#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 -1.26 -4.91 114.28 108.33 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 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 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 -1.43 0.00 -1.59 6.98 0.00 -0.72 -5.03 120.51 118.72 1aps n ALA 3 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 53.44 52.94 1aps n ALA 3 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 1.22 -1.28 0.00 3.00 -1.17 -4.65 116.66 113.79 1aps n ARG 4 Ca 0.00 0.44 -0.39 0.00 -0.01 0.00 0.00 57.85 57.89 1aps n ARG 4 Cb 0.00 -2.03 -0.07 0.00 0.00 0.00 0.00 32.46 30.36 1aps n ARG 4 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 1aps n PRO 5 N 2.23 1.21 -4.38 5.56 -0.02 -1.26 -2.87 135.00 135.46 1aps n PRO 5 Ca 0.17 -1.85 -0.25 0.00 -2.02 0.00 0.00 63.50 59.55 1aps n PRO 5 Cb 0.22 -3.09 -0.17 0.00 -0.02 0.00 0.00 33.50 30.45 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 4.05 1.52 -0.34 2.45 1.02 -1.25 -4.48 118.68 121.65 1aps s LEU 6 Ca 0.63 -0.30 -0.15 0.00 0.02 0.00 0.00 54.13 54.33 1aps s LEU 6 Cb 0.10 -0.82 -0.01 0.00 0.02 0.00 0.00 46.19 45.48 1aps s LEU 6 CO 0.16 -0.01 0.36 -0.54 0.02 0.00 0.00 176.35 176.34 1aps s LYS 7 N 0.96 3.59 -0.22 1.70 -0.14 -0.33 -0.61 119.74 124.69 1aps s LYS 7 Ca -0.09 -0.40 -0.06 0.00 -1.36 0.00 0.00 55.97 54.06 1aps s LYS 7 Cb -0.15 -3.79 -0.03 0.00 -1.68 0.00 0.00 37.83 32.18 1aps s LYS 7 CO 0.00 -0.51 0.03 0.45 -0.76 0.00 0.00 175.35 174.57 1aps s SER 8 N 1.73 5.01 -0.33 2.83 0.15 0.41 -1.00 113.70 122.48 1aps s SER 8 Ca 0.12 -0.19 -0.03 0.00 0.70 0.00 0.00 55.95 56.55 1aps s SER 8 Cb -0.16 -1.88 0.06 0.00 -1.71 0.00 0.00 66.02 62.33 1aps s SER 8 CO 0.12 0.03 0.07 -0.69 1.20 0.00 0.00 173.24 173.96 1aps s VAL 9 N 1.22 3.27 -0.73 4.45 1.01 0.33 -0.08 120.40 129.87 1aps s VAL 9 Ca 0.04 -1.44 -0.22 0.00 0.00 0.00 0.00 61.98 60.36 1aps s VAL 9 Cb -0.15 -2.94 0.08 0.00 0.00 0.00 0.00 36.38 33.38 1aps s VAL 9 CO 0.02 -0.24 1.01 -0.62 0.00 0.00 0.00 175.10 175.28 1aps s ASP 10 N 1.41 6.29 0.17 3.32 -1.08 0.48 -1.38 116.67 125.88 1aps s ASP 10 Ca -0.02 -1.26 -0.05 0.00 -0.52 0.00 0.00 52.55 50.71 1aps s ASP 10 Cb -0.20 -2.42 -0.06 0.00 -1.46 0.00 0.00 42.92 38.78 1aps s ASP 10 CO -0.01 -1.35 0.41 -0.72 0.52 0.00 0.00 175.17 174.02 1aps s TYR 11 N 3.76 3.47 -0.35 -5.34 1.13 -1.22 -2.86 117.35 115.93 1aps s TYR 11 Ca 0.25 0.59 0.01 0.00 -1.41 0.00 0.00 57.07 56.51 1aps s TYR 11 Cb -0.14 -2.03 0.11 0.00 -1.10 0.00 0.00 41.96 38.80 1aps s TYR 11 CO 0.05 0.39 0.12 -1.21 -2.51 0.00 0.00 175.55 172.39 1aps s GLU 12 N -2.79 1.09 0.05 -3.49 8.01 -0.15 -3.86 118.70 117.55 1aps s GLU 12 Ca 0.42 -1.54 -0.31 0.00 0.01 0.00 0.00 54.97 53.55 1aps s GLU 12 Cb -0.12 -2.44 -0.07 0.00 -4.31 0.00 0.00 34.13 27.19 1aps s GLU 12 CO 0.25 -1.02 1.46 0.08 0.01 0.00 0.00 175.26 176.04 1aps s VAL 13 N 1.09 3.42 -0.03 2.63 1.01 -0.69 -0.77 120.40 127.07 1aps s VAL 13 Ca 0.12 0.90 0.04 0.00 0.00 0.00 0.00 61.98 63.04 1aps s VAL 13 Cb -0.20 -3.58 -0.00 0.00 0.00 0.00 0.00 36.38 32.60 1aps s VAL 13 CO -0.14 0.02 -0.15 -0.36 0.00 0.00 0.00 175.10 174.47 1aps s PHE 14 N 2.07 1.45 -0.24 5.22 0.08 -1.09 -4.19 117.98 121.27 1aps s PHE 