#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aps h THR 2 N 0.00 0.56 -0.27 6.66 1.35 -1.76 -1.30 112.91 118.15 1aps h THR 2 Ca 0.00 -0.07 0.08 0.00 -0.55 0.00 0.00 66.41 65.86 1aps h THR 2 Cb 0.00 0.32 -0.01 0.00 -1.73 0.00 0.00 68.15 66.73 1aps h THR 2 CO 0.00 0.04 0.46 0.00 -0.25 0.00 0.00 175.52 175.77 1aps h ALA 3 N 1.57 1.86 -2.72 6.62 0.00 -1.89 -3.39 119.26 121.30 1aps h ALA 3 Ca 0.50 -0.01 -0.63 0.00 0.00 0.00 0.00 54.91 54.77 1aps h ALA 3 Cb 1.58 0.02 -0.15 0.00 0.00 0.00 0.00 17.79 19.24 1aps h ALA 3 CO -0.13 -0.60 -0.28 1.03 0.00 0.00 0.00 179.25 179.27 1aps s ARG 4 N -4.39 3.93 -0.97 0.00 3.00 -0.49 -5.00 118.95 115.04 1aps s ARG 4 Ca -0.04 -0.08 -0.06 0.00 0.00 0.00 0.00 55.73 55.55 1aps s ARG 4 Cb 0.12 -3.68 -0.05 0.00 0.00 0.00 0.00 34.95 31.34 1aps s ARG 4 CO 0.42 -0.31 2.17 -2.30 0.00 0.00 0.00 175.30 175.28 1aps n PRO 5 N 5.31 2.21 -3.95 3.54 -0.02 -1.26 -4.33 135.00 136.50 1aps n PRO 5 Ca -0.09 -1.51 -0.31 0.00 -2.02 0.00 0.00 63.50 59.57 1aps n PRO 5 Cb 0.51 -2.47 -0.15 0.00 -0.02 0.00 0.00 33.50 31.36 1aps n PRO 5 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1aps s LEU 6 N 0.10 3.07 -0.33 2.45 1.02 -1.26 -0.87 118.68 122.86 1aps s LEU 6 Ca 0.42 -1.45 -0.08 0.00 0.02 0.00 0.00 54.13 53.03 1aps s LEU 6 Cb 0.11 -1.27 0.02 0.00 0.02 0.00 0.00 46.19 45.06 1aps s LEU 6 CO -0.04 -0.28 0.13 -0.75 0.02 0.00 0.00 176.35 175.44 1aps s LYS 7 N 1.29 2.90 -0.58 1.70 2.20 -0.42 -0.42 119.74 126.41 1aps s LYS 7 Ca -0.01 -1.00 -0.25 0.00 -0.36 0.00 0.00 55.97 54.35 1aps s LYS 7 Cb -0.19 -3.53 0.04 0.00 -1.51 0.00 0.00 37.83 32.65 1aps s LYS 7 CO -0.09 -0.58 1.01 -1.54 -0.36 0.00 0.00 175.35 173.79 1aps s SER 8 N 1.50 6.32 -0.01 1.43 1.04 -0.35 -3.13 113.70 120.51 1aps s SER 8 Ca 0.01 -0.37 0.02 0.00 0.48 0.00 0.00 55.95 56.09 1aps s SER 8 Cb -0.18 -2.46 -0.03 0.00 0.10 0.00 0.00 66.02 63.44 1aps s SER 8 CO 0.04 -1.34 -0.04 -0.69 0.98 0.00 0.00 173.24 172.19 1aps s VAL 9 N 4.26 3.84 -0.04 5.02 1.01 0.55 -1.05 120.40 133.99 1aps s VAL 9 Ca 0.32 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.65 1aps s VAL 9 Cb -0.12 -2.67 -0.03 0.00 0.00 0.00 0.00 36.38 33.56 1aps s VAL 9 CO 0.19 0.43 -0.03 -1.81 0.00 0.00 0.00 175.10 173.87 1aps s ASP 10 N -1.35 4.90 0.27 3.32 1.01 -0.29 -0.47 116.67 124.07 1aps s ASP 10 Ca 0.17 -0.01 0.12 0.00 0.71 0.00 0.00 52.55 53.54 1aps s ASP 10 Cb -0.11 -1.26 -0.05 0.00 1.01 0.00 0.00 42.92 42.51 1aps s ASP 10 CO 0.07 0.33 -0.20 -0.72 0.21 0.00 0.00 175.17 174.86 1aps s TYR 11 N -0.94 2.26 -0.13 4.23 1.13 -1.04 -2.17 117.35 120.68 1aps s TYR 11 Ca 0.16 -0.34 -0.04 0.00 -1.41 0.00 0.00 57.07 55.43 1aps s TYR 11 Cb -0.11 -0.99 0.07 0.00 -1.10 0.00 0.00 41.96 39.82 1aps s TYR 11 CO 0.05 0.69 0.20 -2.00 -2.51 0.00 0.00 175.55 171.98 1aps s GLU 12 N -3.46 0.11 -0.23 -3.49 2.12 -0.35 -3.50 118.70 109.91 1aps s GLU 12 Ca 0.29 0.49 -0.20 0.00 0.36 0.00 0.00 54.97 55.91 1aps s GLU 12 Cb -0.05 -0.52 -0.02 0.00 0.26 0.00 0.00 34.13 33.79 1aps s GLU 12 CO 0.14 -0.41 0.63 0.08 -0.54 0.00 0.00 175.26 175.16 1aps s VAL 13 N 2.33 5.00 -1.34 3.70 1.01 0.58 -1.05 120.40 130.63 1aps s VAL 13 Ca 0.04 1.15 -0.12 0.00 0.00 0.00 0.00 61.98 63.05 1aps s VAL 13 Cb -0.13 -3.94 0.11 