#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1o n ILE 3 N 0.00 0.00 -4.02 1.53 -0.00 -1.26 -4.89 119.36 110.72 3i1o n ILE 3 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 62.75 62.78 3i1o n ILE 3 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 39.64 39.65 3i1o n ILE 3 CO 0.00 0.00 0.00 -0.54 -0.00 0.00 0.00 176.55 176.01 3i1o s LYS 4 N 0.00 0.31 -0.04 0.38 -0.14 -1.26 -4.95 119.74 114.04 3i1o s LYS 4 Ca 0.00 -0.20 0.21 0.00 -1.36 0.00 0.00 55.97 54.62 3i1o s LYS 4 Cb 0.00 0.09 0.66 0.00 -1.68 0.00 0.00 37.83 36.90 3i1o s LYS 4 CO 0.00 -0.15 1.56 0.43 -0.76 0.00 0.00 175.35 176.43 3i1o n SER 5 N -1.07 4.19 0.16 2.83 7.64 -1.26 -4.34 113.62 121.76 3i1o n SER 5 Ca 0.05 -2.14 0.12 0.00 1.01 0.00 0.00 58.87 57.90 3i1o n SER 5 Cb 0.58 -0.51 0.08 0.00 -1.01 0.00 0.00 64.21 63.35 3i1o n SER 5 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i1o h ALA 6 N 4.16 0.73 -0.02 -0.43 0.00 -1.92 -1.95 119.26 119.82 3i1o h ALA 6 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 3i1o h ALA 6 Cb 1.13 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3i1o h ALA 6 CO 0.07 0.00 -0.71 0.87 0.00 0.00 0.00 179.25 179.49 3i1o h LYS 7 N 0.00 0.10 0.00 0.00 6.56 -1.91 -2.48 116.57 118.84 3i1o h LYS 7 Ca 0.00 -0.09 -0.21 0.00 -1.06 0.00 0.00 60.65 59.30 3i1o h LYS 7 Cb 1.00 0.02 -0.04 0.00 -0.57 0.00 0.00 32.23 32.64 3i1o h LYS 7 CO 0.00 0.76 -1.79 0.36 -2.06 0.00 0.00 179.45 176.72 3i1o n LYS 8 N -3.75 0.65 0.11 3.15 2.85 -1.22 -3.22 118.16 116.73 3i1o n LYS 8 Ca -0.02 0.10 0.11 0.00 -1.05 0.00 0.00 58.31 57.46 3i1o n LYS 8 Cb 0.69 -1.69 0.46 0.00 -0.65 0.00 0.00 35.03 33.84 3i1o n LYS 8 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 3i1o n ARG 9 N -2.77 0.17 0.04 -1.58 3.00 -0.74 -0.76 116.66 114.03 3i1o n ARG 9 Ca -0.16 0.39 -0.11 0.00 -0.00 0.00 0.00 57.85 57.98 3i1o n ARG 9 Cb 0.90 -1.81 0.01 0.00 0.00 0.00 0.00 32.46 31.56 3i1o n ARG 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i1o h ALA 10 N 2.31 0.55 0.08 5.13 0.00 -1.41 -3.07 119.26 122.84 3i1o h ALA 10 Ca 0.00 -0.61 -0.36 0.00 0.00 0.00 0.00 54.91 53.94 3i1o h ALA 10 Cb 0.35 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3i1o h ALA 10 CO 0.00 0.76 -2.07 -0.89 0.00 0.00 0.00 179.25 177.05 3i1o n ILE 11 N -3.85 1.69 0.00 0.00 5.41 -1.04 -2.58 119.36 118.99 3i1o n ILE 11 Ca -0.05 -0.67 0.00 0.00 1.00 0.00 0.00 62.75 63.03 3i1o n ILE 11 Cb 0.72 -1.52 0.00 0.00 -0.71 0.00 0.00 39.64 38.13 3i1o n ILE 11 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 3i1o n GLN 12 N -3.35 0.00 -0.01 0.38 7.27 0.07 0.12 117.38 121.85 3i1o n GLN 12 Ca -0.32 0.29 -0.01 0.00 0.07 0.00 0.00 57.00 57.03 3i1o n GLN 12 Cb 1.04 -1.64 -0.02 0.00 2.41 0.00 0.00 30.24 32.03 3i1o n GLN 12 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 3i1o n SER 13 N -1.27 4.32 0.04 1.69 3.41 -1.16 -4.15 113.62 116.49 3i1o n SER 13 