#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 1.27 0.00 6.66 1.35 -1.94 -1.84 112.91 118.41 1aps h THR 2 Ca 0.00 -1.27 -0.65 0.00 -0.55 0.00 0.00 66.41 63.94 1aps h THR 2 Cb 0.00 1.59 0.03 0.00 -1.73 0.00 0.00 68.15 68.03 1aps h THR 2 CO 0.00 0.37 2.54 0.00 -0.25 0.00 0.00 175.52 178.18 1aps n ALA 3 N -2.47 3.97 -3.70 6.62 0.00 -1.26 -4.57 120.51 119.10 1aps n ALA 3 Ca -0.01 -3.37 -0.14 0.00 0.00 0.00 0.00 53.44 49.92 1aps n ALA 3 Cb 0.40 -3.58 -0.14 0.00 0.00 0.00 0.00 19.45 16.14 1aps n ALA 3 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1aps s ARG 4 N 4.45 0.15 0.00 0.00 6.06 -1.26 -5.01 118.95 123.34 1aps s ARG 4 Ca 0.54 0.59 0.00 0.00 -2.50 0.00 0.00 55.73 54.36 1aps s ARG 4 Cb 0.14 -0.12 0.00 0.00 0.06 0.00 0.00 34.95 35.03 1aps s ARG 4 CO 0.06 -0.23 1.14 -0.35 -2.50 0.00 0.00 175.30 173.42 1aps n PRO 5 N 4.77 0.84 -3.80 5.12 -0.04 -1.26 -4.13 135.00 136.49 1aps n PRO 5 Ca -0.16 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 62.95 1aps n PRO 5 Cb 0.51 -1.08 -0.12 0.00 -0.04 0.00 0.00 33.50 32.77 1aps n PRO 5 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1aps s LEU 6 N 0.00 5.14 -0.36 1.53 1.02 -1.26 -0.95 118.68 123.79 1aps s LEU 6 Ca 0.00 -2.29 -0.14 0.00 0.02 0.00 0.00 54.13 51.71 1aps s LEU 6 Cb 0.00 -1.80 -0.00 0.00 0.02 0.00 0.00 46.19 44.41 1aps s LEU 6 CO 0.00 -0.47 0.31 -0.54 0.02 0.00 0.00 176.35 175.67 1aps s LYS 7 N 0.75 3.36 -0.48 1.70 1.02 0.37 -0.61 119.74 125.85 1aps s LYS 7 Ca 0.11 -0.68 -0.13 0.00 0.02 0.00 0.00 55.97 55.30 1aps s LYS 7 Cb -0.22 -3.86 0.11 0.00 -0.52 0.00 0.00 37.83 33.34 1aps s LYS 7 CO -0.04 -0.57 0.39 0.45 -0.92 0.00 0.00 175.35 174.65 1aps s SER 8 N 1.73 5.93 -0.01 2.83 0.15 0.36 -2.18 113.70 122.52 1aps s SER 8 Ca 0.08 -1.69 0.06 0.00 0.70 0.00 0.00 55.95 55.10 1aps s SER 8 Cb -0.17 -2.10 -0.03 0.00 -1.71 0.00 0.00 66.02 62.01 1aps s SER 8 CO 0.11 -0.71 -0.18 0.54 1.20 0.00 0.00 173.24 174.20 1aps s VAL 9 N 1.50 2.76 -0.26 4.45 0.11 -0.29 -0.18 120.40 128.48 1aps s VAL 9 Ca 0.04 -0.99 -0.11 0.00 -2.93 0.00 0.00 61.98 57.99 1aps s VAL 9 Cb -0.26 -2.09 -0.05 0.00 -1.53 0.00 0.00 36.38 32.44 1aps s VAL 9 CO 0.02 0.48 0.17 -0.62 -3.33 0.00 0.00 175.10 171.83 1aps s ASP 10 N -1.00 6.02 0.05 3.54 -1.08 -0.22 -1.28 116.67 122.70 1aps s ASP 10 Ca 0.13 0.02 0.01 0.00 -0.52 0.00 0.00 52.55 52.19 1aps s ASP 10 Cb -0.10 -2.11 -0.04 0.00 -1.46 0.00 0.00 42.92 39.21 1aps s ASP 10 CO 0.02 -0.01 0.13 -0.72 0.52 0.00 0.00 175.17 175.11 1aps s TYR 11 N 1.51 3.35 -0.55 -5.34 -0.85 -1.09 -1.12 117.35 113.26 1aps s TYR 11 Ca 0.07 0.18 0.04 0.00 -0.52 0.00 0.00 57.07 56.84 1aps s TYR 11 Cb -0.15 -1.71 0.15 0.00 0.38 0.00 0.00 41.96 40.63 1aps s TYR 11 CO 0.08 0.56 0.34 -1.21 -1.52 0.00 0.00 175.55 173.80 1aps s GLU 12 N -2.26 1.87 -0.47 -3.49 8.01 0.02 -3.87 118.70 118.51 1aps s GLU 12 Ca 0.30 -2.66 -0.29 0.00 0.01 0.00 0.00 54.97 52.33 1aps s GLU 12 Cb -0.12 -2.94 0.03 0.00 -4.31 0.00 0.00 34.13 26.78 1aps s GLU 12 CO 0.22 -1.20 1.11 0.08 0.01 0.00 0.00 175.26 175.48 1aps s VAL 13 N -0.48 4.25 -1.18 2.63 1.01 0.53 -2.39 120.40 124.77 1aps s VAL 13 Ca 0.21 1.19 -0.11 0.00 0.00 0.00 0.00 61.98 63.27 1aps s VAL 13 Cb -0.16 -4.58 0.22 0.00 0.00 