aps h VAL 58 Ca 0.24 -0.25 0.09 0.00 0.82 0.00 0.00 66.70 67.60 1aps h VAL 58 Cb 0.42 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 1aps h VAL 58 CO -0.54 0.13 0.46 0.78 0.02 0.00 0.00 177.57 178.42 1aps h ASN 59 N 0.72 0.54 -0.20 0.57 4.21 -1.54 -1.53 115.58 118.35 1aps h ASN 59 Ca 0.37 0.01 -0.02 0.00 1.21 0.00 0.00 56.30 57.87 1aps h ASN 59 Cb 0.47 -0.10 -0.01 0.00 -1.12 0.00 0.00 38.32 37.55 1aps h ASN 59 CO -0.14 0.33 0.08 0.77 -1.29 0.00 0.00 177.43 177.19 1aps h SER 60 N 0.61 0.32 0.41 5.81 4.64 -1.43 -1.61 113.55 122.30 1aps h SER 60 Ca 0.32 -0.03 -0.07 0.00 -0.47 0.00 0.00 61.79 61.54 1aps h SER 60 Cb 0.43 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 1aps h SER 60 CO -0.11 0.31 -0.32 0.24 -0.87 0.00 0.00 176.83 176.09 1aps h MET 61 N 0.36 0.00 -0.71 4.77 2.86 -1.42 -2.45 114.93 118.33 1aps h MET 61 Ca 0.09 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.71 1aps h MET 61 Cb 0.11 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 1aps h MET 61 CO -0.01 0.32 0.36 0.87 1.06 0.00 0.00 176.91 179.52 1aps h LYS 62 N 0.00 1.00 -0.32 1.72 1.57 -1.32 -1.10 116.57 118.12 1aps h LYS 62 Ca -0.00 -0.12 0.06 0.00 -1.87 0.00 0.00 60.65 58.71 1aps h LYS 62 Cb 0.61 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 32.67 1aps h LYS 62 CO 0.04 0.75 -0.01 0.77 -0.57 0.00 0.00 179.45 180.44 1aps h SER 63 N 1.00 -0.14 0.28 0.86 0.02 -1.47 -0.21 113.55 113.88 1aps h SER 63 Ca 0.25 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 1aps h SER 63 Cb 0.07 0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.70 1aps h SER 63 CO -0.04 -0.04 -0.49 -0.25 -1.14 0.00 0.00 176.83 174.88 1aps h TRP 64 N 0.08 -1.38 0.00 3.45 7.01 -1.48 -0.94 115.95 122.68 1aps h TRP 64 Ca 0.15 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.18 1aps h TRP 64 Cb 0.21 0.57 0.00 0.00 -2.10 0.00 0.00 29.16 27.84 1aps h TRP 64 CO -0.24 -0.61 0.00 -0.07 -2.79 0.00 0.00 178.44 174.74 1aps h LEU 65 N -0.83 0.00 0.00 0.65 3.38 -0.94 -2.16 115.31 115.41 1aps h LEU 65 Ca -0.02 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.76 1aps h LEU 65 Cb 0.79 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 1aps h LEU 65 CO -0.18 0.00 -1.27 -1.54 0.09 0.00 0.00 178.44 175.54 1aps n SER 66 N -2.67 1.87 -0.05 -0.43 3.41 -0.11 -4.71 113.62 110.93 1aps n SER 66 Ca -0.02 0.46 -0.15 0.00 -0.26 0.00 0.00 58.87 58.89 1aps n SER 66 Cb 0.05 -0.89 -0.07 0.00 -0.26 0.00 0.00 64.21 63.05 1aps n SER 66 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1aps h LYS 67 N -1.00 0.61 -4.82 4.33 1.57 -0.93 -2.32 116.57 114.01 1aps h LYS 67 Ca -0.28 -0.42 -0.65 0.00 -1.87 0.00 0.00 60.65 57.42 1aps h LYS 67 Cb 1.11 0.06 -0.37 0.00 0.08 0.00 0.00 32.23 33.12 1aps h LYS 67 CO -0.17 1.04 -0.82 0.14 -0.57 0.00 0.00 179.45 179.07 1aps s VAL 68 N -3.95 1.98 -1.10 0.50 -7.23 -0.84 -4.40 120.40 105.36 1aps s VAL 68 Ca -0.12 -1.27 -0.10 0.00 -1.81 0.00 0.00 61.98 58.68 1aps s VAL 68 Cb 0.07 -2.00 0.27 0.00 0.56 0.00 0.00 36.38 35.28 1aps s VAL 68 CO 0.83 0.17 1.10 -0.83 -0.31 0.00 0.00 175.10 176.06 1aps s GLY 69 N 1.24 3.18 0.13 2.32 0.00 -1.02 -4.75 107.32 108.42 1aps s GLY 69 Ca -0.03 -3.80 -0.16 0.00 0.00 0.00 0.00 44.72 40.73 1aps s GLY 69 CO -0.08 1.34 1.65 1.76 0.00 0.00 0.00 173.10 177.77 1aps h SER 70 N 6.76 0.54 -2.99 1.64 0.02 -1.93 -2.82 113.55 114.77 1aps h SER 70 Ca 0.18 -0.20 -0.67 0.00 -0.84 0.00 0.00 61.79 60.26 1aps h SER 70 Cb 0.89 -0.14 -0.17 0.00 0.14 0.00 0.00 62.40 63.12 1aps h SER 70 CO 1.00 0.59 0.26 -2.84 -1.14 0.00 0.00 176.83 174.71 1aps s PRO 71 N -5.43 3.12 0.18 3.45 0.02 -1.26 -4.88 135.00 130.20 1aps s PRO 71 Ca -0.13 -0.92 0.00 0.00 0.02 0.00 0.00 61.00 59.97 1aps s PRO 71 Cb 0.10 -4.17 0.00 0.00 0.02 0.00 0.00 34.50 30.44 1aps s PRO 71 CO 0.75 -1.50 0.00 0.43 -0.33 0.00 0.00 177.00 176.35 1aps n SER 72 N 6.78 -6.56 -2.55 2.53 7.64 -1.14 -2.87 113.62 117.46 1aps n SER 72 Ca -0.06 0.87 -0.24 0.00 1.01 0.00 0.00 58.87 60.45 1aps n SER 72 Cb 0.45 -3.29 -0.10 0.00 -1.01 0.00 0.00 64.21 60.26 1aps n SER 72 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1aps n SER 73 N 0.78 6.58 0.01 6.43 3.41 -1.08 -3.97 113.62 125.80 1aps n SER 73 Ca 0.00 -2.71 0.12 0.00 -0.26 0.00 0.00 58.87 56.02 1aps n SER 73 Cb 0.00 -1.41 0.31 0.00 -0.26 0.00 0.00 64.21 62.85 1aps n SER 73 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1aps n ARG 74 N 2.35 0.06 -3.54 4.33 3.00 -1.06 -0.87 116.66 120.93 1aps n ARG 74 Ca 0.54 0.02 -0.41 0.00 -0.00 0.00 0.00 57.85 58.00 1aps n ARG 74 Cb 0.62 -1.54 -0.07 0.00 0.00 0.00 0.00 32.46 31.47 1aps n ARG 74 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1aps s ILE 75 N -3.03 4.41 0.00 5.15 1.09 -1.25 -1.47 121.20 126.10 1aps s ILE 75 Ca 0.11 -2.16 0.00 0.00 -1.10 0.00 0.00 60.65 57.50 1aps s ILE 75 Cb 0.17 -3.86 0.00 0.00 -1.06 0.00 0.00 42.46 37.71 1aps s ILE 75 CO 0.67 -0.85 0.00 0.47 -0.10 0.00 0.00 174.94 175.13 1aps n ASP 76 N 4.44 0.13 -3.86 3.58 9.92 -0.65 -2.42 116.55 127.69 1aps n ASP 76 Ca -0.01 0.00 -0.30 0.00 -0.53 0.00 0.00 54.79 53.96 1aps n ASP 76 Cb 0.41 0.00 -0.13 0.00 -0.64 0.00 0.00 41.12 40.76 1aps n ASP 76 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1aps s ARG 77 N -1.91 1.82 -0.22 -1.24 3.52 0.69 -4.22 118.95 117.39 1aps s ARG 77 Ca 0.00 -2.53 -0.08 0.00 -0.13 0.00 0.00 55.73 53.00 1aps s ARG 77 Cb 0.00 -3.01 -0.04 0.00 -1.56 0.00 0.00 34.95 30.35 1aps s ARG 77 CO 0.00 -1.15 0.07 0.99 -0.81 0.00 0.00 175.30 174.40 1aps s THR 78 N -0.25 4.59 -1.03 4.11 2.01 -1.26 -2.23 115.64 121.58 1aps s THR 78 Ca 0.19 -0.09 -0.18 0.00 0.31 0.00 0.00 61.69 61.92 1aps s THR 78 Cb -0.22 -3.11 0.13 0.00 0.01 0.00 0.00 72.50 69.30 1aps s THR 78 CO -0.03 0.39 1.28 0.20 -0.69 0.00 0.00 174.62 175.78 1aps s ASN 79 N 1.03 6.74 -0.99 3.53 0.02 0.23 -4.86 114.94 120.64 1aps s ASN 79 Ca 0.04 -2.24 -0.23 0.00 -1.02 0.00 0.00 52.86 49.41 1aps s ASN 79 Cb -0.14 -2.43 -0.00 0.00 0.02 0.00 0.00 41.25 38.69 1aps s ASN 79 CO 0.03 -1.04 1.74 -0.36 0.02 0.00 0.00 177.10 177.48 1aps s PHE 80 N 2.78 2.16 0.00 2.20 0.08 -1.26 -1.65 117.98 122.29 1aps s PHE 80 Ca 0.38 -0.10 0.00 0.00 0.12 0.00 0.00 56.93 57.33 1aps s PHE 80 Cb -0.03 -4.34 0.00 0.00 -0.57 0.00 0.00 43.02 38.07 1aps s PHE 80 CO -0.06 -1.79 0.00 0.45 -0.10 0.00 0.00 175.22 173.72 1aps n SER 81 N 11.65 1.94 -3.42 1.36 2.88 -0.44 -4.93 113.62 122.67 1aps n SER 81 Ca 0.38 -0.57 -0.20 0.00 -1.33 0.00 0.00 58.87 57.15 1aps n SER 81 Cb 0.48 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.96 1aps n SER 81 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1aps n ASN 82 N -0.60 -6.14 -4.33 -3.46 5.15 -1.26 0.01 115.26 104.63 1aps n ASN 82 Ca 0.00 -0.34 -0.44 0.00 -0.60 0.00 0.00 54.58 53.20 1aps n ASN 82 Cb 0.00 -3.04 -0.07 0.00 -0.53 0.00 0.00 39.78 36.15 1aps n ASN 82 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1aps s GLU 83 N -3.53 2.90 -0.25 1.20 2.02 -1.24 -2.92 118.70 116.87 1aps s GLU 83 Ca 0.14 -1.54 0.00 0.00 0.02 0.00 0.00 54.97 53.59 1aps s GLU 83 Cb -0.02 -4.14 0.04 0.00 0.10 0.00 0.00 34.13 30.11 1aps s GLU 83 CO 0.84 -1.15 -0.09 -1.59 0.02 0.00 0.00 175.26 173.29 1aps s LYS 84 N 1.58 2.57 -0.50 1.61 -2.85 0.17 -3.50 119.74 118.81 1aps s LYS 84 Ca 0.04 -1.14 -0.27 0.00 -1.00 0.00 0.00 55.97 53.60 1aps s LYS 84 Cb -0.27 -2.93 -0.04 0.00 -2.06 0.00 0.00 37.83 32.54 1aps s LYS 84 CO 0.04 -0.47 2.07 0.95 0.10 0.00 0.00 175.35 178.04 1aps s THR 85 N 1.23 3.23 -1.28 3.79 -4.23 -1.26 -0.34 115.64 116.77 1aps s THR 85 Ca -0.03 0.16 -0.15 0.00 -1.18 0.00 0.00 61.69 60.49 1aps s THR 85 Cb -0.18 -3.51 0.12 0.00 1.34 0.00 0.00 72.50 70.27 1aps s THR 85 CO -0.05 -0.47 1.70 2.30 -0.54 0.00 0.00 174.62 177.56 1aps n ILE 86 N 7.55 4.07 -0.29 2.99 -5.35 -0.64 -4.81 119.36 122.88 1aps n ILE 86 Ca 0.27 -4.27 0.23 0.00 -0.27 0.00 0.00 62.75 58.71 1aps n ILE 86 Cb 0.52 -2.43 0.54 0.00 -1.74 0.00 0.00 39.64 36.53 1aps n ILE 86 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1aps h SER 87 N 6.96 0.37 -3.71 7.28 0.02 -1.91 -3.19 113.55 119.37 1aps h SER 87 Ca 0.40 0.06 -0.69 0.00 -0.84 0.00 0.00 61.79 60.73 1aps h SER 87 Cb 0.81 -0.01 -0.33 0.00 0.14 0.00 0.00 62.40 63.02 1aps h SER 87 CO 1.45 0.10 -0.66 -0.75 -1.14 0.00 0.00 176.83 175.83 1aps s LYS 