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 3i1o n SER 13 Cb 0.14 0.63 -0.13 0.00 -0.26 0.00 0.00 64.21 64.59 3i1o n SER 13 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3i1o h GLU 14 N 0.00 0.05 -0.58 4.33 4.22 -0.91 0.63 114.58 122.33 3i1o h GLU 14 Ca -0.07 -0.09 -0.01 0.00 0.08 0.00 0.00 59.36 59.28 3i1o h GLU 14 Cb 1.07 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.32 3i1o h GLU 14 CO 0.00 0.87 0.33 -0.22 -2.18 0.00 0.00 179.01 177.81 3i1o h LYS 15 N 0.01 0.80 -0.00 1.92 3.11 0.61 -2.08 116.57 120.94 3i1o h LYS 15 Ca -0.14 -0.08 0.00 0.00 -2.81 0.00 0.00 60.65 57.62 3i1o h LYS 15 Cb 1.89 -0.16 0.00 0.00 -1.00 0.00 0.00 32.23 32.96 3i1o h LYS 15 CO 0.12 0.60 -0.07 0.00 -2.81 0.00 0.00 179.45 177.29 3i1o n ALA 16 N -2.30 2.51 0.28 5.00 0.00 -1.21 -3.57 120.51 121.22 3i1o n ALA 16 Ca 0.04 -0.14 -0.14 0.00 0.00 0.00 0.00 53.44 53.20 3i1o n ALA 16 Cb 0.07 -1.42 -0.07 0.00 0.00 0.00 0.00 19.45 18.03 3i1o n ALA 16 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3i1o h ARG 17 N 0.01 -0.70 -0.53 0.00 1.12 -0.14 -3.02 114.38 111.12 3i1o h ARG 17 Ca 0.00 0.05 0.00 0.00 -1.11 0.00 0.00 59.98 58.92 3i1o h ARG 17 Cb 0.49 0.16 -0.03 0.00 -0.01 0.00 0.00 29.97 30.58 3i1o h ARG 17 CO 0.00 -0.39 0.35 0.87 -3.11 0.00 0.00 179.97 177.69 3i1o h LYS 18 N -1.02 0.70 -0.79 0.20 1.57 -1.61 -0.22 116.57 115.40 3i1o h LYS 18 Ca -0.07 -0.04 0.16 0.00 -1.87 0.00 0.00 60.65 58.82 3i1o h LYS 18 Cb 0.63 -0.16 -0.15 0.00 0.08 0.00 0.00 32.23 32.63 3i1o h LYS 18 CO 0.12 0.47 -0.22 1.25 -0.57 0.00 0.00 179.45 180.50 3i1o h HIS 19 N 0.72 -0.48 -0.21 -1.35 2.76 -1.65 0.42 115.15 115.36 3i1o h HIS 19 Ca 0.19 0.07 -0.08 0.00 -2.20 0.00 0.00 60.37 58.36 3i1o h HIS 19 Cb -0.08 0.33 -0.01 0.00 1.55 0.00 0.00 27.41 29.20 3i1o h HIS 19 CO -0.04 -0.35 -0.23 -0.91 -1.30 0.00 0.00 177.93 175.11 3i1o h ASN 20 N -0.01 0.38 -0.04 3.26 2.35 -1.15 -2.95 115.58 117.42 3i1o h ASN 20 Ca 0.37 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 56.01 3i1o h ASN 20 Cb 0.58 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.85 3i1o h ASN 20 CO -0.82 0.62 0.02 0.00 -1.65 0.00 0.00 177.43 175.60 3i1o h ALA 21 N 1.42 0.05 -0.04 -0.83 0.00 0.15 0.36 119.26 120.37 3i1o h ALA 21 Ca 0.06 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.74 3i1o h ALA 21 Cb 0.59 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3i1o h ALA 21 CO 0.04 -0.41 -0.79 0.66 0.00 0.00 0.00 179.25 178.74 3i1o h SER 22 N -0.01 0.38 1.14 0.00 4.64 -1.31 -0.68 113.55 117.72 3i1o h SER 22 Ca 0.01 -0.27 -0.17 0.00 -0.47 0.00 0.00 61.79 60.89 3i1o h SER 22 Cb 0.07 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.02 3i1o h SER 22 CO -0.00 1.03 -0.87 0.03 -0.87 0.00 0.00 176.83 176.14 3i1o h ARG 23 N 0.20 0.00 0.44 4.77 2.47 -1.50 0.02 114.38 120.79 3i1o h ARG 23 Ca -0.04 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.66 3i1o h ARG 23 Cb 1.39 