0.00 0.00 36.38 31.86 1aps s VAL 13 CO -0.07 -0.96 1.40 0.49 0.00 0.00 0.00 175.10 175.96 1aps n PHE 14 N 7.71 4.55 -2.47 5.22 3.72 0.72 -1.58 117.46 135.33 1aps n PHE 14 Ca 0.11 -3.39 -0.33 0.00 -0.05 0.00 0.00 57.45 53.79 1aps n PHE 14 Cb 0.49 -1.92 0.01 0.00 -0.94 0.00 0.00 39.48 37.11 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 3.21 5.82 0.32 1.37 0.00 -1.26 -2.73 105.19 111.92 1aps n GLY 15 Ca 0.32 -2.66 0.01 0.00 0.00 0.00 0.00 46.02 43.69 1aps n GLY 15 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1aps h ARG 16 N 3.11 0.77 -2.28 1.61 3.08 -1.93 -3.02 114.38 115.72 1aps h ARG 16 Ca 0.38 -0.09 -0.33 0.00 0.07 0.00 0.00 59.98 60.02 1aps h ARG 16 Cb 0.46 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.32 1aps h ARG 16 CO 1.07 0.59 0.82 1.33 -1.07 0.00 0.00 179.97 182.70 1aps n VAL 17 N -4.38 3.39 0.00 2.04 0.24 -1.26 -4.94 118.33 113.42 1aps n VAL 17 Ca 0.05 -1.84 0.00 0.00 -2.04 0.00 0.00 64.34 60.51 1aps n VAL 17 Cb 0.11 -2.17 0.00 0.00 -1.47 0.00 0.00 33.84 30.32 1aps n VAL 17 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 1aps n GLN 18 N 2.77 0.00 0.00 7.34 7.27 -1.14 -4.85 117.38 128.77 1aps n GLN 18 Ca 0.53 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.60 1aps n GLN 18 Cb 0.72 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.37 1aps n GLN 18 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1aps n GLY 19 N 0.00 0.59 3.55 1.69 0.00 -1.26 -4.85 105.19 104.91 1aps n GLY 19 Ca 0.00 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1aps n GLY 19 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1aps s VAL 20 N 0.00 3.63 -1.02 1.61 -7.23 -1.26 -2.68 120.40 113.45 1aps s VAL 20 Ca 0.00 0.37 -0.02 0.00 -1.81 0.00 0.00 61.98 60.52 1aps s VAL 20 Cb 0.00 -4.64 0.31 0.00 0.56 0.00 0.00 36.38 32.62 1aps s VAL 20 CO 0.00 -1.58 1.60 0.00 -0.31 0.00 0.00 175.10 174.82 1aps h PHE 22 N 4.72 0.16 -0.63 0.00 3.04 -1.94 -2.77 116.94 119.51 1aps h PHE 22 Ca 0.36 0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.37 1aps h PHE 22 Cb 0.47 -0.05 -0.08 0.00 2.56 0.00 0.00 35.95 38.85 1aps h PHE 22 CO 1.15 0.06 -0.37 0.54 -2.02 0.00 0.00 178.31 177.67 1aps n ARG 23 N -4.40 -0.27 -0.30 1.11 5.12 -1.26 -1.32 116.66 115.34 1aps n ARG 23 Ca 0.13 0.96 0.09 0.00 -1.93 0.00 0.00 57.85 57.10 1aps n ARG 23 Cb 0.64 -1.41 0.31 0.00 -1.16 0.00 0.00 32.46 30.84 1aps n ARG 23 CO 0.00 0.00 0.00 1.98 -1.93 0.00 0.00 177.63 177.68 1aps h MET 24 N 0.00 0.82 0.12 5.56 4.05 -1.92 0.01 114.93 123.57 1aps h MET 24 Ca 0.11 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.47 1aps h MET 24 Cb 0.27 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 30.88 1aps h MET 24 CO -0.60 0.54 -0.06 1.88 0.23 0.00 0.00 176.91 178.91 1aps h TYR 25 N 0.84 -0.15 -0.89 1.39 -1.99 -1.43 0.12 116.97 114.87 1aps h TYR 25 Ca 0.45 -0.00 0.14 0.00 2.00 0.00 0.00 58.73 61.31 1aps h TYR 25 Cb 0.55 0.05 -0.07 0.00 2.00 0.00 0.00 36.73 39.25 1aps h TYR 25 CO -0.00 0.34 0.57 0.00 -0.00 0.00 0.00 178.16 179.08 1aps h ALA 26 N -0.17 1.80 -3.00 3.88 0.00 -0.72 0.42 119.26 121.48 1aps h ALA 26 Ca -0.02 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1aps h ALA 26 Cb 0.56 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1aps