0.00 0.00 0.00 0.00 36.38 32.43 1aps s VAL 13 CO -0.08 0.07 1.96 0.49 0.00 0.00 0.00 175.10 177.54 1aps n PHE 14 N 5.37 3.44 -2.35 5.22 3.72 0.26 -1.81 117.46 131.31 1aps n PHE 14 Ca -0.01 -2.91 -0.43 0.00 -0.05 0.00 0.00 57.45 54.05 1aps n PHE 14 Cb 0.49 -2.24 0.00 0.00 -0.94 0.00 0.00 39.48 36.80 1aps n PHE 14 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1aps n GLY 15 N 3.56 4.17 0.27 1.37 0.00 -1.14 -4.66 105.19 108.75 1aps n GLY 15 Ca 0.45 -1.89 -0.06 0.00 0.00 0.00 0.00 46.02 44.51 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 5.23 -0.27 -3.47 1.61 3.00 -1.26 -1.56 116.66 119.94 1aps n ARG 16 Ca 0.43 0.99 -0.27 0.00 -0.01 0.00 0.00 57.85 58.99 1aps n ARG 16 Cb 0.39 -1.45 -0.09 0.00 0.00 0.00 0.00 32.46 31.31 1aps n ARG 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1aps n VAL 17 N -4.84 1.32 -3.05 1.55 0.31 -1.26 -4.63 118.33 107.73 1aps n VAL 17 Ca 0.02 -4.77 0.00 0.00 -0.01 0.00 0.00 64.34 59.59 1aps n VAL 17 Cb 0.18 -2.05 0.00 0.00 -0.91 0.00 0.00 33.84 31.06 1aps n VAL 17 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1aps n GLN 18 N 1.35 0.00 0.00 5.55 6.02 -0.60 -4.86 117.38 124.84 1aps n GLN 18 Ca 0.26 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.25 1aps n GLN 18 Cb 0.43 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.69 1aps n GLN 18 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1aps n GLY 19 N 0.00 1.23 3.54 1.08 0.00 -1.26 -4.79 105.19 104.99 1aps n GLY 19 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1aps n GLY 19 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1aps n VAL 20 N 0.00 -0.06 -2.92 1.61 0.24 -1.26 -4.62 118.33 111.32 1aps n VAL 20 Ca 0.00 -0.57 -0.44 0.00 -2.04 0.00 0.00 64.34 61.29 1aps n VAL 20 Cb 0.00 -2.13 0.00 0.00 -1.47 0.00 0.00 33.84 30.24 1aps n VAL 20 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1aps h PHE 22 N 6.27 0.00 -3.14 0.00 3.57 -1.94 -3.40 116.94 118.30 1aps h PHE 22 Ca 0.27 0.00 -0.55 0.00 3.53 0.00 0.00 57.97 61.22 1aps h PHE 22 Cb 0.75 0.00 0.20 0.00 2.79 0.00 0.00 35.95 39.69 1aps h PHE 22 CO 1.03 0.93 -0.57 0.54 -2.23 0.00 0.00 178.31 178.01 1aps n ARG 23 N -3.42 0.11 0.00 1.11 5.12 -1.26 -2.00 116.66 116.32 1aps n ARG 23 Ca -0.00 0.08 0.00 0.00 -1.93 0.00 0.00 57.85 56.00 1aps n ARG 23 Cb 0.89 -1.75 0.00 0.00 -1.16 0.00 0.00 32.46 30.43 1aps n ARG 23 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 1aps n MET 24 N -0.70 0.00 -0.18 5.56 2.81 -1.26 -4.38 117.12 118.97 1aps n MET 24 Ca 0.08 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 55.90 1aps n MET 24 Cb 0.51 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 33.01 1aps n MET 24 CO 0.00 0.00 0.00 -0.92 1.51 0.00 0.00 175.97 176.56 1aps h TYR 25 N 0.00 -1.06 0.03 2.03 3.20 -1.92 0.04 116.97 119.30 1aps h TYR 25 Ca 0.00 0.07 -0.00 0.00 3.14 0.00 0.00 58.73 61.94 1aps h TYR 25 Cb 0.00 0.54 -0.00 0.00 1.54 0.00 0.00 36.73 38.80 1aps h TYR 25 CO 0.00 -0.40 -0.05 0.00 -1.64 0.00 0.00 178.16 176.06 1aps h ALA 26 N 0.77 -0.70 -0.61 1.82 0.00 -1.60 -2.50 119.26 116.43 1aps h ALA 26 Ca 0.19 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.14 1aps h ALA 26 Cb 0.56 0.39 -0.07 0.00 0.00 0.00 0.00 17.79 18.67 1aps h ALA 26 CO -0.64 -0.71 -0.36 0.39 0.00 0.00 0.00 179.25 177.93 1aps n GLU 27 N -2.68 -0.27 0.11 0.00 4.71 -0.87 -0.55 120.64 121.10 1aps n GLU 27 Ca -0.01 1.26 -0.13 0.00 -0.01 0.00 0.00 57.16 58.26 1aps n GLU 27 Cb 0.05 -1.86 -0.08 0.00 -1.01 0.00 0.00 31.44 28.54 1aps n GLU 27 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 1aps h ASP 28 N 0.00 -0.21 -0.12 1.62 5.19 -1.09 -1.23 116.42 120.57 1aps h ASP 28 Ca 0.10 -0.12 -0.13 0.00 -0.62 0.00 0.00 57.03 56.25 1aps h ASP 28 Cb 0.25 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.80 1aps h ASP 28 CO -0.57 -0.00 -0.38 -0.33 -3.12 0.00 0.00 179.24 174.84 1aps h GLU 29 N -0.41 0.64 -0.72 3.56 5.08 -1.17 -2.36 114.58 119.20 1aps h GLU 29 Ca -0.03 -0.32 -0.03 0.00 -1.00 0.00 0.00 59.36 57.98 1aps h GLU 29 Cb 0.32 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 1aps h GLU 29 CO 0.04 0.92 0.33 0.00 -1.00 0.00 0.00 179.01 179.30 1aps h ALA 30 N 1.05 0.94 -0.23 3.43 0.00 -0.71 0.15 119.26 123.89 1aps h ALA 30 Ca 0.05 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.86 1aps h ALA 30 Cb 0.89 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 1aps h ALA 30 CO 0.08 0.52 -0.16 -0.09 0.00 0.00 0.00 179.25 179.60 1aps h ARG 31 N 1.02 -0.15 -0.93 0.00 2.43 -1.04 0.38 114.38 116.10 1aps h ARG 31 Ca 0.25 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.41 1aps h ARG 31 Cb 0.15 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.69 1aps h ARG 31 CO -0.03 -0.10 0.53 0.87 -1.51 0.00 0.00 179.97 179.73 1aps h LYS 32 N -0.15 1.27 -0.37 0.20 1.79 -0.74 -1.04 116.57 117.53 1aps h LYS 32 Ca 0.13 -0.13 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 1aps h LYS 32 Cb 0.35 -0.26 -0.02 0.00 -1.58 0.00 0.00 32.23 30.72 1aps h LYS 32 CO -0.33 0.91 0.15 0.82 -1.08 0.00 0.00 179.45 179.93 1aps h ILE 33 N 1.29 1.14 -0.02 1.86 1.08 -0.51 -3.47 117.51 118.87 1aps h ILE 33 Ca 0.33 -0.43 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 1aps h ILE 33 Cb -0.01 0.70 0.00 0.00 -3.07 0.00 0.00 36.82 34.44 1aps h ILE 33 CO -0.06 0.17 0.00 0.61 -0.69 0.00 0.00 178.15 178.18 1aps n GLY 34 N -1.23 1.29 3.40 5.37 0.00 -0.39 -4.76 105.19 108.87 1aps n GLY 34 Ca 0.02 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1aps n GLY 34 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1aps s VAL 35 N -2.02 2.11 0.16 1.61 -7.23 -0.01 -4.53 120.40 110.49 1aps s VAL 35 Ca 0.00 -2.22 0.08 0.00 -1.81 0.00 0.00 61.98 58.03 1aps s VAL 35 Cb 0.00 -2.12 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 1aps s VAL 35 CO 0.00 -0.42 -0.17 -0.69 -0.31 0.00 0.00 175.10 173.51 1aps s VAL 36 N -2.49 1.70 -2.33 1.32 1.01 0.47 -3.03 120.40 117.04 1aps s VAL 36 Ca 0.24 -1.90 0.00 0.00 0.00 0.00 0.00 61.98 60.32 1aps s VAL 36 Cb -0.04 -1.80 0.00 0.00 0.00 0.00 0.00 36.38 34.54 1aps s VAL 36 CO 0.10 -0.37 0.00 0.61 0.00 0.00 0.00 175.10 175.44 1aps n GLY 37 N 0.27 0.41 3.72 4.51 0.00 -0.15 -0.15 105.19 113.80 1aps n GLY 37 Ca -0.13 -1.29 -0.05 0.00 0.00 0.00 0.00 46.02 44.55 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 -4.00 -0.18 -0.11 1.61 1.48 -0.09 -1.78 118.94 115.87 1aps s TRP 38 Ca 0.00 -0.11 -0.03 0.00 -1.06 0.00 0.00 56.10 54.90 1aps s TRP 38 Cb 0.00 0.63 -0.03 0.00 -1.16 0.00 