14 Ca 0.66 -0.36 -0.08 0.00 0.12 0.00 0.00 56.93 57.28 1aps s PHE 14 Cb -0.35 -0.97 -0.03 0.00 -0.57 0.00 0.00 43.02 41.10 1aps s PHE 14 CO 0.29 -0.10 0.08 0.20 -0.10 0.00 0.00 175.22 175.58 1aps s GLY 15 N -0.07 1.79 0.32 4.36 0.00 -1.26 -4.18 107.32 108.27 1aps s GLY 15 Ca -0.00 -1.09 0.10 0.00 0.00 0.00 0.00 44.72 43.73 1aps s GLY 15 CO 0.01 0.49 1.47 0.54 0.00 0.00 0.00 173.10 175.61 1aps n ARG 16 N 4.78 -0.07 -4.60 2.90 5.12 -0.60 -4.20 116.66 119.99 1aps n ARG 16 Ca -0.16 1.35 -0.28 0.00 -1.93 0.00 0.00 57.85 56.83 1aps n ARG 16 Cb 0.52 -2.27 -0.14 0.00 -1.16 0.00 0.00 32.46 29.41 1aps n ARG 16 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1aps s VAL 17 N -5.69 2.00 1.11 1.55 0.11 -0.93 -5.05 120.40 113.50 1aps s VAL 17 Ca -0.10 -1.48 -0.18 0.00 -2.93 0.00 0.00 61.98 57.29 1aps s VAL 17 Cb 0.29 -1.75 0.12 0.00 -1.53 0.00 0.00 36.38 33.51 1aps s VAL 17 CO 0.73 0.18 0.13 0.00 -3.33 0.00 0.00 175.10 172.82 1aps n GLN 18 N 1.43 -1.55 0.00 1.54 1.13 -1.26 -4.41 117.38 114.26 1aps n GLN 18 Ca -0.18 -0.43 0.00 0.00 -1.94 0.00 0.00 57.00 54.45 1aps n GLN 18 Cb 0.53 -1.76 0.00 0.00 0.11 0.00 0.00 30.24 29.12 1aps n GLN 18 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1aps n GLY 19 N 1.88 2.38 5.09 1.08 0.00 -1.26 -4.56 105.19 109.79 1aps n GLY 19 Ca 0.01 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 0.00 0.00 -4.22 1.61 0.31 -1.26 -3.90 118.33 110.86 1aps n VAL 20 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.97 1aps n VAL 20 Cb 0.00 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.87 1aps n VAL 20 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1aps h PHE 22 N -0.94 0.00 0.00 0.00 3.04 -1.81 -3.33 116.94 113.90 1aps h PHE 22 Ca -0.53 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.42 1aps h PHE 22 Cb 1.35 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.86 1aps h PHE 22 CO 0.71 0.12 0.00 0.54 -2.02 0.00 0.00 178.31 177.66 1aps n ARG 23 N -4.09 0.00 -0.34 1.11 5.12 -1.26 -0.63 116.66 116.56 1aps n ARG 23 Ca -0.02 0.04 -0.03 0.00 -1.93 0.00 0.00 57.85 55.90 1aps n ARG 23 Cb 0.20 -0.07 0.09 0.00 -1.16 0.00 0.00 32.46 31.52 1aps n ARG 23 CO 0.00 0.00 0.00 0.52 -1.93 0.00 0.00 177.63 176.22 1aps h MET 24 N 0.00 1.23 -0.26 5.56 2.86 -1.99 -1.81 114.93 120.52 1aps h MET 24 Ca 0.00 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 1aps h MET 24 Cb 0.00 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.39 1aps h MET 24 CO 0.00 0.85 0.11 -0.92 1.06 0.00 0.00 176.91 178.01 1aps h TYR 25 N 1.25 0.38 -0.09 -0.22 3.20 -1.56 -1.02 116.97 118.91 1aps h TYR 25 Ca 0.33 -0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.21 1aps h TYR 25 Cb -0.07 -0.12 -0.06 0.00 1.54 0.00 0.00 36.73 38.02 1aps h TYR 25 CO 0.00 0.38 -0.40 0.00 -1.64 0.00 0.00 178.16 176.50 1aps h ALA 26 N 0.96 -0.58 0.15 1.82 0.00 -0.51 -0.37 119.26 120.73 1aps h ALA 26 Ca 0.09 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1aps h ALA 26 Cb 0.16 0.75 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 1aps h ALA 26 CO -0.01 -0.91 -0.53 1.49 0.00 0.00 0.00 179.25 179.28 1aps h GLU 27 N -0.50 -0.75 0.32 0.00 4.81 -1.13 0.10 114.58 117.42 1aps h GLU 27 Ca 0.07 