88 N -5.39 2.36 -0.98 3.45 2.20 -1.26 -5.03 119.74 115.10 1aps s LYS 88 Ca -0.08 -1.36 -0.24 0.00 -0.36 0.00 0.00 55.97 53.93 1aps s LYS 88 Cb 0.24 -3.29 -0.16 0.00 -1.51 0.00 0.00 37.83 33.12 1aps s LYS 88 CO 0.79 -0.71 1.93 -0.11 -0.36 0.00 0.00 175.35 176.90 1aps n LEU 89 N 4.64 2.81 -3.52 5.43 7.94 -1.21 -4.83 117.00 128.25 1aps n LEU 89 Ca -0.11 -2.85 -0.40 0.00 -1.11 0.00 0.00 56.01 51.54 1aps n LEU 89 Cb 0.43 -1.49 0.01 0.00 0.53 0.00 0.00 43.42 42.90 1aps n LEU 89 CO 0.28 -1.85 1.79 -1.84 -1.11 0.00 0.00 177.39 174.66 1aps n GLU 90 N 7.95 4.96 0.00 1.96 0.28 -1.26 -4.74 120.64 129.78 1aps n GLU 90 Ca 0.45 -4.13 0.00 0.00 -0.16 0.00 0.00 57.16 53.32 1aps n GLU 90 Cb 0.45 -2.51 0.00 0.00 1.43 0.00 0.00 31.44 30.81 1aps n GLU 90 CO 0.00 0.00 0.00 2.48 -0.16 0.00 0.00 177.13 179.45 1aps n TYR 91 N 0.56 0.00 -3.19 -1.84 0.18 -1.26 -5.10 117.16 106.52 1aps n TYR 91 Ca 0.53 0.00 -0.23 0.00 1.88 0.00 0.00 57.90 60.08 1aps n TYR 91 Cb 0.26 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.17 1aps n TYR 91 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 1aps n SER 92 N 0.00 1.82 -3.65 9.48 3.41 -1.26 -4.80 113.62 118.62 1aps n SER 92 Ca 0.00 -3.11 -0.02 0.00 -0.26 0.00 0.00 58.87 55.48 1aps n SER 92 Cb 0.00 -0.63 -0.07 0.00 -0.26 0.00 0.00 64.21 63.26 1aps n SER 92 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1aps s ASN 93 N -2.22 -0.22 -0.56 4.04 4.22 -1.26 -5.07 114.94 113.88 1aps s ASN 93 Ca 0.40 0.38 -0.04 0.00 -2.14 0.00 0.00 52.86 51.46 1aps s ASN 93 Cb 0.24 0.76 0.14 0.00 1.28 0.00 0.00 41.25 43.68 1aps s ASN 93 CO -0.09 -0.06 0.38 0.12 -2.04 0.00 0.00 177.10 175.41 1aps s PHE 94 N 0.66 3.48 0.37 1.54 5.36 -1.25 0.22 117.98 128.37 1aps s PHE 94 Ca -0.02 -2.49 0.05 0.00 -0.96 0.00 0.00 56.93 53.51 1aps s PHE 94 Cb -0.04 -3.28 -0.01 0.00 -0.34 0.00 0.00 43.02 39.36 1aps s PHE 94 CO -0.12 -0.91 0.54 0.45 -1.46 0.00 0.00 175.22 173.72 1aps s SER 95 N 1.33 5.90 0.35 6.13 0.15 -0.75 -4.52 113.70 122.28 1aps s SER 95 Ca 0.13 -0.07 -0.27 0.00 0.70 0.00 0.00 55.95 56.44 1aps s SER 95 Cb -0.21 -1.28 -0.12 0.00 -1.71 0.00 0.00 66.02 62.70 1aps s SER 95 CO -0.04 -0.54 1.12 0.55 1.20 0.00 0.00 173.24 175.54 1aps n VAL 96 N -1.78 2.14 -1.57 4.45 3.14 -1.26 -1.21 118.33 122.23 1aps n VAL 96 Ca 0.01 -0.50 -0.39 0.00 -2.96 0.00 0.00 64.34 60.49 1aps n VAL 96 Cb 0.58 -1.28 -0.03 0.00 -1.06 0.00 0.00 33.84 32.05 1aps n VAL 96 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 1aps n ARG 97 N 0.48 1.43 0.00 1.45 0.63 -1.22 -4.43 116.66 115.00 1aps n ARG 97 Ca 0.08 0.23 0.15 0.00 -0.92 0.00 0.00 57.85 57.39 1aps n ARG 97 Cb 0.36 -3.33 0.92 0.00 0.45 0.00 0.00 32.46 30.86 1aps n ARG 97 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78