0.00 33.47 32.91 1aps s TRP 38 CO 0.00 -0.82 -0.01 0.08 -4.06 0.00 0.00 176.95 172.14 1aps s VAL 39 N -3.32 4.20 -0.26 -0.66 1.01 -0.80 -1.66 120.40 118.90 1aps s VAL 39 Ca 0.11 -0.28 -0.02 0.00 0.00 0.00 0.00 61.98 61.80 1aps s VAL 39 Cb -0.02 -2.79 0.03 0.00 0.00 0.00 0.00 36.38 33.60 1aps s VAL 39 CO 0.01 0.56 -0.05 -0.75 0.00 0.00 0.00 175.10 174.87 1aps s LYS 40 N -0.44 2.76 -0.28 2.72 2.20 0.10 -0.19 119.74 126.61 1aps s LYS 40 Ca 0.08 -1.03 -0.17 0.00 -0.36 0.00 0.00 55.97 54.49 1aps s LYS 40 Cb -0.12 -3.02 -0.03 0.00 -1.51 0.00 0.00 37.83 33.15 1aps s LYS 40 CO 0.02 -0.44 0.48 0.54 -0.36 0.00 0.00 175.35 175.59 1aps s ASN 41 N 1.31 6.37 0.62 1.43 4.22 -1.26 -1.81 114.94 125.82 1aps s ASN 41 Ca -0.01 0.38 0.08 0.00 -2.14 0.00 0.00 52.86 51.17 1aps s ASN 41 Cb -0.17 -2.26 0.11 0.00 1.28 0.00 0.00 41.25 40.21 1aps s ASN 41 CO -0.04 -0.29 0.86 0.42 -2.04 0.00 0.00 177.10 176.01 1aps s THR 42 N 2.26 2.02 0.10 0.54 -4.23 -1.26 -4.93 115.64 110.14 1aps s THR 42 Ca 0.19 -0.93 -0.26 0.00 -1.18 0.00 0.00 61.69 59.51 1aps s THR 42 Cb -0.16 -2.09 -0.12 0.00 1.34 0.00 0.00 72.50 71.48 1aps s THR 42 CO 0.10 0.00 1.68 0.77 -0.54 0.00 0.00 174.62 176.63 1aps h SER 43 N -0.01 -0.40 -1.71 3.99 4.64 -1.98 -3.32 113.55 114.76 1aps h SER 43 Ca -0.29 0.04 -0.68 0.00 -0.47 0.00 0.00 61.79 60.39 1aps h SER 43 Cb 1.28 0.14 -0.35 0.00 -0.31 0.00 0.00 62.40 63.17 1aps h SER 43 CO 0.40 -0.23 0.15 0.29 -0.87 0.00 0.00 176.83 176.57 1aps n LYS 44 N -5.27 3.10 -0.67 4.77 5.02 -1.26 -4.79 118.16 119.04 1aps n LYS 44 Ca -0.07 -4.00 0.00 0.00 -2.02 0.00 0.00 58.31 52.21 1aps n LYS 44 Cb 0.19 -2.26 0.00 0.00 -0.02 0.00 0.00 35.03 32.94 1aps n LYS 44 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1aps n GLY 45 N -0.53 0.02 3.57 0.72 0.00 -1.23 -4.45 105.19 103.30 1aps n GLY 45 Ca 0.47 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.06 3.25 -0.85 2.61 -4.23 -1.25 -2.90 115.64 111.22 1aps s THR 46 Ca 0.00 -0.37 -0.25 0.00 -1.18 0.00 0.00 61.69 59.90 1aps s THR 46 Cb 0.00 -4.01 0.01 0.00 1.34 0.00 0.00 72.50 69.83 1aps s THR 46 CO 0.00 -0.48 1.63 -0.69 -0.54 0.00 0.00 174.62 174.54 1aps s VAL 47 N 13.71 3.64 0.00 2.29 1.01 -0.75 -4.11 120.40 136.20 1aps s VAL 47 Ca 0.77 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.53 1aps s VAL 47 Cb -0.05 -4.53 0.00 0.00 0.00 0.00 0.00 36.38 31.80 1aps s VAL 47 CO 0.12 -1.46 0.00 1.07 0.00 0.00 0.00 175.10 174.83 1aps n THR 48 N 7.12 0.00 0.00 3.92 5.66 -0.75 -0.31 114.28 129.92 1aps n THR 48 Ca 0.26 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.26 1aps n THR 48 Cb 0.50 -0.87 0.00 0.00 -1.55 0.00 0.00 70.33 68.41 1aps n THR 48 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1aps n GLY 49 N 5.00 0.86 3.15 1.09 0.00 -1.23 0.00 105.19 114.06 1aps n GLY 49 Ca 0.00 -1.98 -0.29 0.00 0.00 0.00 0.00 46.02 43.75 1aps n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1aps s GLN 50 N -1.56 2.39 -0.27 1.61 -0.21 -0.67 -2.51 119.66 118.44 1aps s GLN 50 Ca 0.00 -0.69 0.03 0.00 0.02 0.00 0.00 55.36 54.72 1aps s GLN 50 Cb 0.00 -1.89 0.06 0.00 1.00 0.00 0.00 33.01 32.19 1aps s GLN 50 CO 0.00 0.15 -0.09 0.08 -2.12 0.00 0.00 175.29 173.31 1aps s VAL 51 N 0.37 2.20 -0.13 1.09 1.01 0.39 -0.91 120.40 124.42 1aps s VAL 51 Ca -0.14 -1.72 -0.01 0.00 0.00 0.00 0.00 61.98 60.10 1aps s VAL 51 Cb -0.16 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 1aps s VAL 51 CO 0.06 -0.10 -0.09 -1.58 0.00 0.00 0.00 175.10 173.38 1aps s GLN 52 N 1.08 3.39 -0.04 2.72 -0.44 0.79 -0.33 119.66 126.83 1aps s GLN 52 Ca -0.06 -0.62 -0.30 0.00 -2.50 0.00 0.00 55.36 51.88 1aps s GLN 52 Cb -0.20 -2.71 0.11 0.00 -1.64 0.00 0.00 33.01 28.57 1aps s GLN 52 CO -0.05 0.28 0.93 0.20 0.50 0.00 0.00 175.29 177.15 1aps s GLY 53 N 0.20 -0.43 0.45 2.59 0.00 -1.18 -0.40 107.32 108.55 1aps s GLY 53 Ca -0.05 1.20 -0.25 0.00 0.00 0.00 0.00 44.72 45.61 1aps s GLY 53 CO 0.04 0.44 1.44 -1.05 0.00 0.00 0.00 173.10 173.97 1aps n PRO 54 N -0.11 2.27 -0.11 2.90 -0.02 -1.26 -1.30 135.00 137.37 1aps n PRO 54 Ca -0.08 0.81 -0.03 0.00 -2.02 0.00 0.00 63.50 62.18 1aps n PRO 54 Cb 0.61 -2.64 -0.03 0.00 -0.02 0.00 0.00 33.50 31.43 1aps n PRO 54 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1aps n GLU 55 N -0.18 -0.12 -0.28 -0.52 2.13 -0.05 -1.03 120.64 120.60 1aps n GLU 55 Ca 0.05 0.79 0.17 0.00 0.66 0.00 0.00 57.16 58.83 1aps n GLU 55 Cb 0.41 -1.17 0.45 0.00 0.27 0.00 0.00 31.44 31.41 1aps n GLU 55 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 1aps h GLU 56 N 0.00 0.51 -0.16 5.31 9.09 -1.92 -1.71 114.58 125.70 1aps h GLU 56 Ca 0.04 -0.03 -0.17 0.00 0.05 0.00 0.00 59.36 59.25 1aps h GLU 56 Cb 0.11 -0.11 0.01 0.00 -1.65 0.00 0.00 28.75 27.10 1aps h GLU 56 CO -0.25 0.34 -0.58 0.87 0.05 0.00 0.00 179.01 179.44 1aps h LYS 57 N 0.52 0.68 -0.27 1.06 1.57 -1.38 -2.36 116.57 116.39 1aps h LYS 57 Ca 0.50 -0.51 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 1aps h LYS 57 Cb 1.08 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.47 1aps h LYS 57 CO -0.23 1.13 -0.11 -0.39 -0.57 0.00 0.00 179.45 179.27 1aps h VAL 58 N 0.37 1.22 -0.36 0.50 -1.51 -0.60 -0.10 116.25 115.77 1aps h VAL 58 Ca -0.03 -0.95 0.04 0.00 -1.23 0.00 0.00 66.70 64.53 1aps h VAL 58 Cb 1.20 1.14 -0.04 0.00 -2.13 0.00 0.00 31.29 31.47 1aps h VAL 58 CO 0.12 0.31 0.13 0.78 -1.23 0.00 0.00 177.57 177.68 1aps h ASN 59 N 0.41 0.15 -0.50 4.19 4.21 -1.21 0.11 115.58 122.95 1aps h ASN 59 Ca 0.08 0.04 0.00 0.00 1.21 0.00 0.00 56.30 57.63 1aps h ASN 59 Cb 0.45 0.02 -0.02 0.00 -1.12 0.00 0.00 38.32 37.65 1aps h ASN 59 CO 0.03 0.12 0.32 -1.28 -1.29 0.00 0.00 177.43 175.33 1aps h SER 60 N 0.29 0.58 -0.93 5.81 0.87 -0.88 -1.52 113.55 117.76 1aps h SER 60 Ca 0.16 -0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.73 1aps h SER 60 Cb 0.13 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 61.89 1aps h SER 60 CO -0.16 0.43 0.60 -0.03 -0.53 0.00 0.00 176.83 177.14 1aps h MET 61 N 0.67 1.14 -0.58 2.24 -1.53 -0.72 0.45 114.93 116.60 1aps h MET 61 Ca 0.18 -0.07 -0.10 0.00 -3.44 0.00 0.00 59.70 56.27 1aps h MET 61 Cb -0.06 -0.26 -0.02 0.00 -0.55 0.00 0.00 31.60 30.71 1aps h MET 61 CO -0.04 0.75 -0.04 0.87 0.14 0.00 0.00 176.91 178.59 1aps h LYS 62 N 1.18 1.05 -0.83 0.39 1.57 -0.86 -3.06 116.57 116.00 1aps h LYS 62 Ca 0.37 -0.36 0.04 0.00 -1.87 0.00 0.00 60.65 58.83 1aps h LYS 62 Cb -0.01 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.16 1aps h LYS 62 CO -0.12 1.05 0.53 