0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 1aps h GLU 27 Cb 0.62 0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.18 1aps h GLU 27 CO -0.37 -0.50 -0.15 0.22 -0.73 0.00 0.00 179.01 177.48 1aps h ASP 28 N -0.78 -0.36 -0.53 1.04 3.58 -1.02 -2.27 116.42 116.07 1aps h ASP 28 Ca -0.01 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.36 1aps h ASP 28 Cb 0.78 0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.90 1aps h ASP 28 CO -0.27 -0.25 0.03 -0.08 -2.88 0.00 0.00 179.24 175.79 1aps h GLU 29 N -0.44 0.96 -0.40 0.28 4.57 -0.91 -2.80 114.58 115.84 1aps h GLU 29 Ca -0.04 -0.27 0.05 0.00 -1.18 0.00 0.00 59.36 57.92 1aps h GLU 29 Cb 0.33 -0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 28.77 1aps h GLU 29 CO 0.07 0.93 0.12 0.00 -1.18 0.00 0.00 179.01 178.95 1aps h ALA 30 N 1.13 0.46 -0.39 2.92 0.00 -0.53 -0.28 119.26 122.57 1aps h ALA 30 Ca 0.17 0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.22 1aps h ALA 30 Cb 0.48 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.25 1aps h ALA 30 CO 0.02 -0.27 -0.09 0.00 0.00 0.00 0.00 179.25 178.91 1aps h ARG 31 N 0.27 0.01 0.16 0.00 3.08 -1.17 0.59 114.38 117.32 1aps h ARG 31 Ca 0.19 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 1aps h ARG 31 Cb 0.20 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1aps h ARG 31 CO -0.21 0.01 -0.08 0.87 -1.07 0.00 0.00 179.97 179.48 1aps h LYS 32 N 0.01 -0.21 0.00 0.04 1.57 -1.14 -2.86 116.57 113.98 1aps h LYS 32 Ca 0.19 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.94 1aps h LYS 32 Cb 0.29 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1aps h LYS 32 CO -0.40 -0.10 -0.22 0.82 -0.57 0.00 0.00 179.45 178.98 1aps h ILE 33 N -0.27 0.73 -0.68 1.86 1.08 -0.83 -3.47 117.51 115.93 1aps h ILE 33 Ca -0.02 -0.93 0.00 0.00 -0.39 0.00 0.00 64.86 63.52 1aps h ILE 33 Cb 0.21 1.58 0.00 0.00 -3.07 0.00 0.00 36.82 35.54 1aps h ILE 33 CO 0.04 0.22 0.00 0.61 -0.69 0.00 0.00 178.15 178.32 1aps n GLY 34 N -0.33 0.65 3.41 5.37 0.00 -0.62 -4.91 105.19 108.75 1aps n GLY 34 Ca -0.01 -0.34 -0.32 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.85 2.64 0.37 1.61 1.01 0.10 -4.57 120.40 119.72 1aps s VAL 35 Ca 0.00 -0.89 0.09 0.00 0.00 0.00 0.00 61.98 61.17 1aps s VAL 35 Cb 0.00 -1.99 -0.07 0.00 0.00 0.00 0.00 36.38 34.32 1aps s VAL 35 CO 0.00 0.58 -0.06 0.68 0.00 0.00 0.00 175.10 176.30 1aps s VAL 36 N -0.69 2.16 0.00 2.92 -7.23 0.27 -3.42 120.40 114.40 1aps s VAL 36 Ca 0.11 -2.13 0.00 0.00 -1.81 0.00 0.00 61.98 58.15 1aps s VAL 36 Cb -0.10 -2.77 0.00 0.00 0.56 0.00 0.00 36.38 34.06 1aps s VAL 36 CO -0.00 -0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.27 1aps n GLY 37 N -0.86 0.48 3.52 2.32 0.00 -0.95 -0.74 105.19 108.97 1aps n GLY 37 Ca -0.05 -1.20 -0.16 0.00 0.00 0.00 0.00 46.02 44.61 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 -1.92 -0.58 -0.07 1.61 1.48 -1.10 -0.72 118.94 117.63 1aps s TRP 38 Ca 0.00 0.94 0.03 0.00 -1.06 0.00 0.00 56.10 56.00 1aps s TRP 38 Cb 0.00 0.43 -0.02 0.00 -1.16 0.00 0.00 33.47 32.72 1aps s TRP 38 CO 0.00 -0.57 -0.15 0.54 -4.06 0.00 0.00 176.95 172.71 1aps s VAL 39 N -1.43 2.92 -0.17 -0.66 0.11 -0.93 -0.79 120.40 119.46 1aps s VAL 39 Ca -0.08 -0.75 0.00 0.00 -2.93 0.00 0.00 61.98 58.22 1aps s VAL 39 Cb -0.00 -2.16 0.00 0.00 -1.53 0.00 0.00 36.38 32.69 1aps s VAL 39 CO 0.06 0.57 -0.16 -0.75 -3.33 0.00 0.00 175.10 171.49 1aps s LYS 40 N -0.33 3.16 -0.16 1.54 2.20 -0.08 -0.76 119.74 125.30 1aps s LYS 40 Ca 0.03 -0.76 -0.29 0.00 -0.36 0.00 0.00 55.97 54.59 1aps s LYS 40 Cb -0.13 -2.64 -0.05 0.00 -1.51 0.00 0.00 37.83 33.50 1aps s LYS 40 CO 0.02 -0.07 1.86 -0.80 -0.36 0.00 0.00 175.35 176.00 1aps s ASN 41 N 1.02 6.14 0.00 1.43 0.01 -0.77 -1.76 114.94 121.02 1aps s ASN 41 Ca -0.01 1.93 0.00 0.00 -0.71 0.00 0.00 52.86 54.07 1aps s ASN 41 Cb -0.15 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 38.99 1aps s ASN 41 CO -0.04 -1.41 0.00 0.41 -1.51 0.00 0.00 177.10 174.56 1aps n THR 42 N 6.58 0.00 -3.67 1.60 -1.04 -0.87 -4.91 114.28 111.97 1aps n THR 42 Ca 0.22 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.84 1aps n THR 42 Cb 0.44 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.84 1aps n THR 42 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1aps s SER 43 N -0.60 5.52 -0.27 8.00 0.01 -1.26 -4.77 113.70 120.33 1aps s SER 43 Ca 0.00 -1.22 -0.12 0.00 1.31 0.00 0.00 55.95 55.92 1aps s SER 43 Cb 0.00 -1.94 0.02 0.00 0.21 0.00 0.00 66.02 64.30 1aps s SER 43 CO 0.00 -0.41 0.26 0.29 0.41 0.00 0.00 173.24 173.79 1aps n LYS 44 N 4.89 -1.98 0.00 12.44 4.76 -1.26 -3.27 118.16 133.74 1aps n LYS 44 Ca -0.11 1.77 0.00 0.00 -2.87 0.00 0.00 58.31 57.09 1aps n LYS 44 Cb 0.44 -3.41 0.00 0.00 -1.84 0.00 0.00 35.03 30.22 1aps n LYS 44 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1aps n GLY 45 N 0.50 1.72 3.74 0.72 0.00 -1.25 -4.69 105.19 105.93 1aps n GLY 45 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1aps n GLY 45 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1aps n THR 46 N 0.00 4.22 -4.02 2.61 -2.24 -1.20 -2.60 114.28 111.05 1aps n THR 46 Ca 0.00 -0.50 -0.22 0.00 -2.27 0.00 0.00 64.05 61.06 1aps n THR 46 Cb 0.00 -1.61 -0.17 0.00 -2.10 0.00 0.00 70.33 66.45 1aps n THR 46 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1aps s VAL 47 N -1.32 0.60 0.14 2.28 -7.23 -1.26 -2.05 120.40 111.57 1aps s VAL 47 Ca 0.75 -0.09 -0.00 0.00 -1.81 0.00 0.00 61.98 60.83 1aps s VAL 47 Cb -0.40 -0.66 0.03 0.00 0.56 0.00 0.00 36.38 35.91 1aps s VAL 47 CO 0.46 0.27 0.20 1.07 -0.31 0.00 0.00 175.10 176.79 1aps n THR 48 N 4.54 0.00 0.00 5.32 5.66 -0.72 -1.70 114.28 127.38 1aps n THR 48 Ca -0.17 -0.31 0.00 0.00 -3.05 0.00 0.00 64.05 60.52 1aps n THR 48 Cb 0.50 -1.29 0.00 0.00 -1.55 0.00 0.00 70.33 67.99 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 3.48 0.64 2.82 1.09 0.00 -1.25 -0.90 105.19 111.07 1aps n GLY 49 Ca 0.03 -1.99 -0.29 0.00 0.00 0.00 0.00 46.02 43.78 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 -0.95 1.04 -0.66 1.61 -1.52 0.03 -3.44 119.66 115.76 1aps s GLN 50 Ca 0.00 -0.68 -0.19 0.00 -1.95 0.00 0.00 55.36 52.55 1aps s GLN 50 Cb 0.00 -2.30 0.12 0.00 -0.22 0.00 0.00 33.01 30.61 1aps s GLN 50 CO 0.00 -0.64 0.78 0.08 -0.25 0.00 0.00 175.29 175.26 1aps s VAL 51 N 1.66 4.87 -0.43 1.09 1.01 -0.48 -2.73 120.40 125.39 1aps s VAL 51 Ca -0.02 -1.20 -0.15 0.00 0.00 0.00 0.00 61.98 60.61 1aps s VAL 51 Cb -0.18 -4.54 0.05 0.00 0.00 0.00 0.00 36.38 31.71 1aps s VAL 51 CO -0.08 -1.18 0.33 -1.10 0.00 0.00 0.00 175.10 173.07 1aps s GLN 52 N 2.48 2.94 0.05 2.72 -0.21 0.08 -0.51 119.66 127.21 1aps s GLN 52 Ca 0.15 -1.19 0.03 0.00 0.02 0.00 0.00 55.36 54.37 1aps s GLN 52 Cb -0.20 -4.01 -0.03 0.00 1.00 0.00 0.00 33.01 29.77 1aps s GLN 52 CO 0.03 -0.88 -0.09 0.20 -2.12 0.00 0.00 175.29 172.43 1aps s GLY 53 N 2.08 0.58 0.58 3.09 0.00 -0.17 -0.57 107.32 112.91 1aps s GLY 53 Ca 0.04 -0.85 -0.17 0.00 0.00 0.00 0.00 44.72 43.74 1aps s GLY 53 CO 0.08 -0.90 1.07 2.56 0.00 0.00 0.00 173.10 175.91 1aps s PRO 54 N -1.80 3.33 0.29 2.90 0.04 -1.26 -1.18 135.00 137.31 1aps s PRO 54 Ca -0.07 1.33 -0.05 0.00 0.04 0.00 0.00 61.00 62.25 1aps s PRO 54 Cb -0.09 -2.03 0.54 0.00 0.04 0.00 0.00 34.50 32.97 1aps s PRO 54 CO 0.00 -0.82 1.55 0.39 0.04 0.00 0.00 177.00 178.16 1aps n GLU 55 N -1.78 -0.09 0.32 4.56 1.02 -1.26 -1.22 120.64 122.19 1aps n GLU 55 Ca 0.10 1.53 -0.13 0.00 -0.02 0.00 0.00 57.16 58.64 1aps n GLU 55 Cb 0.52 -2.33 -0.06 0.00 -0.02 0.00 0.00 31.44 29.56 1aps n GLU 55 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1aps h GLU 56 N 0.00 -0.79 -0.17 3.49 4.22 -1.96 -3.28 114.58 116.09 1aps h GLU 56 Ca 0.51 0.05 0.01 0.00 0.08 0.00 0.00 59.36 60.02 1aps h GLU 56 Cb 0.87 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1aps h GLU 56 CO -1.00 -0.52 0.12 0.87 -2.18 0.00 0.00 179.01 176.29 1aps h LYS 57 N -0.93 0.17 -0.74 1.92 1.57 -1.74 -2.99 116.57 113.84 1aps h LYS 57 Ca -0.08 -0.01 0.11 0.00 -1.87 0.00 0.00 60.65 58.79 1aps h LYS 57 Cb 0.63 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.85 1aps h LYS 57 CO 0.14 0.12 0.49 -0.24 -0.57 0.00 0.00 179.45 179.38 1aps h VAL 58 N 0.18 0.90 -0.93 0.50 3.04 -1.22 -1.61 116.25 117.10 1aps h VAL 58 Ca 0.07 -0.20 0.13 0.00 -1.01 0.00 0.00 66.70 65.69 1aps h VAL 58 Cb 0.06 0.26 -0.09 0.00 -2.01 0.00 0.00 31.29 29.51 1aps h VAL 58 CO -0.01 0.11 0.55 -0.55 -1.01 0.00 0.00 177.57 176.66 1aps h ASN 59 N 0.58 0.76 0.28 3.17 7.08 -1.66 -2.03 115.58 123.77 1aps h ASN 59 Ca 0.35 0.07 -0.01 0.00 -3.08 0.00 0.00 56.30 53.62 1aps h ASN 59 Cb 0.56 -0.08 0.00 0.00 -2.08 0.00 0.00 38.32 36.72 1aps h ASN 59 CO -0.12 0.37 -0.13 -1.28 -2.08 0.00 0.00 177.43 174.19 1aps h SER 60 N 0.83 -0.31 -0.74 6.14 0.87 -1.51 -3.13 113.55 115.69 1aps h SER 60 Ca 0.48 -0.20 0.05 0.00 -1.23 0.00 0.00 61.79 60.89 1aps h SER 60 Cb 0.57 0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.57 1aps h SER 60 CO -0.31 0.07 0.49 0.00 -0.53 0.00 0.00 176.83 176.55 1aps h MET 61 N -0.75 0.82 0.21 2.24 -0.00 -1.41 -1.92 114.93 114.12 1aps h MET 61 Ca -0.04 -0.05 0.00 0.00 -0.00 0.00 0.00 59.70 59.62 1aps h MET 61 Cb 0.50 -0.18 -0.03 0.00 -0.00 0.00 0.00 31.60 31.88 1aps h MET 61 CO 0.06 0.54 -0.44 0.87 -0.00 0.00 0.00 176.91 177.94 1aps h LYS 62 N 0.84 -0.68 -0.76 -0.10 1.57 -1.43 -1.40 116.57 114.61 1aps h LYS 62 Ca 0.31 0.05 0.11 0.00 -1.87 0.00 0.00 60.65 59.24 1aps h LYS 62 Cb 0.16 0.16 -0.08 0.00 0.08 0.00 0.00 32.23 32.55 1aps h LYS 62 CO -0.10 -0.46 0.38 0.77 -0.57 0.00 0.00 179.45 179.48 1aps h SER 63 N -0.71 0.49 0.27 0.86 0.02 -1.33 -2.41 113.55 110.75 1aps h SER 63 Ca -0.02 