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.71 3i1o h ARG 23 CO 0.13 0.73 -0.21 -0.09 0.56 0.00 0.00 179.97 181.09 3i1o h ARG 24 N 0.00 -0.57 -0.08 0.04 2.43 -0.25 -2.60 114.38 113.36 3i1o h ARG 24 Ca -0.03 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 3i1o h ARG 24 Cb 1.62 0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 31.26 3i1o h ARG 24 CO 0.10 -0.38 -0.41 0.66 -1.51 0.00 0.00 179.97 178.43 3i1o h SER 25 N -0.92 -1.30 -0.09 -3.80 4.64 -1.22 -0.70 113.55 110.15 3i1o h SER 25 Ca -0.06 0.15 0.01 0.00 -0.47 0.00 0.00 61.79 61.42 3i1o h SER 25 Cb 0.45 0.50 -0.01 0.00 -0.31 0.00 0.00 62.40 63.03 3i1o h SER 25 CO 0.10 -0.38 -0.05 0.80 -0.87 0.00 0.00 176.83 176.43 3i1o n MET 26 N -4.73 -0.04 -0.13 4.77 0.00 -0.00 0.52 117.12 117.50 3i1o n MET 26 Ca -0.05 0.37 -0.04 0.00 0.00 0.00 0.00 57.70 57.98 3i1o n MET 26 Cb 0.29 -0.55 0.04 0.00 0.00 0.00 0.00 33.22 33.00 3i1o n MET 26 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 175.97 177.95 3i1o h MET 27 N 0.00 0.23 0.00 2.12 1.85 -0.96 0.19 114.93 118.36 3i1o h MET 27 Ca 0.01 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 3i1o h MET 27 Cb 0.04 -0.05 0.00 0.00 0.43 0.00 0.00 31.60 32.02 3i1o h MET 27 CO -0.09 0.15 0.00 0.00 -0.40 0.00 0.00 176.91 176.58 3i1o h ARG 28 N 0.24 0.00 0.15 0.39 3.08 0.16 -1.95 114.38 116.44 3i1o h ARG 28 Ca 0.21 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.96 3i1o h ARG 28 Cb 0.26 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.31 3i1o h ARG 28 CO -0.27 0.00 -1.40 1.15 -1.07 0.00 0.00 179.97 178.39 3i1o h THR 29 N 0.00 1.33 -0.00 2.04 2.02 0.29 -3.30 112.91 115.29 3i1o h THR 29 Ca 0.00 -2.90 0.00 0.00 0.77 0.00 0.00 66.41 64.28 3i1o h THR 29 Cb 0.17 2.89 0.00 0.00 -1.74 0.00 0.00 68.15 69.47 3i1o h THR 29 CO 0.00 0.85 -0.10 0.49 0.37 0.00 0.00 175.52 177.13 3i1o n PHE 30 N -3.53 0.00 -0.08 3.16 3.01 -0.76 -2.98 117.46 116.27 3i1o n PHE 30 Ca -0.13 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.16 3i1o n PHE 30 Cb 1.05 -0.45 -0.12 0.00 -0.01 0.00 0.00 39.48 39.95 3i1o n PHE 30 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 3i1o h ILE 31 N 0.00 1.45 0.00 4.37 2.04 -1.59 -3.27 117.51 120.51 3i1o h ILE 31 Ca 0.00 -2.27 0.00 0.00 1.00 0.00 0.00 64.86 63.59 3i1o h ILE 31 Cb 0.50 2.92 0.00 0.00 -0.74 0.00 0.00 36.82 39.50 3i1o h ILE 31 CO 0.00 0.49 0.00 0.29 0.00 0.00 0.00 178.15 178.93 3i1o n LYS 32 N -4.54 0.71 0.09 2.37 5.02 -1.24 0.12 118.16 120.68 3i1o n LYS 32 Ca -0.18 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 55.97 3i1o n LYS 32 Cb 0.55 -1.34 -0.08 0.00 -0.02 0.00 0.00 35.03 34.14 3i1o n LYS 32 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3i1o h LYS 33 N 0.00 0.32 0.00 1.97 3.64 -1.59 -3.02 116.57 117.89 3i1o h LYS 33 Ca 0.00 -0.42 -0.22 0.00 -1.27 0.00 0.00 60.65 58.74 3i1o h LYS 33 Cb 0.00 0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 