0.77 -0.57 0.00 0.00 179.45 181.12 1aps h SER 63 N 0.94 0.87 -3.76 0.86 0.02 -0.69 -3.41 113.55 108.38 1aps h SER 63 Ca 0.16 -0.00 -0.43 0.00 -0.84 0.00 0.00 61.79 60.68 1aps h SER 63 Cb 0.61 -0.19 0.18 0.00 0.14 0.00 0.00 62.40 63.14 1aps h SER 63 CO 0.04 0.60 0.32 0.86 -1.14 0.00 0.00 176.83 177.50 1aps s TRP 64 N -6.10 0.98 0.00 3.45 -0.00 0.10 -3.23 118.94 114.14 1aps s TRP 64 Ca -0.13 0.32 0.00 0.00 -0.00 0.00 0.00 56.10 56.29 1aps s TRP 64 Cb 0.17 -3.94 0.00 0.00 -0.00 0.00 0.00 33.47 29.70 1aps s TRP 64 CO 0.79 -3.23 0.00 1.28 -0.00 0.00 0.00 176.95 175.79 1aps n LEU 65 N -4.20 0.00 0.08 5.86 4.77 -1.24 -4.00 117.00 118.27 1aps n LEU 65 Ca 0.16 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.92 1aps n LEU 65 Cb 0.59 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.54 1aps n LEU 65 CO 0.44 0.00 -0.03 0.77 -1.33 0.00 0.00 177.39 177.24 1aps h SER 66 N 0.00 0.69 -1.63 -1.43 4.64 -1.78 -3.42 113.55 110.62 1aps h SER 66 Ca 0.00 -0.88 -0.45 0.00 -0.47 0.00 0.00 61.79 59.98 1aps h SER 66 Cb 0.00 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 61.87 1aps h SER 66 CO 0.00 1.52 1.54 -0.75 -0.87 0.00 0.00 176.83 178.27 1aps s LYS 67 N -2.73 2.16 -0.67 4.77 2.36 -1.20 -4.93 119.74 119.50 1aps s LYS 67 Ca -0.11 1.24 -0.07 0.00 -2.55 0.00 0.00 55.97 54.48 1aps s LYS 67 Cb 0.03 -4.56 0.17 0.00 -1.05 0.00 0.00 37.83 32.42 1aps s LYS 67 CO 0.89 -3.24 0.52 0.14 1.55 0.00 0.00 175.35 175.21 1aps s VAL 68 N 11.82 4.32 0.23 4.02 -7.23 -1.26 -4.84 120.40 127.45 1aps s VAL 68 Ca 0.92 -2.69 0.04 0.00 -1.81 0.00 0.00 61.98 58.44 1aps s VAL 68 Cb -0.16 -3.76 -0.03 0.00 0.56 0.00 0.00 36.38 32.98 1aps s VAL 68 CO 0.24 -0.91 0.36 -0.83 -0.31 0.00 0.00 175.10 173.66 1aps s GLY 69 N 1.33 1.35 -0.01 2.32 0.00 -1.26 -4.91 107.32 106.13 1aps s GLY 69 Ca 0.16 -1.15 0.05 0.00 0.00 0.00 0.00 44.72 43.79 1aps s GLY 69 CO -0.05 -1.15 -0.17 -0.45 0.00 0.00 0.00 173.10 171.28 1aps s SER 70 N -3.80 2.05 0.00 1.64 0.15 -1.26 -4.84 113.70 107.64 1aps s SER 70 Ca 0.35 -0.32 0.21 0.00 0.70 0.00 0.00 55.95 56.89 1aps s SER 70 Cb -0.10 -0.23 0.51 0.00 -1.71 0.00 0.00 66.02 64.50 1aps s SER 70 CO 0.29 0.21 1.44 -0.81 1.20 0.00 0.00 173.24 175.57 1aps n PRO 71 N 2.66 2.62 0.00 5.44 -0.04 -1.26 -4.94 135.00 139.47 1aps n PRO 71 Ca -0.15 -2.42 0.00 0.00 -0.04 0.00 0.00 63.50 60.89 1aps n PRO 71 Cb 0.54 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 1aps n PRO 71 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1aps n SER 72 N 1.41 -0.04 -4.77 3.54 7.64 -1.26 -5.08 113.62 115.06 1aps n SER 72 Ca 0.21 0.08 -0.27 0.00 1.01 0.00 0.00 58.87 59.90 1aps n SER 72 Cb 0.58 0.14 -0.06 0.00 -1.01 0.00 0.00 64.21 63.85 1aps n SER 72 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1aps s SER 73 N -1.14 4.37 -0.00 6.43 1.04 -1.26 -5.07 113.70 118.06 1aps s SER 73 Ca 0.00 -1.23 -0.30 0.00 0.48 0.00 0.00 55.95 54.90 1aps s SER 73 Cb 0.00 -0.13 -0.03 0.00 0.10 0.00 0.00 66.02 65.96 1aps s SER 73 CO 0.00 -0.70 1.05 0.00 0.98 0.00 0.00 173.24 174.57 1aps s ARG 74 N -3.96 4.50 -1.10 4.02 3.03 -1.26 -4.63 118.95 119.55 1aps s ARG 74 Ca 0.33 1.51 -0.22 0.00 2.03 0.00 0.00 55.73 59.38 1aps s ARG 74 Cb 0.03 -3.45 0.00 0.00 -1.03 0.00 0.00 34.95 