h ALA 26 CO 0.03 -0.04 0.00 0.39 0.00 0.00 0.00 179.25 179.63 1aps n GLU 27 N -4.56 0.00 0.41 0.00 4.71 -0.05 -4.03 120.64 117.11 1aps n GLU 27 Ca 0.17 0.00 -0.17 0.00 -0.01 0.00 0.00 57.16 57.16 1aps n GLU 27 Cb 0.45 -0.50 -0.08 0.00 -1.01 0.00 0.00 31.44 30.30 1aps n GLU 27 CO 0.00 0.00 0.00 0.22 0.09 0.00 0.00 177.13 177.44 1aps h ASP 28 N 0.00 -0.89 -0.41 1.62 3.58 -0.95 -2.53 116.42 116.83 1aps h ASP 28 Ca 0.00 0.02 -0.05 0.00 0.42 0.00 0.00 57.03 57.42 1aps h ASP 28 Cb 0.00 0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.27 1aps h ASP 28 CO 0.00 -0.54 0.06 -0.33 -2.88 0.00 0.00 179.24 175.56 1aps h GLU 29 N -1.25 0.69 -0.54 0.28 5.08 -1.23 -2.11 114.58 115.50 1aps h GLU 29 Ca -0.11 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.04 1aps h GLU 29 Cb 0.82 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 1aps h GLU 29 CO 0.18 0.73 0.22 0.00 -1.00 0.00 0.00 179.01 179.14 1aps h ALA 30 N 0.93 0.70 -0.02 3.43 0.00 -1.04 0.05 119.26 123.30 1aps h ALA 30 Ca 0.13 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1aps h ALA 30 Cb 0.38 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 1aps h ALA 30 CO 0.01 0.30 -0.34 -0.09 0.00 0.00 0.00 179.25 179.13 1aps h ARG 31 N 0.73 -0.47 -0.94 0.00 2.43 -1.29 0.18 114.38 115.03 1aps h ARG 31 Ca 0.18 0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.44 1aps h ARG 31 Cb 0.19 0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.78 1aps h ARG 31 CO -0.02 -0.31 0.60 -0.22 -1.51 0.00 0.00 179.97 178.51 1aps h LYS 32 N -0.48 1.08 0.00 0.20 3.64 -0.82 -1.26 116.57 118.93 1aps h LYS 32 Ca 0.06 -0.07 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 1aps h LYS 32 Cb 0.58 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 1aps h LYS 32 CO -0.29 0.72 -0.54 0.82 -2.27 0.00 0.00 179.45 177.88 1aps h ILE 33 N 1.11 1.37 -0.21 2.00 1.08 -0.79 -3.48 117.51 118.59 1aps h ILE 33 Ca 0.40 -1.87 0.00 0.00 -0.39 0.00 0.00 64.86 62.99 1aps h ILE 33 Cb 0.12 2.02 0.00 0.00 -3.07 0.00 0.00 36.82 35.89 1aps h ILE 33 CO -0.16 0.53 0.00 0.61 -0.69 0.00 0.00 178.15 178.44 1aps n GLY 34 N 0.07 1.07 3.59 5.37 0.00 -0.48 -4.85 105.19 109.96 1aps n GLY 34 Ca -0.01 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.21 3.68 0.16 1.61 1.01 0.56 -4.68 120.40 120.54 1aps s VAL 35 Ca 0.00 -0.58 0.08 0.00 0.00 0.00 0.00 61.98 61.48 1aps s VAL 35 Cb 0.00 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 1aps s VAL 35 CO 0.00 0.53 -0.16 -0.69 0.00 0.00 0.00 175.10 174.78 1aps s VAL 36 N -0.87 1.68 -4.54 2.92 1.01 0.20 -2.12 120.40 118.67 1aps s VAL 36 Ca 0.14 -1.94 0.00 0.00 0.00 0.00 0.00 61.98 60.18 1aps s VAL 36 Cb -0.11 -1.81 0.00 0.00 0.00 0.00 0.00 36.38 34.46 1aps s VAL 36 CO 0.04 -0.41 0.00 0.61 0.00 0.00 0.00 175.10 175.34 1aps n GLY 37 N 0.20 0.69 3.36 4.51 0.00 -0.53 -0.46 105.19 112.95 1aps n GLY 37 Ca -0.13 -1.61 -0.14 0.00 0.00 0.00 0.00 46.02 44.15 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 -3.78 -0.42 0.04 1.61 1.48 -0.28 -1.20 118.94 116.39 1aps s TRP 38 Ca 0.00 0.85 0.08 0.00 -1.06 0.00 0.00 56.10 55.97 1aps s TRP 38 Cb 0.00 0.20 -0.03 0.00 -1.16 0.00 0.00 33.47 32.48 1aps s TRP 38 CO 0.00 -0.39 -0.22 0.08 -4.06 0.00 0.00 176.95 172.36 1aps s VAL 39 N -0.72 2.48 -0.02 -0.66 1.01 -0.84 -0.96 120.40 120.69 1aps s VAL 39 Ca -0.08 -1.27 0.03 0.00 0.00 0.00 0.00 61.98 60.66 1aps s VAL 39 Cb -0.03 -2.00 -0.00 0.00 0.00 0.00 0.00 36.38 34.34 1aps s VAL 39 CO 0.04 0.36 -0.09 -0.75 0.00 0.00 0.00 175.10 174.67 1aps s LYS 40 N -1.31 0.87 -0.78 2.72 2.20 0.19 -0.94 119.74 122.69 1aps s LYS 40 Ca 0.13 -0.31 -0.17 0.00 -0.36 0.00 0.00 55.97 55.26 1aps s LYS 40 Cb -0.10 -0.83 0.15 0.00 -1.51 0.00 0.00 37.83 35.54 1aps s LYS 40 CO 0.03 0.15 0.86 0.54 -0.36 0.00 0.00 175.35 176.57 1aps s ASN 41 N 0.03 6.53 0.67 1.43 4.22 -1.26 0.04 114.94 126.61 1aps s ASN 41 Ca -0.00 -2.07 -0.11 0.00 -2.14 0.00 0.00 52.86 48.53 1aps s ASN 41 Cb -0.07 -2.30 0.00 0.00 1.28 0.00 0.00 41.25 40.17 1aps s ASN 41 CO 0.00 -0.91 1.06 0.28 -2.04 0.00 0.00 177.10 175.50 1aps s THR 42 N 1.79 3.80 0.41 0.54 -1.32 -0.61 -4.96 115.64 115.30 1aps s THR 42 Ca 0.20 0.54 0.14 0.00 -1.21 0.00 0.00 61.69 61.36 1aps s THR 42 Cb -0.13 -3.57 0.35 0.00 -1.51 0.00 0.00 72.50 67.64 1aps s THR 42 CO -0.04 -0.74 1.90 0.77 -2.21 0.00 0.00 174.62 174.30 1aps h SER 43 N -0.53 0.46 0.06 8.08 4.64 -1.97 0.45 113.55 124.73 1aps h SER 43 Ca -0.45 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1aps h SER 43 Cb 1.24 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1aps h SER 43 CO 0.63 0.23 0.00 0.29 -0.87 0.00 0.00 176.83 177.11 1aps n LYS 44 N -4.50 0.26 0.00 4.77 4.76 -1.26 -4.87 118.16 117.31 1aps n LYS 44 Ca 0.16 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.66 1aps n LYS 44 Cb 0.53 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.22 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 -0.40 2.53 3.64 0.72 0.00 0.15 -5.01 105.19 106.81 1aps n GLY 45 Ca 0.07 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 1aps n GLY 45 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1aps n THR 46 N 0.00 2.08 -3.04 2.61 -1.04 -1.26 -4.59 114.28 109.04 1aps n THR 46 Ca 0.00 -0.50 -0.44 0.00 -2.04 0.00 0.00 64.05 61.07 1aps n THR 46 Cb 0.00 -1.27 -0.05 0.00 -1.82 0.00 0.00 70.33 67.19 1aps n THR 46 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1aps s VAL 47 N -1.11 4.69 0.00 12.58 1.01 -0.62 -1.57 120.40 135.38 1aps s VAL 47 Ca 0.58 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.10 1aps s VAL 47 Cb -0.62 -4.45 0.00 0.00 0.00 0.00 0.00 36.38 31.31 1aps s VAL 47 CO 0.60 -1.04 0.00 1.07 0.00 0.00 0.00 175.10 175.73 1aps n THR 48 N 5.75 0.00 0.00 3.92 5.66 0.11 -0.34 114.28 129.37 1aps n THR 48 Ca -0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.95 1aps n THR 48 Cb 0.45 -0.51 0.00 0.00 -1.55 0.00 0.00 70.33 68.72 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 0.50 3.13 1.09 0.00 -1.25 -0.64 105.19 113.02 1aps n GLY 49 Ca 0.00 -2.29 -0.26 0.00 0.00 0.00 0.00 46.02 43.46 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 -0.46 1.88 -0.22 1.61 -0.21 -0.14 -2.65 119.66 119.47 1aps s GLN 50 Ca 0.00 -0.61 -0.00 0.00 0.02 0.00 0.00 55.36 54.77 1aps s GLN 50 Cb 0.00 -1.60 0.02 0.00 1.00 0.00 0.00 33.01 32.43 1aps s GLN 50 CO 0.00 0.22 -0.12 0.54 -2.12 0.00 0.00 175.29 173.81 1aps s VAL 51 N 0.12 2.51 -0.19 1.09 0.11 -0.40 -1.13 