3i1o h LYS 33 CO 0.00 1.14 -1.25 0.28 -2.27 0.00 0.00 179.45 177.35 3i1o n VAL 34 N -3.64 1.53 0.16 2.00 0.31 0.77 -4.06 118.33 115.41 3i1o n VAL 34 Ca -0.07 -0.02 -0.14 0.00 -0.01 0.00 0.00 64.34 64.10 3i1o n VAL 34 Cb 0.92 -2.06 -0.08 0.00 -0.91 0.00 0.00 33.84 31.71 3i1o n VAL 34 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 3i1o h TYR 35 N -1.00 -0.33 0.00 3.52 3.20 0.75 -2.31 116.97 120.79 3i1o h TYR 35 Ca -0.34 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.52 3i1o h TYR 35 Cb 1.26 0.11 0.00 0.00 1.54 0.00 0.00 36.73 39.64 3i1o h TYR 35 CO 0.07 -0.13 0.00 0.00 -1.64 0.00 0.00 178.16 176.46 3i1o h ALA 36 N 0.24 1.00 -0.43 1.82 0.00 -1.74 -2.78 119.26 117.38 3i1o h ALA 36 Ca -0.04 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.65 3i1o h ALA 36 Cb 0.35 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.01 3i1o h ALA 36 CO 0.06 0.00 0.28 0.00 0.00 0.00 0.00 179.25 179.59 3i1o n ALA 37 N -1.83 3.87 0.00 0.00 0.00 -0.87 -3.15 120.51 118.54 3i1o n ALA 37 Ca 0.01 -1.24 0.00 0.00 0.00 0.00 0.00 53.44 52.21 3i1o n ALA 37 Cb 0.21 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.46 3i1o n ALA 37 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3i1o n ILE 38 N -0.17 0.00 -0.24 0.00 5.41 -1.05 -4.18 119.36 119.12 3i1o n ILE 38 Ca 0.26 0.00 0.01 0.00 1.00 0.00 0.00 62.75 64.02 3i1o n ILE 38 Cb 0.98 -0.25 0.13 0.00 -0.71 0.00 0.00 39.64 39.80 3i1o n ILE 38 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 3i1o h GLU 39 N 0.00 0.60 0.43 0.38 5.08 -1.68 -1.08 114.58 118.31 3i1o h GLU 39 Ca 0.00 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3i1o h GLU 39 Cb 0.34 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 3i1o h GLU 39 CO 0.00 0.39 -0.25 0.00 -1.00 0.00 0.00 179.01 178.16 3i1o h ALA 40 N 1.42 -0.64 0.00 3.43 0.00 -1.84 -3.48 119.26 118.15 3i1o h ALA 40 Ca 0.34 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3i1o h ALA 40 Cb 0.35 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3i1o h ALA 40 CO -0.26 -0.87 0.00 0.41 0.00 0.00 0.00 179.25 178.54 3i1o n GLY 41 N -1.38 0.81 3.57 0.00 0.00 -0.41 -5.04 105.19 102.74 3i1o n GLY 41 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 3i1o n GLY 41 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i1o n ASP 42 N 0.00 4.95 0.00 1.61 10.43 -1.26 -4.92 116.55 127.36 3i1o n ASP 42 Ca 0.00 -2.92 0.00 0.00 2.57 0.00 0.00 54.79 54.44 3i1o n ASP 42 Cb 0.00 -1.74 0.00 0.00 1.84 0.00 0.00 41.12 41.22 3i1o n ASP 42 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3i1o n LYS 43 N 8.21 0.00 -2.33 -1.24 5.02 -1.26 -0.50 118.16 126.06 3i1o n LYS 43 Ca 0.48 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.78 3i1o n LYS 43 Cb 0.46 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.51 3i1o n LYS 43 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i1o n ALA 44 N 0.00 2.56 0.66 7.82 0.00 -1.26 -4.72 120.51 125.57 3i1o n ALA 44 Ca 0.00 -2.64 0.12 0.00 0.00 0.00 0.00 53.44 50.93 3i1o n ALA 44 Cb 0.00 -0.81 0.25 0.00 0.00 0.00 0.00 19.45 18.89 3i1o n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1o n ALA 45 N -0.22 2.85 0.22 0.00 0.00 0.34 -3.29 120.51 120.41 3i1o n ALA 45 Ca 0.08 -0.21 0.11 0.00 0.00 0.00 0.00 53.44 53.41 3i1o n ALA 45 Cb 0.93 -1.24 0.32 0.00 0.00 0.00 0.00 19.45 19.46 3i1o n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1o h ALA 46 N 2.60 0.95 0.00 0.00 0.00 -1.83 -2.50 119.26 118.48 3i1o h ALA 46 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3i1o h ALA 46 Cb 0.70 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3i1o h ALA 46 CO 0.00 0.17 0.00 0.94 0.00 0.00 0.00 179.25 180.36 3i1o n GLN 47 N -3.18 0.85 -0.03 0.00 0.00 -1.21 -1.68 117.38 112.13 3i1o n GLN 47 Ca 0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 57.00 57.00 3i1o n GLN 47 Cb 0.49 -1.05 -0.05 0.00 0.00 0.00 0.00 30.24 29.63 3i1o n GLN 47 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 3i1o n LYS 48 N -0.55 2.55 0.07 3.69 4.81 -0.94 -4.39 118.16 123.39 3i1o n LYS 48 Ca 0.02 -0.01 0.11 0.00 -0.87 0.00 0.00 58.31 57.56 3i1o n LYS 48 Cb 0.01 -1.17 -0.01 0.00 0.02 0.00 0.00 35.03 33.89 3i1o n LYS 48 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3i1o n ALA 49 N -2.17 2.73 -0.09 3.14 0.00 -1.12 -3.65 120.51 119.34 3i1o n ALA 49 Ca -0.09 -0.30 -0.12 0.00 0.00 0.00 0.00 53.44 52.93 3i1o n ALA 49 Cb 0.64 -1.04 -0.04 0.00 0.00 0.00 0.00 19.45 19.00 3i1o n ALA 49 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3i1o h PHE 50 N 0.00 0.58 0.00 0.00 3.04 -1.56 -1.84 116.94 117.16 3i1o h PHE 50 Ca 0.00 -0.13 -0.01 0.00 3.98 0.00 0.00 57.97 61.81 3i1o h PHE 50 Cb 0.94 -0.14 -0.00 0.00 2.56 0.00 0.00 35.95 39.31 3i1o h PHE 50 CO 0.00 0.73 -0.04 -0.91 -2.02 0.00 0.00 178.31 176.08 3i1o h ASN 51 N 0.26 0.00 -0.23 0.41 4.21 -1.77 0.35 115.58 118.80 3i1o h ASN 51 Ca 0.06 0.00 -0.12 0.00 1.21 0.00 0.00 56.30 57.45 3i1o h ASN 51 Cb 0.55 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.74 3i1o h ASN 51 CO 0.03 0.04 -0.29 -0.08 -1.29 0.00 0.00 177.43 175.84 3i1o h GLU 52 N 0.00 0.73 0.00 0.81 4.57 -1.48 -3.28 114.58 115.93 3i1o h GLU 52 Ca -0.00 -0.32 0.00 0.00 -1.18 0.00 0.00 59.36 57.86 3i1o h GLU 52 Cb 0.08 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 3i1o h GLU 52 CO 0.00 0.93 -1.35 0.00 -1.18 0.00 0.00 179.01 177.42 3i1o n MET 53 N -4.09 0.28 -0.26 1.92 0.00 -0.32 -4.39 117.12 110.27 3i1o n MET 53 Ca -0.01 -0.07 0.03 0.00 0.00 0.00 0.00 57.70 57.65 3i1o n MET 53 Cb 0.46 -1.53 0.16 0.00 0.00 0.00 0.00 33.22 32.32 3i1o n MET 53 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 175.97 176.34 3i1o h GLN 54 N 0.00 0.59 -0.23 3.17 4.15 -0.44 -2.02 115.11 120.33 3i1o h GLN 54 Ca 0.00 -0.04 -0.09 0.00 0.77 0.00 0.00 58.65 59.30 3i1o h GLN 54 Cb 0.72 