30.50 1aps s ARG 74 CO 0.19 -0.16 1.75 0.42 -1.13 0.00 0.00 175.30 176.37 1aps s ILE 75 N 1.24 3.77 -0.95 4.99 1.09 -1.26 -4.69 121.20 125.39 1aps s ILE 75 Ca 0.53 -1.00 -0.24 0.00 -1.10 0.00 0.00 60.65 58.84 1aps s ILE 75 Cb -0.23 -4.73 0.02 0.00 -1.06 0.00 0.00 42.46 36.46 1aps s ILE 75 CO 0.27 -1.51 1.60 1.51 -0.10 0.00 0.00 174.94 176.71 1aps s ASP 76 N 5.87 6.03 0.04 3.58 -4.77 -1.26 -4.63 116.67 121.53 1aps s ASP 76 Ca 0.59 -1.08 0.00 0.00 -3.30 0.00 0.00 52.55 48.76 1aps s ASP 76 Cb -0.01 -2.56 0.00 0.00 -1.09 0.00 0.00 42.92 39.26 1aps s ASP 76 CO 0.02 -1.93 0.00 -1.14 0.70 0.00 0.00 175.17 172.82 1aps n ARG 77 N 8.93 -3.17 -4.03 2.11 3.00 -1.26 -2.09 116.66 120.15 1aps n ARG 77 Ca 0.32 2.48 -0.34 0.00 -0.00 0.00 0.00 57.85 60.32 1aps n ARG 77 Cb 0.50 -2.88 -0.15 0.00 0.00 0.00 0.00 32.46 29.93 1aps n ARG 77 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1aps s THR 78 N -0.34 2.53 -0.10 5.15 2.01 -1.26 -0.57 115.64 123.05 1aps s THR 78 Ca 0.00 -1.00 -0.05 0.00 0.31 0.00 0.00 61.69 60.95 1aps s THR 78 Cb 0.00 -2.21 -0.04 0.00 0.01 0.00 0.00 72.50 70.26 1aps s THR 78 CO 0.00 0.33 0.10 0.21 -0.69 0.00 0.00 174.62 174.57 1aps s ASN 79 N 1.30 6.01 -0.40 3.53 3.84 -0.22 -4.78 114.94 124.22 1aps s ASN 79 Ca 0.02 0.36 -0.00 0.00 0.21 0.00 0.00 52.86 53.44 1aps s ASN 79 Cb -0.15 -1.87 0.11 0.00 -0.55 0.00 0.00 41.25 38.79 1aps s ASN 79 CO -0.08 0.39 0.16 -0.36 -2.79 0.00 0.00 177.10 174.43 1aps s PHE 80 N -1.00 3.63 0.06 0.43 0.08 -1.26 -1.22 117.98 118.70 1aps s PHE 80 Ca 0.15 -2.68 0.01 0.00 0.12 0.00 0.00 56.93 54.52 1aps s PHE 80 Cb -0.12 -3.10 -0.04 0.00 -0.57 0.00 0.00 43.02 39.20 1aps s PHE 80 CO 0.04 -0.95 -0.05 -1.54 -0.10 0.00 0.00 175.22 172.62 1aps s SER 81 N 1.33 0.76 -0.16 1.36 1.04 -0.92 -4.98 113.70 112.13 1aps s SER 81 Ca 0.10 -0.86 -0.00 0.00 0.48 0.00 0.00 55.95 55.67 1aps s SER 81 Cb -0.21 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.03 1aps s SER 81 CO -0.05 -0.44 0.00 0.59 0.98 0.00 0.00 173.24 174.32 1aps n ASN 82 N 0.49 -5.06 -4.11 7.02 3.02 -1.26 -3.77 115.26 111.59 1aps n ASN 82 Ca -0.16 0.76 -0.33 0.00 -0.03 0.00 0.00 54.58 54.82 1aps n ASN 82 Cb 0.59 -3.31 -0.15 0.00 -0.61 0.00 0.00 39.78 36.31 1aps n ASN 82 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1aps s GLU 83 N -0.86 2.43 -0.18 3.52 8.01 -1.26 -1.13 118.70 129.23 1aps s GLU 83 Ca -0.01 -1.23 -0.04 0.00 0.01 0.00 0.00 54.97 53.70 1aps s GLU 83 Cb 0.00 -2.93 0.06 0.00 -4.31 0.00 0.00 34.13 26.95 1aps s GLU 83 CO 0.42 -0.52 0.06 -1.59 0.01 0.00 0.00 175.26 173.64 1aps s LYS 84 N 1.18 0.32 -0.01 1.61 -2.85 -0.21 -5.02 119.74 114.76 1aps s LYS 84 Ca -0.06 -0.21 -0.30 0.00 -1.00 0.00 0.00 55.97 54.40 1aps s LYS 84 Cb -0.19 -1.90 -0.06 0.00 -2.06 0.00 0.00 37.83 33.62 1aps s LYS 84 CO -0.05 -0.64 1.52 0.95 0.10 0.00 0.00 175.35 177.23 1aps s THR 85 N 2.02 3.54 0.00 3.79 -4.23 -1.26 -1.21 115.64 118.29 1aps s THR 85 Ca 0.01 0.87 0.00 0.00 -1.18 0.00 0.00 61.69 61.38 1aps s THR 85 Cb -0.16 -3.56 0.00 0.00 1.34 0.00 0.00 72.50 70.12 1aps s THR 85 CO -0.08 -0.03 0.00 2.30 -0.54 0.00 0.00 174.62 176.27 1aps n ILE 86 N 4.94 0.00 -4.33 2.99 -5.35 0.44 -2.86 119.36 115.19 1aps n ILE 86 Ca 0.15 0.00 -0.19 0.00 -0.27 