120.40 122.52 1aps s VAL 51 Ca -0.06 -1.01 -0.08 0.00 -2.93 0.00 0.00 61.98 57.89 1aps s VAL 51 Cb -0.12 -2.20 -0.04 0.00 -1.53 0.00 0.00 36.38 32.48 1aps s VAL 51 CO 0.03 0.33 0.09 -1.58 -3.33 0.00 0.00 175.10 170.64 1aps s GLN 52 N 1.30 4.06 -0.09 1.54 -0.44 0.39 -1.14 119.66 125.28 1aps s GLN 52 Ca 0.02 -0.29 -0.30 0.00 -2.50 0.00 0.00 55.36 52.28 1aps s GLN 52 Cb -0.15 -3.30 0.08 0.00 -1.64 0.00 0.00 33.01 28.00 1aps s GLN 52 CO -0.08 0.29 0.74 0.20 0.50 0.00 0.00 175.29 176.94 1aps s GLY 53 N 0.34 -0.52 0.48 2.59 0.00 -0.92 -0.63 107.32 108.66 1aps s GLY 53 Ca 0.05 1.51 -0.23 0.00 0.00 0.00 0.00 44.72 46.05 1aps s GLY 53 CO -0.01 1.05 1.25 -4.14 0.00 0.00 0.00 173.10 171.25 1aps s PRO 54 N -1.03 3.57 0.00 2.90 0.02 -1.26 -0.48 135.00 138.72 1aps s PRO 54 Ca -0.08 1.99 0.00 0.00 0.02 0.00 0.00 61.00 62.93 1aps s PRO 54 Cb -0.01 -2.41 0.00 0.00 0.02 0.00 0.00 34.50 32.11 1aps s PRO 54 CO 0.08 -0.77 0.00 -1.91 -0.33 0.00 0.00 177.00 174.07 1aps n GLU 55 N -0.59 0.00 -0.35 5.54 4.07 -0.13 -0.52 120.64 128.67 1aps n GLU 55 Ca 0.08 0.00 -0.03 0.00 -0.06 0.00 0.00 57.16 57.15 1aps n GLU 55 Cb 0.46 0.00 0.10 0.00 -0.06 0.00 0.00 31.44 31.94 1aps n GLU 55 CO 0.00 0.00 0.00 1.05 -0.06 0.00 0.00 177.13 178.12 1aps h GLU 56 N 0.00 1.28 -0.59 5.31 9.09 -1.91 -1.12 114.58 126.64 1aps h GLU 56 Ca 0.00 -0.13 -0.09 0.00 0.05 0.00 0.00 59.36 59.19 1aps h GLU 56 Cb 0.00 -0.26 -0.02 0.00 -1.65 0.00 0.00 28.75 26.81 1aps h GLU 56 CO 0.00 0.91 0.01 0.87 0.05 0.00 0.00 179.01 180.85 1aps h LYS 57 N 1.30 1.02 -0.67 1.06 6.56 -1.13 -2.79 116.57 121.93 1aps h LYS 57 Ca 0.33 -0.31 -0.01 0.00 -1.06 0.00 0.00 60.65 59.60 1aps h LYS 57 Cb -0.03 -0.10 -0.03 0.00 -0.57 0.00 0.00 32.23 31.50 1aps h LYS 57 CO -0.06 1.00 0.36 0.28 -2.06 0.00 0.00 179.45 178.97 1aps h VAL 58 N 0.94 1.21 -0.50 0.50 2.07 -0.50 -2.48 116.25 117.49 1aps h VAL 58 Ca 0.17 -0.54 0.07 0.00 0.82 0.00 0.00 66.70 67.22 1aps h VAL 58 Cb 0.53 0.35 -0.06 0.00 -1.52 0.00 0.00 31.29 30.60 1aps h VAL 58 CO 0.03 0.23 0.18 0.78 0.02 0.00 0.00 177.57 178.81 1aps h ASN 59 N 0.91 0.19 -0.12 0.57 -0.26 -0.95 0.11 115.58 116.03 1aps h ASN 59 Ca 0.23 0.06 -0.04 0.00 -0.56 0.00 0.00 56.30 55.99 1aps h ASN 59 Cb 0.05 0.04 -0.00 0.00 -1.06 0.00 0.00 38.32 37.35 1aps h ASN 59 CO -0.04 0.14 -0.08 0.77 -1.06 0.00 0.00 177.43 177.16 1aps h SER 60 N 0.36 0.28 -0.37 5.81 4.64 -1.57 -3.25 113.55 119.46 1aps h SER 60 Ca 0.24 -0.45 0.08 0.00 -0.47 0.00 0.00 61.79 61.19 1aps h SER 60 Cb 0.25 -0.08 -0.08 0.00 -0.31 0.00 0.00 62.40 62.18 1aps h SER 60 CO -0.24 0.67 -0.23 -0.03 -0.87 0.00 0.00 176.83 176.13 1aps h MET 61 N -0.10 -0.17 -0.84 4.77 -1.53 -1.04 -0.56 114.93 115.46 1aps h MET 61 Ca 0.02 0.01 0.03 0.00 -3.44 0.00 0.00 59.70 56.32 1aps h MET 61 Cb 0.57 0.04 -0.05 0.00 -0.55 0.00 0.00 31.60 31.62 1aps h MET 61 CO 0.02 -0.11 0.55 1.57 0.14 0.00 0.00 176.91 179.08 1aps h LYS 62 N -0.18 1.04 0.63 0.39 2.10 -0.89 0.07 116.57 119.74 1aps h LYS 62 Ca 0.18 -0.06 -0.03 0.00 -2.00 0.00 0.00 60.65 58.74 1aps h LYS 62 Cb 0.46 -0.23 0.01 0.00 -0.90 0.00 0.00 32.23 31.56 1aps h LYS 62 CO -0.47 0.69 -0.30 0.77 -2.00 0.00 0.00 179.45 178.13 1aps h SER 63 N 1.07 -0.71 -0.80 7.07 0.02 -1.45 -3.28 113.55 115.47 1aps h SER 63 Ca 0.33 -0.02 0.19 0.00 -0.84 0.00 0.00 61.79 61.45 1aps h SER 63 Cb -0.02 0.18 -0.13 0.00 0.14 0.00 0.00 62.40 62.57 1aps h SER 63 CO -0.09 -0.39 0.13 -0.25 -1.14 0.00 0.00 176.83 175.09 1aps h TRP 64 N -1.04 0.17 -0.35 3.45 7.01 -0.61 -1.73 115.95 122.85 1aps h TRP 64 Ca -0.09 0.05 0.00 0.00 2.11 0.00 0.00 58.89 60.96 1aps h TRP 64 Cb 0.69 0.05 0.00 0.00 -2.10 0.00 0.00 29.16 27.81 1aps h TRP 64 CO -0.00 -0.20 0.00 1.28 -2.79 0.00 0.00 178.44 176.73 1aps n LEU 65 N -5.26 2.45 0.00 0.65 4.77 -0.03 -4.64 117.00 114.94 1aps n LEU 65 Ca 0.17 -1.23 0.00 0.00 -0.03 0.00 0.00 56.01 54.91 1aps n LEU 65 Cb 0.55 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1aps n LEU 65 CO 0.07 0.49 0.00 -1.54 -1.33 0.00 0.00 177.39 175.07 1aps n SER 66 N 0.52 0.00 -3.93 -1.43 3.41 -0.65 -4.51 113.62 107.03 1aps n SER 66 Ca 0.13 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.38 1aps n SER 66 Cb 0.45 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.35 1aps n SER 66 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1aps n LYS 67 N 0.00 3.04 0.02 4.33 4.81 -1.26 -2.67 118.16 126.43 1aps n LYS 67 Ca 0.00 -4.54 0.00 0.00 -0.87 0.00 0.00 58.31 52.90 1aps n LYS 67 Cb 0.00 -2.40 0.00 0.00 0.02 0.00 0.00 35.03 32.65 1aps n LYS 67 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1aps n VAL 68 N 1.76 0.16 0.00 3.15 0.31 -0.20 -5.01 118.33 118.49 1aps n VAL 68 Ca 0.25 0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.63 1aps n VAL 68 Cb 0.37 -1.11 0.00 0.00 -0.91 0.00 0.00 33.84 32.19 1aps n VAL 68 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1aps n GLY 69 N 2.46 1.30 3.35 2.92 0.00 -0.76 -4.89 105.19 109.56 1aps n GLY 69 Ca 0.00 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 1aps n GLY 69 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1aps n SER 70 N 3.15 -2.14 0.11 1.61 7.64 -1.26 -3.11 113.62 119.62 1aps n SER 70 Ca 0.00 0.88 -0.01 0.00 1.01 0.00 0.00 58.87 60.75 1aps n SER 70 Cb 0.00 -0.95 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 1aps n SER 70 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1aps h PRO 71 N 0.54 0.00 0.00 1.43 0.13 -1.98 -3.43 132.00 128.70 1aps h PRO 71 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1aps h PRO 71 Cb 1.43 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.56 1aps h PRO 71 CO 0.49 0.70 -0.44 -1.13 -0.23 0.00 0.00 178.00 177.39 1aps n SER 72 N -3.33 1.09 -4.62 1.44 3.41 -1.23 -5.07 113.62 105.30 1aps n SER 72 Ca 0.01 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.24 1aps n SER 72 Cb 0.79 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.65 1aps n SER 72 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1aps s SER 73 N -4.04 6.21 -1.01 4.04 0.01 -1.18 -5.02 113.70 112.71 1aps s SER 73 Ca 0.00 0.23 -0.24 0.00 1.31 0.00 0.00 55.95 57.25 1aps s SER 73 Cb 0.00 -2.17 -0.06 0.00 0.21 0.00 0.00 66.02 64.00 1aps s SER 73 CO 0.00 -0.08 1.94 -0.60 0.41 0.00 0.00 173.24 174.91 1aps s ARG 74 N 1.66 2.54 -0.92 12.44 3.00 -1.09 -4.49 118.95 132.09 1aps s ARG 74 Ca 0.12 -0.62 -0.24 0.00 -1.00 0.00 0.00 55.73 53.99 1aps s ARG 74 Cb -0.15 -5.13 0.01 0.00 0.00 0.00 0.00 34.95 29.67 1aps s ARG 