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.27 3i1o h GLN 54 CO 0.00 0.39 -0.20 -1.00 -1.93 0.00 0.00 178.83 176.09 3i1o h PRO 55 N 0.60 0.54 -0.07 -2.39 0.13 -1.77 -2.64 132.00 126.41 3i1o h PRO 55 Ca 0.38 -0.27 0.02 0.00 -0.87 0.00 0.00 66.00 65.26 3i1o h PRO 55 Cb 0.44 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.57 3i1o h PRO 55 CO -0.30 0.85 0.14 0.82 -0.23 0.00 0.00 178.00 179.29 3i1o h ILE 56 N 0.25 0.25 0.00 -3.56 2.04 -1.60 -0.88 117.51 114.01 3i1o h ILE 56 Ca 0.04 0.00 -0.28 0.00 1.00 0.00 0.00 64.86 65.62 3i1o h ILE 56 Cb 0.74 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 3i1o h ILE 56 CO 0.05 0.00 -1.60 0.52 0.00 0.00 0.00 178.15 177.12 3i1o n VAL 57 N -3.43 1.52 -0.28 1.67 0.31 -0.86 -3.50 118.33 113.77 3i1o n VAL 57 Ca -0.01 -0.11 0.09 0.00 -0.01 0.00 0.00 64.34 64.29 3i1o n VAL 57 Cb 0.23 -2.03 0.32 0.00 -0.91 0.00 0.00 33.84 31.45 3i1o n VAL 57 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 3i1o h ASP 58 N -1.00 0.75 0.26 4.52 3.32 -1.23 0.38 116.42 123.42 3i1o h ASP 58 Ca -0.42 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 56.65 3i1o h ASP 58 Cb 1.33 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.76 3i1o h ASP 58 CO -0.26 0.42 -0.13 -0.09 -1.72 0.00 0.00 179.24 177.47 3i1o h ARG 59 N 0.82 -0.34 0.00 3.56 2.43 -1.36 -2.48 114.38 117.00 3i1o h ARG 59 Ca 0.43 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.62 3i1o h ARG 59 Cb 0.52 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 3i1o h ARG 59 CO -0.19 -0.23 0.18 1.04 -1.51 0.00 0.00 179.97 179.26 3i1o n GLN 60 N -3.53 0.04 0.00 0.20 1.13 -1.15 -0.19 117.38 113.87 3i1o n GLN 60 Ca -0.04 0.43 0.00 0.00 -1.94 0.00 0.00 57.00 55.45 3i1o n GLN 60 Cb 0.14 -1.80 0.00 0.00 0.11 0.00 0.00 30.24 28.69 3i1o n GLN 60 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i1o n ALA 61 N -1.44 0.00 0.13 -1.58 0.00 0.11 -3.19 120.51 114.54 3i1o n ALA 61 Ca -0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.58 3i1o n ALA 61 Cb 0.19 0.00 0.39 0.00 0.00 0.00 0.00 19.45 20.03 3i1o n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1o h ALA 62 N -2.00 2.20 -2.76 0.00 0.00 -1.03 -3.02 119.26 112.66 3i1o h ALA 62 Ca 0.00 -0.01 -0.75 0.00 0.00 0.00 0.00 54.91 54.15 3i1o h ALA 62 Cb 0.00 0.03 -0.31 0.00 0.00 0.00 0.00 17.79 17.50 3i1o h ALA 62 CO 0.00 -1.07 0.13 0.21 0.00 0.00 0.00 179.25 178.52 3i1o s LYS 63 N -4.24 3.63 7.96 0.00 2.47 0.73 -5.03 119.74 125.27 3i1o s LYS 63 Ca -0.02 -3.12 0.00 0.00 -1.56 0.00 0.00 55.97 51.27 3i1o s LYS 63 Cb 0.08 -4.23 0.00 0.00 -1.46 0.00 0.00 37.83 32.22 3i1o s LYS 63 CO 0.28 -1.25 0.00 0.41 0.16 0.00 0.00 175.35 174.94 3i1o n GLY 64 N 2.72 4.28 0.00 5.54 0.00 -1.14 -4.58 105.19 112.01 3i1o n GLY 64 Ca 0.21 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.37 3i1o n GLY 64 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i1o n LEU 65 N 0.00 0.00 0.09 0.99 