0.00 0.00 62.75 62.44 1aps n ILE 86 Cb 0.43 0.00 -0.14 0.00 -1.74 0.00 0.00 39.64 38.19 1aps n ILE 86 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1aps s SER 87 N 1.00 1.31 0.61 7.28 0.15 -1.26 -4.04 113.70 118.74 1aps s SER 87 Ca 0.00 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.31 1aps s SER 87 Cb 0.00 -0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.21 1aps s SER 87 CO 0.00 0.04 0.00 0.29 1.20 0.00 0.00 173.24 174.77 1aps n LYS 88 N 2.27 -3.49 -3.22 5.44 4.01 -1.26 -4.81 118.16 117.11 1aps n LYS 88 Ca -0.17 2.82 -0.46 0.00 -0.51 0.00 0.00 58.31 59.99 1aps n LYS 88 Cb 0.56 -3.89 -0.03 0.00 -0.51 0.00 0.00 35.03 31.16 1aps n LYS 88 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1aps s LEU 89 N -6.76 6.18 -0.08 -0.35 1.43 -1.26 -4.96 118.68 112.88 1aps s LEU 89 Ca 0.00 -2.28 0.00 0.00 -1.03 0.00 0.00 54.13 50.82 1aps s LEU 89 Cb 0.00 -2.26 0.09 0.00 0.03 0.00 0.00 46.19 44.05 1aps s LEU 89 CO 0.00 -0.78 1.53 -0.62 0.23 0.00 0.00 176.35 176.72 1aps n GLU 90 N 4.94 1.22 -3.62 1.70 1.02 -1.26 -4.79 120.64 119.85 1aps n GLU 90 Ca 0.09 -0.48 -0.16 0.00 -0.02 0.00 0.00 57.16 56.59 1aps n GLU 90 Cb 0.46 -1.19 -0.07 0.00 -0.02 0.00 0.00 31.44 30.62 1aps n GLU 90 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1aps s TYR 91 N -0.54 -0.45 -1.12 -0.32 2.02 -1.26 -5.06 117.35 110.62 1aps s TYR 91 Ca 0.09 0.74 -0.21 0.00 -0.37 0.00 0.00 57.07 57.31 1aps s TYR 91 Cb 0.08 0.28 0.04 0.00 -0.40 0.00 0.00 41.96 41.95 1aps s TYR 91 CO 0.01 -0.53 1.64 -1.54 -1.57 0.00 0.00 175.55 173.56 1aps s SER 92 N -1.32 6.38 0.39 2.29 1.04 -1.26 -4.76 113.70 116.46 1aps s SER 92 Ca -0.11 -1.74 0.00 0.00 0.48 0.00 0.00 55.95 54.57 1aps s SER 92 Cb -0.02 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.53 1aps s SER 92 CO 0.07 -1.63 0.00 0.59 0.98 0.00 0.00 173.24 173.25 1aps n ASN 93 N 9.62 -8.71 -4.61 7.02 4.13 -1.26 -4.53 115.26 116.91 1aps n ASN 93 Ca 0.40 0.73 -0.43 0.00 1.68 0.00 0.00 54.58 56.97 1aps n ASN 93 Cb 0.49 -4.53 -0.02 0.00 -1.54 0.00 0.00 39.78 34.18 1aps n ASN 93 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1aps s PHE 94 N -2.59 2.83 0.00 3.10 2.19 -1.17 -0.98 117.98 121.36 1aps s PHE 94 Ca 0.00 0.86 0.00 0.00 0.33 0.00 0.00 56.93 58.12 1aps s PHE 94 Cb 0.00 -4.15 0.00 0.00 -1.31 0.00 0.00 43.02 37.56 1aps s PHE 94 CO 0.00 -1.30 0.00 -1.13 1.83 0.00 0.00 175.22 174.62 1aps n SER 95 N 7.69 0.00 -2.24 6.13 3.41 -0.74 -4.27 113.62 123.60 1aps n SER 95 Ca 0.13 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.72 1aps n SER 95 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 1aps n SER 95 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1aps n VAL 96 N 0.00 0.00 -2.53 -3.33 0.24 -1.26 -4.35 118.33 107.10 1aps n VAL 96 Ca 0.00 -0.17 -0.42 0.00 -2.04 0.00 0.00 64.34 61.71 1aps n VAL 96 Cb 0.00 -0.75 -0.03 0.00 -1.47 0.00 0.00 33.84 31.59 1aps n VAL 96 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1aps s ARG 97 N -2.21 4.39 0.00 7.34 1.70 -1.25 -1.91 118.95 127.01 1aps s ARG 97 Ca 0.04 1.59 0.04 0.00 -0.47 0.00 0.00 55.73 56.93 1aps s ARG 97 Cb -0.00 -3.53 0.03 0.00 -0.57 0.00 0.00 34.95 30.88 1aps s ARG 97 CO 0.03 -0.37 0.61 0.66 -1.08 0.00 0.00 175.30 175.15