0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1aps h SER 63 Cb 0.67 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 1aps h SER 63 CO -0.18 0.26 -0.21 -0.25 -1.14 0.00 0.00 176.83 175.31 1aps h TRP 64 N 0.62 -0.56 -0.81 3.45 7.01 -1.13 0.12 115.95 124.66 1aps h TRP 64 Ca 0.38 -0.00 0.23 0.00 2.11 0.00 0.00 58.89 61.62 1aps h TRP 64 Cb 0.44 0.21 -0.03 0.00 -2.10 0.00 0.00 29.16 27.68 1aps h TRP 64 CO -0.10 -0.32 0.60 -0.07 -2.79 0.00 0.00 178.44 175.75 1aps h LEU 65 N -0.50 0.00 0.00 0.65 3.38 -0.74 0.17 115.31 118.27 1aps h LEU 65 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1aps h LEU 65 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1aps h LEU 65 CO -0.01 0.00 -0.00 0.28 0.09 0.00 0.00 178.44 178.80 1aps h SER 66 N 0.00 0.00 0.25 -0.43 0.02 -1.39 -3.43 113.55 108.57 1aps h SER 66 Ca 0.38 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.30 1aps h SER 66 Cb 1.58 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.11 1aps h SER 66 CO -0.00 0.00 -0.14 0.11 -1.14 0.00 0.00 176.83 175.66 1aps h LYS 67 N -0.01 0.00 0.00 3.45 1.57 -0.37 -0.86 116.57 120.36 1aps h LYS 67 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1aps h LYS 67 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1aps h LYS 67 CO 0.00 0.14 0.00 1.55 -0.57 0.00 0.00 179.45 180.57 1aps n VAL 68 N -3.96 0.00 0.00 0.50 3.14 0.56 -4.79 118.33 113.78 1aps n VAL 68 Ca -0.02 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.36 1aps n VAL 68 Cb 0.23 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.01 1aps n VAL 68 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1aps n GLY 69 N 0.00 1.11 0.14 7.55 0.00 -1.26 -4.85 105.19 107.88 1aps n GLY 69 Ca 0.00 -1.06 -0.03 0.00 0.00 0.00 0.00 46.02 44.93 1aps n GLY 69 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1aps h SER 70 N 0.00 0.09 -1.68 1.61 4.64 -1.99 -3.44 113.55 112.78 1aps h SER 70 Ca 0.00 -0.06 -0.62 0.00 -0.47 0.00 0.00 61.79 60.64 1aps h SER 70 Cb 0.00 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 1aps h SER 70 CO 0.00 0.73 1.47 -2.65 -0.87 0.00 0.00 176.83 175.52 1aps n PRO 71 N -3.77 1.66 -0.54 4.77 -0.02 -1.26 -4.83 135.00 131.00 1aps n PRO 71 Ca -0.02 0.45 0.45 0.00 -2.02 0.00 0.00 63.50 62.36 1aps n PRO 71 Cb 0.66 -2.98 0.78 0.00 -0.02 0.00 0.00 33.50 31.93 1aps n PRO 71 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1aps h SER 72 N 14.26 0.04 -0.41 2.55 0.02 -1.94 0.03 113.55 128.09 1aps h SER 72 Ca -0.36 0.02 0.12 0.00 -0.84 0.00 0.00 61.79 60.72 1aps h SER 72 Cb 1.27 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.81 1aps h SER 72 CO 0.98 -0.02 0.61 0.28 -1.14 0.00 0.00 176.83 177.54 1aps h SER 73 N 0.02 0.00 0.00 3.07 0.02 -1.80 -3.45 113.55 111.40 1aps h SER 73 Ca 0.80 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.75 1aps h SER 73 Cb 3.