4.77 -1.25 -1.79 117.00 119.82 3i1o n LEU 65 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.99 3i1o n LEU 65 Cb 0.00 0.00 0.36 0.00 -2.33 0.00 0.00 43.42 41.45 3i1o n LEU 65 CO 0.00 0.00 0.87 0.16 -1.33 0.00 0.00 177.39 177.09 3i1o h ILE 66 N 0.00 1.19 -0.14 -0.08 3.07 -1.84 -3.48 117.51 116.24 3i1o h ILE 66 Ca 0.00 -0.85 0.00 0.00 1.55 0.00 0.00 64.86 65.56 3i1o h ILE 66 Cb 0.00 1.21 0.00 0.00 -0.27 0.00 0.00 36.82 37.76 3i1o h ILE 66 CO 0.00 0.27 0.00 1.57 -1.05 0.00 0.00 178.15 178.94 3i1o n HIS 67 N -4.25 -0.14 -1.11 0.16 -0.00 -0.74 -4.64 115.22 104.49 3i1o n HIS 67 Ca -0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 3i1o n HIS 67 Cb 0.28 0.03 0.00 0.00 -0.12 0.00 0.00 29.99 30.18 3i1o n HIS 67 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 3i1o n LYS 68 N 0.00 0.00 -0.78 1.57 4.01 -1.26 -2.97 118.16 118.74 3i1o n LYS 68 Ca 0.00 0.00 -0.01 0.00 -0.51 0.00 0.00 58.31 57.79 3i1o n LYS 68 Cb 0.00 0.00 0.20 0.00 -0.51 0.00 0.00 35.03 34.72 3i1o n LYS 68 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 3i1o n ASN 69 N 0.96 2.26 -0.23 4.39 6.94 -1.26 -4.57 115.26 123.74 3i1o n ASN 69 Ca 0.00 -3.85 -0.06 0.00 -0.02 0.00 0.00 54.58 50.66 3i1o n ASN 69 Cb 0.00 -0.59 0.04 0.00 -2.36 0.00 0.00 39.78 36.88 3i1o n ASN 69 CO 0.00 0.00 0.00 0.50 -1.03 0.00 0.00 177.26 176.73 3i1o h LYS 70 N 1.05 0.89 -0.11 -3.83 1.63 -1.80 -2.76 116.57 111.64 3i1o h LYS 70 Ca 0.14 -0.08 0.04 0.00 -0.85 0.00 0.00 60.65 59.90 3i1o h LYS 70 Cb 1.38 -0.19 -0.05 0.00 -0.60 0.00 0.00 32.23 32.78 3i1o h LYS 70 CO 0.25 0.63 -0.17 0.00 -3.45 0.00 0.00 179.45 176.71 3i1o h ALA 71 N 1.20 -0.12 -1.61 5.00 0.00 -1.81 -3.01 119.26 118.92 3i1o h ALA 71 Ca 0.23 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3i1o h ALA 71 Cb -0.03 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3i1o h ALA 71 CO -0.04 -0.63 0.00 0.00 0.00 0.00 0.00 179.25 178.58 3i1o n ALA 72 N -2.59 0.00 0.68 0.00 0.00 -1.04 0.60 120.51 118.16 3i1o n ALA 72 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3i1o n ALA 72 Cb 0.23 0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.94 3i1o n ALA 72 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3i1o n ARG 73 N -1.51 0.68 -0.05 0.00 -4.01 -1.22 0.14 116.66 110.69 3i1o n ARG 73 Ca 0.00 0.00 -0.09 0.00 -1.04 0.00 0.00 57.85 56.72 3i1o n ARG 73 Cb 0.00 -1.25 -0.04 0.00 -3.04 0.00 0.00 32.46 28.14 3i1o n ARG 73 CO 0.00 0.00 0.00 0.72 -3.04 0.00 0.00 177.63 175.31 3i1o n HIS 74 N 0.42 0.00 0.02 2.89 8.25 0.20 -4.45 115.22 122.55 3i1o n HIS 74 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.39 3i1o n HIS 74 Cb 0.26 -0.36 0.09 0.00 1.12 0.00 0.00 29.99 31.11 3i1o n HIS 74 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 3i1o h LYS 75 N -0.23 0.48 0.00 -0.41 1.57 0.13 -3.22 116.57 114.88 3i1o h LYS 75 Ca -0.24 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 3i1o h