74 CO 0.09 -3.60 1.65 0.42 0.00 0.00 0.00 175.30 173.86 1aps s ILE 75 N 10.39 3.68 0.00 4.11 1.09 -1.26 -4.04 121.20 135.18 1aps s ILE 75 Ca 0.69 -0.42 -0.24 0.00 -1.10 0.00 0.00 60.65 59.58 1aps s ILE 75 Cb -0.04 -4.57 -0.16 0.00 -1.06 0.00 0.00 42.46 36.63 1aps s ILE 75 CO 0.04 -1.49 1.17 -0.78 -0.10 0.00 0.00 174.94 173.78 1aps h ASP 76 N 10.79 -0.38 -4.21 3.58 1.82 -1.75 -0.32 116.42 125.95 1aps h ASP 76 Ca 0.08 -0.17 0.00 0.00 -0.39 0.00 0.00 57.03 56.55 1aps h ASP 76 Cb 1.02 0.10 -0.22 0.00 0.68 0.00 0.00 39.33 40.91 1aps h ASP 76 CO 1.32 0.01 0.31 -0.60 -1.61 0.00 0.00 179.24 178.66 1aps s ARG 77 N -4.49 0.79 -0.17 0.28 3.00 -1.09 -4.17 118.95 113.11 1aps s ARG 77 Ca -0.14 0.48 -0.14 0.00 -1.00 0.00 0.00 55.73 54.93 1aps s ARG 77 Cb 0.02 0.38 0.05 0.00 0.00 0.00 0.00 34.95 35.39 1aps s ARG 77 CO 0.51 -0.19 0.44 0.99 0.00 0.00 0.00 175.30 177.06 1aps s THR 78 N -0.51 -0.00 -0.08 4.11 2.01 -1.26 -0.20 115.64 119.70 1aps s THR 78 Ca -0.03 0.02 -0.09 0.00 0.31 0.00 0.00 61.69 61.89 1aps s THR 78 Cb -0.02 -0.62 -0.04 0.00 0.01 0.00 0.00 72.50 71.82 1aps s THR 78 CO 0.03 0.01 0.21 0.21 -0.69 0.00 0.00 174.62 174.39 1aps s ASN 79 N 0.45 6.50 -0.30 3.53 3.84 -1.01 -4.84 114.94 123.12 1aps s ASN 79 Ca -0.02 0.60 -0.02 0.00 0.21 0.00 0.00 52.86 53.63 1aps s ASN 79 Cb -0.04 -2.12 0.05 0.00 -0.55 0.00 0.00 41.25 38.59 1aps s ASN 79 CO -0.02 0.38 0.01 -0.36 -2.79 0.00 0.00 177.10 174.32 1aps s PHE 80 N -1.06 3.27 0.34 0.43 0.40 -1.26 -0.80 117.98 119.30 1aps s PHE 80 Ca 0.18 -1.85 0.07 0.00 -0.60 0.00 0.00 56.93 54.72 1aps s PHE 80 Cb -0.13 -2.13 -0.07 0.00 0.51 0.00 0.00 43.02 41.20 1aps s PHE 80 CO 0.07 -0.80 -0.02 -1.12 0.70 0.00 0.00 175.22 174.05 1aps s SER 81 N 1.27 3.19 -0.33 1.36 0.01 -0.27 -5.01 113.70 113.91 1aps s SER 81 Ca -0.05 -1.29 -0.12 0.00 1.31 0.00 0.00 55.95 55.80 1aps s SER 81 Cb -0.20 -0.25 0.02 0.00 0.21 0.00 0.00 66.02 65.80 1aps s SER 81 CO -0.01 -0.41 0.32 0.59 0.41 0.00 0.00 173.24 174.14 1aps n ASN 82 N -0.77 -7.39 -4.36 2.44 3.02 -1.26 -1.05 115.26 105.89 1aps n ASN 82 Ca -0.04 0.71 -0.39 0.00 -0.03 0.00 0.00 54.58 54.83 1aps n ASN 82 Cb 0.65 -4.21 -0.12 0.00 -0.61 0.00 0.00 39.78 35.49 1aps n ASN 82 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1aps s GLU 83 N -2.01 2.90 -0.80 3.52 2.12 -1.26 -2.49 118.70 120.68 1aps s GLU 83 Ca 0.15 -1.01 -0.14 0.00 0.36 0.00 0.00 54.97 54.33 1aps s GLU 83 Cb -0.03 -3.59 0.21 0.00 0.26 0.00 0.00 34.13 30.98 1aps s GLU 83 CO 0.68 -0.61 0.74 0.15 -0.54 0.00 0.00 175.26 175.68 1aps s LYS 84 N 1.52 3.54 -1.12 4.30 -0.14 0.75 -4.96 119.74 123.63 1aps s LYS 84 Ca 0.02 -2.38 -0.22 0.00 -1.36 0.00 0.00 55.97 52.02 1aps s LYS 84 Cb -0.19 -4.41 -0.01 0.00 -1.68 0.00 0.00 37.83 31.54 1aps s LYS 84 CO 0.05 -1.29 1.80 0.95 -0.76 0.00 0.00 175.35 176.09 1aps s THR 85 N 0.32 3.74 0.17 2.17 -4.23 -1.26 -0.48 115.64 116.06 1aps s THR 85 Ca 0.16 -1.01 0.08 0.00 -1.18 0.00 0.00 61.69 59.74 1aps s THR 85 Cb -0.12 -4.69 -0.04 0.00 1.34 0.00 0.00 72.50 68.99 1aps s THR 85 CO -0.08 -1.42 -0.04 0.27 -0.54 0.00 0.00 174.62 172.81 1aps s ILE 86 N 7.96 3.50 0.24 2.99 -4.36 0.22 -4.23 121.20 127.51 1aps s ILE 86 Ca 0.61 -1.51 -0.31 0.00 -0.26 0.00 0.00 60.65 