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 65.64 1aps h SER 73 CO -0.06 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.17 1aps n ARG 74 N -3.35 0.00 0.00 3.45 1.74 -0.00 -1.56 116.66 116.94 1aps n ARG 74 Ca 0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 1aps n ARG 74 Cb 0.77 -0.46 0.00 0.00 -1.02 0.00 0.00 32.46 31.75 1aps n ARG 74 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1aps n ILE 75 N 0.00 0.00 0.00 0.55 -0.00 -1.26 -4.68 119.36 113.96 1aps n ILE 75 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 1aps n ILE 75 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.64 1aps n ILE 75 CO 0.00 0.00 0.00 -0.90 -0.00 0.00 0.00 176.55 175.65 1aps n ASP 76 N 1.72 0.00 -4.17 4.38 5.68 -0.33 -3.69 116.55 120.14 1aps n ASP 76 Ca 0.00 0.00 -0.38 0.00 -0.50 0.00 0.00 54.79 53.91 1aps n ASP 76 Cb 0.00 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 39.87 1aps n ASP 76 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 1aps s ARG 77 N 0.00 2.26 -0.13 0.11 3.52 -1.26 -4.50 118.95 118.95 1aps s ARG 77 Ca 0.00 -1.70 0.02 0.00 -0.13 0.00 0.00 55.73 53.92 1aps s ARG 77 Cb 0.00 -3.67 -0.00 0.00 -1.56 0.00 0.00 34.95 29.72 1aps s ARG 77 CO 0.00 -1.04 -0.20 0.99 -0.81 0.00 0.00 175.30 174.24 1aps s THR 78 N 1.25 2.36 -1.18 4.11 2.01 -1.26 -2.69 115.64 120.25 1aps s THR 78 Ca 0.06 -0.89 -0.19 0.00 0.31 0.00 0.00 61.69 60.98 1aps s THR 78 Cb -0.23 -1.95 0.09 0.00 0.01 0.00 0.00 72.50 70.41 1aps s THR 78 CO -0.02 0.54 1.55 0.20 -0.69 0.00 0.00 174.62 176.20 1aps s ASN 79 N 0.55 6.78 0.00 3.53 0.02 0.05 -4.84 114.94 121.03 1aps s ASN 79 Ca -0.12 -2.26 0.00 0.00 -1.02 0.00 0.00 52.86 49.46 1aps s ASN 79 Cb -0.16 -2.53 0.00 0.00 0.02 0.00 0.00 41.25 38.58 1aps s ASN 79 CO 0.04 -1.17 1.09 0.49 0.02 0.00 0.00 177.10 177.58 1aps n PHE 80 N 7.83 0.00 -0.15 2.20 3.72 -1.26 -0.97 117.46 128.82 1aps n PHE 80 Ca 0.40 -0.55 0.02 0.00 -0.05 0.00 0.00 57.45 57.28 1aps n PHE 80 Cb 0.47 -0.36 0.31 0.00 -0.94 0.00 0.00 39.48 38.96 1aps n PHE 80 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1aps h SER 81 N 1.85 0.73 -4.10 4.37 0.02 -1.87 -3.24 113.55 111.33 1aps h SER 81 Ca 0.00 -0.02 -0.67 0.00 -0.84 0.00 0.00 61.79 60.27 1aps h SER 81 Cb 0.61 -0.18 -0.38 0.00 0.14 0.00 0.00 62.40 62.59 1aps h SER 81 CO 0.00 0.53 -0.47 0.21 -1.14 0.00 0.00 176.83 175.96 1aps s ASN 82 N -6.44 4.87 -0.56 3.07 3.84 -1.13 -5.03 114.94 113.56 1aps s ASN 82 Ca -0.10 -3.10 -0.20 0.00 0.21 0.00 0.00 52.86 49.67 1aps s ASN 82 Cb 0.18 -1.75 0.07 0.00 -0.55 0.00 0.00 41.25 39.20 1aps s ASN 82 CO 0.77 -0.27 0.72 -0.70 -2.79 0.00 0.00 177.10 174.83 1aps s GLU 83 N -0.41 3.11 -0.24 0.43 2.12 -1.22 -0.38 118.70 122.10 1aps s GLU 83 Ca 0.19 -0.98 -0.06 0.00 0.36 0.00 0.00 54.97 54.48 1aps s GLU 83 Cb -0.20 -4.17 -0.02 0.00 0.26 0.00 0.00 34.13 30.00 1aps s GLU 83 CO -0.04 -1.43 0.02 0.21 -0.54 0.00 0.00 175.26 173.48 1aps s LYS 84 N 2.94 3.54 -0.93 4.30 2.20 0.88 -4.84 119.74 127.84 1aps s LYS 84 Ca 0.16 -0.54 -0.23 0.00 -0.36 0.00 0.00 55.97 55.01 1aps s LYS 84 Cb -0.20 -3.20 0.07 0.00 -1.51 0.00 0.00 37.83 32.99 1aps s LYS 84 CO 0.10 -0.19 1.32 0.95 -0.36 0.00 0.00 175.35 177.16 1aps s THR 85 N 1.56 4.11 0.24 3.43 -4.23 -1.26 -0.45 115.64 119.04 1aps s THR 85 Ca 0.06 -0.75 -0.29 0.00 -1.18 0.00 0.00 61.69 59.53 1aps s THR 85 Cb -0.15 -4.95 -0.09 0.00 1.34 0.00 0.00 72.50 68.66 1aps s THR 85 CO 0.01 -1.79 0.91 0.27 -0.54 0.00 0.00 174.62 173.48 1aps s ILE 86 N 4.49 4.13 -1.02 2.99 -4.36 0.22 -1.75 121.20 125.89 1aps s ILE 86 Ca 0.40 2.00 -0.23 0.00 -0.26 0.00 