LYS 75 Cb 1.25 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.59 3i1o h LYS 75 CO -0.11 0.87 0.00 0.00 -0.57 0.00 0.00 179.45 179.64 3i1o n ALA 76 N -2.50 -0.16 0.56 3.86 0.00 0.12 -1.62 120.51 120.77 3i1o n ALA 76 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3i1o n ALA 76 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 3i1o n ALA 76 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3i1o n ASN 77 N -1.44 1.18 0.00 0.00 6.94 -1.26 -0.79 115.26 119.89 3i1o n ASN 77 Ca 0.00 -1.12 0.00 0.00 -0.02 0.00 0.00 54.58 53.44 3i1o n ASN 77 Cb 0.00 -0.28 0.00 0.00 -2.36 0.00 0.00 39.78 37.14 3i1o n ASN 77 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 3i1o n LEU 78 N 0.50 1.80 -0.03 -4.53 0.00 -1.22 -4.47 117.00 109.05 3i1o n LEU 78 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 56.01 55.88 3i1o n LEU 78 Cb 0.22 0.00 -0.08 0.00 0.00 0.00 0.00 43.42 43.55 3i1o n LEU 78 CO 0.00 0.30 0.62 0.74 0.00 0.00 0.00 177.39 179.05 3i1o h THR 79 N 0.00 1.37 0.00 1.96 2.02 0.02 -2.92 112.91 115.36 3i1o h THR 79 Ca 0.00 -1.24 0.00 0.00 0.77 0.00 0.00 66.41 65.94 3i1o h THR 79 Cb 0.94 2.03 0.00 0.00 -1.74 0.00 0.00 68.15 69.38 3i1o h THR 79 CO 0.00 0.34 0.00 0.00 0.37 0.00 0.00 175.52 176.23 3i1o n ALA 80 N -2.39 1.62 -1.22 6.16 0.00 -0.60 -0.96 120.51 123.14 3i1o n ALA 80 Ca -0.07 0.06 -0.30 0.00 0.00 0.00 0.00 53.44 53.12 3i1o n ALA 80 Cb 0.31 -1.35 0.07 0.00 0.00 0.00 0.00 19.45 18.48 3i1o n ALA 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3i1o n GLN 81 N -2.08 2.47 0.00 0.00 6.02 -1.10 -3.49 117.38 119.20 3i1o n GLN 81 Ca 0.02 -2.87 0.00 0.00 -0.01 0.00 0.00 57.00 54.14 3i1o n GLN 81 Cb 0.21 -2.13 0.00 0.00 1.02 0.00 0.00 30.24 29.34 3i1o n GLN 81 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.06 176.49 3i1o n ILE 82 N -0.62 0.00 0.30 5.09 -5.35 -0.98 -4.82 119.36 112.98 3i1o n ILE 82 Ca 0.55 0.00 0.17 0.00 -0.27 0.00 0.00 62.75 63.20 3i1o n ILE 82 Cb 0.65 0.00 0.93 0.00 -1.74 0.00 0.00 39.64 39.48 3i1o n ILE 82 CO 0.00 0.00 0.00 -1.13 -1.76 0.00 0.00 176.55 173.66 3i1o h ASN 83 N 0.00 0.00 0.55 7.28 -1.24 -1.09 0.62 115.58 121.69 3i1o h ASN 83 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 3i1o h ASN 83 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 3i1o h ASN 83 CO 0.00 0.00 -0.56 0.29 -1.29 0.00 0.00 177.43 175.87 3i1o n LYS 84 N -2.82 0.07 -0.08 6.67 5.02 -1.23 -3.80 118.16 121.98 3i1o n LYS 84 Ca -0.02 0.01 0.08 0.00 -2.02 0.00 0.00 58.31 56.37 3i1o n LYS 84 Cb 0.20 -1.54 0.13 0.00 -0.02 0.00 0.00 35.03 33.80 3i1o n LYS 84 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3i1o n LEU 85 N -1.63 2.40 0.00 -0.35 4.77 0.13 -5.16 117.00 117.16 3i1o n LEU 85 Ca 0.05 -2.92 0.00 0.00 -0.03 0.00 0.00 56.01 53.11 3i1o n LEU 85 Cb 0.36 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3i1o n LEU 85 CO 0.36 0.68 0.00 0.00 -1.33 0.00 0.00 177.39 177.09