59.18 1aps s ILE 86 Cb -0.01 -2.74 -0.12 0.00 1.25 0.00 0.00 42.46 40.84 1aps s ILE 86 CO 0.04 -0.10 1.64 -0.24 0.24 0.00 0.00 174.94 176.53 1aps n SER 87 N -0.02 3.81 -1.49 4.36 2.88 -0.69 -4.25 113.62 118.21 1aps n SER 87 Ca -0.10 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.54 1aps n SER 87 Cb 0.55 -1.56 0.00 0.00 -0.75 0.00 0.00 64.21 62.45 1aps n SER 87 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1aps n LYS 88 N 3.06 -3.93 -2.76 -1.46 5.02 -1.26 -4.80 118.16 112.03 1aps n LYS 88 Ca 0.13 3.05 -0.42 0.00 -2.02 0.00 0.00 58.31 59.04 1aps n LYS 88 Cb 0.35 -3.81 -0.03 0.00 -0.02 0.00 0.00 35.03 31.52 1aps n LYS 88 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1aps s LEU 89 N -5.26 4.09 -1.21 -0.35 1.43 -1.26 -4.96 118.68 111.17 1aps s LEU 89 Ca 0.00 -1.05 -0.17 0.00 -1.03 0.00 0.00 54.13 51.87 1aps s LEU 89 Cb 0.00 -2.47 0.11 0.00 0.03 0.00 0.00 46.19 43.86 1aps s LEU 89 CO 0.00 -1.49 1.55 -0.70 0.23 0.00 0.00 176.35 175.94 1aps s GLU 90 N 4.37 3.95 0.00 1.70 2.12 -1.26 -4.76 118.70 124.82 1aps s GLU 90 Ca 0.29 -2.08 0.00 0.00 0.36 0.00 0.00 54.97 53.54 1aps s GLU 90 Cb -0.11 -5.30 0.00 0.00 0.26 0.00 0.00 34.13 28.97 1aps s GLU 90 CO 0.07 -2.04 0.00 0.66 -0.54 0.00 0.00 175.26 173.40 1aps n TYR 91 N 7.34 0.00 -2.64 5.30 4.02 -1.26 -4.34 117.16 125.58 1aps n TYR 91 Ca 0.41 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.88 1aps n TYR 91 Cb 0.46 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.75 1aps n TYR 91 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1aps s SER 92 N 0.00 6.59 0.43 7.72 1.04 -1.26 -4.60 113.70 123.62 1aps s SER 92 Ca 0.00 -1.74 0.00 0.00 0.48 0.00 0.00 55.95 54.69 1aps s SER 92 Cb 0.00 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.59 1aps s SER 92 CO 0.00 -1.36 0.00 0.59 0.98 0.00 0.00 173.24 173.45 1aps n ASN 93 N 8.29 -8.23 -3.64 7.02 4.13 -1.26 -4.31 115.26 117.26 1aps n ASN 93 Ca 0.33 0.89 -0.42 0.00 1.68 0.00 0.00 54.58 57.06 1aps n ASN 93 Cb 0.50 -4.38 -0.04 0.00 -1.54 0.00 0.00 39.78 34.32 1aps n ASN 93 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 1aps n PHE 94 N -4.19 2.37 -2.62 3.10 7.35 -0.90 -1.46 117.46 121.10 1aps n PHE 94 Ca -0.03 -2.18 -0.43 0.00 -0.76 0.00 0.00 57.45 54.05 1aps n PHE 94 Cb 0.64 -1.97 -0.02 0.00 0.35 0.00 0.00 39.48 38.47 1aps n PHE 94 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 1aps s SER 95 N 4.37 6.64 0.45 -2.13 0.01 -0.34 -4.13 113.70 118.57 1aps s SER 95 Ca 0.54 0.46 0.00 0.00 1.31 0.00 0.00 55.95 58.26 1aps s SER 95 Cb 0.14 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.83 1aps s SER 95 CO 0.05 -1.22 0.00 1.33 0.41 0.00 0.00 173.24 173.81 1aps n VAL 96 N 6.75 -0.48 -3.84 3.43 0.24 -1.26 -4.18 118.33 118.99 1aps n VAL 96 Ca 0.11 0.61 -0.36 0.00 -2.04 0.00 0.00 64.34 62.67 1aps n VAL 96 Cb 0.49 -0.99 -0.13 0.00 -1.47 0.00 0.00 33.84 31.74 1aps n VAL 96 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1aps s ARG 97 N -4.06 2.81 0.00 7.34 3.52 -1.26 -1.98 118.95 125.33 1aps s ARG 97 Ca 0.00 -1.02 0.31 0.00 -0.13 0.00 0.00 55.73 54.88 1aps s ARG 97 Cb 0.00 -3.24 1.64 0.00 -1.56 0.00 0.00 34.95 31.78 1aps s ARG 97 CO 0.00 -0.50 2.08 0.66 -0.81 0.00 0.00 175.30 176.72