0.00 60.65 62.56 1aps s ILE 86 Cb -0.03 -4.27 -0.02 0.00 1.25 0.00 0.00 42.46 39.39 1aps s ILE 86 CO -0.05 0.47 1.80 -0.44 0.24 0.00 0.00 174.94 176.96 1aps s SER 87 N -1.22 5.63 0.22 4.36 0.01 -1.26 -3.84 113.70 117.60 1aps s SER 87 Ca 0.41 -1.21 0.00 0.00 1.31 0.00 0.00 55.95 56.46 1aps s SER 87 Cb -0.25 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.41 1aps s SER 87 CO 0.30 -2.34 0.00 0.29 0.41 0.00 0.00 173.24 171.90 1aps n LYS 88 N 8.72 -1.30 -2.37 12.44 4.76 -1.26 -4.80 118.16 134.35 1aps n LYS 88 Ca 0.40 1.04 -0.43 0.00 -2.87 0.00 0.00 58.31 56.45 1aps n LYS 88 Cb 0.48 -1.41 -0.02 0.00 -1.84 0.00 0.00 35.03 32.24 1aps n LYS 88 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1aps s LEU 89 N -4.68 3.65 -0.03 -0.35 1.43 -1.26 -4.91 118.68 112.53 1aps s LEU 89 Ca 0.00 0.90 0.07 0.00 -1.03 0.00 0.00 54.13 54.07 1aps s LEU 89 Cb 0.00 -3.54 0.24 0.00 0.03 0.00 0.00 46.19 42.92 1aps s LEU 89 CO 0.00 -1.35 1.09 -0.62 0.23 0.00 0.00 176.35 175.70 1aps n GLU 90 N 7.91 1.85 -3.79 1.70 1.02 -1.26 -4.82 120.64 123.24 1aps n GLU 90 Ca 0.16 -0.96 -0.11 0.00 -0.02 0.00 0.00 57.16 56.23 1aps n GLU 90 Cb 0.48 -1.40 -0.08 0.00 -0.02 0.00 0.00 31.44 30.42 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 -1.64 -0.03 0.05 -0.32 2.02 -1.26 -5.01 117.35 111.16 1aps s TYR 91 Ca 0.17 -0.16 -0.21 0.00 -0.37 0.00 0.00 57.07 56.51 1aps s TYR 91 Cb 0.11 0.04 -0.13 0.00 -0.40 0.00 0.00 41.96 41.57 1aps s TYR 91 CO 0.09 -0.48 1.39 0.66 -1.57 0.00 0.00 175.55 175.64 1aps h SER 92 N 3.28 0.34 -5.12 2.29 4.64 -1.92 -3.44 113.55 113.62 1aps h SER 92 Ca -0.32 -0.43 -0.02 0.00 -0.47 0.00 0.00 61.79 60.55 1aps h SER 92 Cb 1.20 -0.09 -0.05 0.00 -0.31 0.00 0.00 62.40 63.14 1aps h SER 92 CO 0.47 0.69 0.10 0.21 -0.87 0.00 0.00 176.83 177.44 1aps s ASN 93 N -6.01 -0.03 -0.80 4.97 3.84 -1.26 -4.90 114.94 110.76 1aps s ASN 93 Ca -0.14 -0.91 -0.25 0.00 0.21 0.00 0.00 52.86 51.76 1aps s ASN 93 Cb 0.05 0.71 -0.01 0.00 -0.55 0.00 0.00 41.25 41.46 1aps s ASN 93 CO 0.74 -1.37 1.74 0.12 -2.79 0.00 0.00 177.10 175.54 1aps s PHE 94 N -3.48 1.94 0.43 0.43 5.36 -1.22 -2.23 117.98 119.21 1aps s PHE 94 Ca 0.17 0.35 -0.25 0.00 -0.96 0.00 0.00 56.93 56.24 1aps s PHE 94 Cb -0.04 -4.25 -0.08 0.00 -0.34 0.00 0.00 43.02 38.31 1aps s PHE 94 CO 0.10 -2.02 1.36 -1.12 -1.46 0.00 0.00 175.22 172.08 1aps s SER 95 N 6.93 6.05 0.43 6.13 0.01 0.10 -4.84 113.70 128.50 1aps s SER 95 Ca 0.60 2.79 -0.25 0.00 1.31 0.00 0.00 55.95 60.39 1aps s SER 95 Cb -0.08 -2.65 -0.08 0.00 0.21 0.00 0.00 66.02 63.42 1aps s SER 95 CO 0.08 -1.05 1.34 -0.69 0.41 0.00 0.00 173.24 173.34 1aps s VAL 96 N -1.24 2.41 0.00 3.43 1.01 -1.26 -2.19 120.40 122.56 1aps s VAL 96 Ca 0.60 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.93 1aps s VAL 96 Cb -0.41 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 32.77 1aps s VAL 96 CO 0.52 0.05 0.00 -2.11 0.00 0.00 0.00 175.10 173.56 1aps n ARG 97 N -0.10 0.00 0.00 2.72 1.85 -1.26 -4.71 116.66 115.17 1aps n ARG 97 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.90 1aps n ARG 97 Cb 0.43 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.84 1aps n ARG 97 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28