#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vnd n SER 2 N 0.00 0.00 -2.67 0.00 3.41 -1.26 -4.90 113.62 108.20 1vnd n SER 2 Ca 0.00 -1.28 -0.06 0.00 -0.26 0.00 0.00 58.87 57.28 1vnd n SER 2 Cb 0.00 -0.06 0.09 0.00 -0.26 0.00 0.00 64.21 63.98 1vnd n SER 2 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1vnd n ASP 3 N 0.00 -1.67 0.00 4.04 2.03 -1.26 -5.06 116.55 114.63 1vnd n ASP 3 Ca 0.00 -2.23 0.00 0.00 0.52 0.00 0.00 54.79 53.08 1vnd n ASP 3 Cb 0.56 0.98 0.00 0.00 -0.72 0.00 0.00 41.12 41.94 1vnd n ASP 3 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1vnd n GLY 4 N -0.62 1.45 3.55 0.27 0.00 -1.26 -4.82 105.19 103.76 1vnd n GLY 4 Ca -0.10 -0.44 -0.26 0.00 0.00 0.00 0.00 46.02 45.23 1vnd n GLY 4 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vnd s LEU 5 N 0.00 2.72 -0.73 0.99 1.43 -1.26 -2.95 118.68 118.88 1vnd s LEU 5 Ca 0.00 -1.27 -0.27 0.00 -1.03 0.00 0.00 54.13 51.56 1vnd s LEU 5 Cb 0.00 -0.89 0.03 0.00 0.03 0.00 0.00 46.19 45.36 1vnd s LEU 5 CO 0.00 -0.33 1.28 -2.16 0.23 0.00 0.00 176.35 175.37 1vnd s PRO 6 N -3.67 3.20 -1.02 1.29 0.04 -1.26 -3.81 135.00 129.76 1vnd s PRO 6 Ca 0.33 -0.22 -0.06 0.00 0.04 0.00 0.00 61.00 61.09 1vnd s PRO 6 Cb 0.06 -4.17 0.25 0.00 0.04 0.00 0.00 34.50 30.67 1vnd s PRO 6 CO 0.16 -2.14 0.97 -0.80 0.04 0.00 0.00 177.00 175.24 1vnd s ASN 7 N 3.73 6.80 0.00 6.66 0.01 -1.26 -4.09 114.94 126.78 1vnd s ASN 7 Ca 0.35 -3.61 0.00 0.00 -0.71 0.00 0.00 52.86 48.89 1vnd s ASN 7 Cb -0.08 -2.09 0.00 0.00 0.41 0.00 0.00 41.25 39.49 1vnd s ASN 7 CO 0.15 -0.26 0.00 1.17 -1.51 0.00 0.00 177.10 176.66 1vnd n LYS 8 N 2.61 1.15 0.00 -0.60 4.81 -1.26 -4.81 118.16 120.05 1vnd n LYS 8 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.66 1vnd n LYS 8 Cb 0.39 -0.10 0.00 0.00 0.02 0.00 0.00 35.03 35.34 1vnd n LYS 8 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1vnd n LYS 9 N 0.00 5.17 -4.09 1.64 2.85 -1.26 -4.95 118.16 117.53 1vnd n LYS 9 Ca 0.00 -0.09 -0.35 0.00 -1.05 0.00 0.00 58.31 56.83 1vnd n LYS 9 Cb 0.00 -0.56 -0.11 0.00 -0.65 0.00 0.00 35.03 33.71 1vnd n LYS 9 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1vnd s ARG 10 N -0.76 3.77 0.00 -1.58 1.81 -1.26 -4.80 118.95 116.12 1vnd s ARG 10 Ca 0.00 -0.45 0.00 0.00 -1.72 0.00 0.00 55.73 53.56 1vnd s ARG 10 Cb 0.00 -3.13 0.00 0.00 -0.45 0.00 0.00 34.95 31.37 1vnd s ARG 10 CO 0.00 0.13 0.00 1.63 -0.68 0.00 0.00 175.30 176.38 1vnd n LYS 11 N 3.92 0.00 0.00 3.54 5.02 -1.26 -4.90 118.16 124.48 1vnd n LYS 11 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.12 1vnd n LYS 11 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.53 1vnd n LYS 11 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1vnd n ARG 12 N 0.00 0.00 -3.93 1.97 0.63 -1.26 -4.96 116.66 109.11 1vnd n ARG 12 Ca 0.00 0.00 -0.21 0.00 -0.92 0.00 0.00 57.85 56.72 1vnd n ARG 12 Cb 0.00 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 32.87 1vnd n ARG 12 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1vnd s ARG 13 N 0.00 2.89 -0.01 -0.14 1.81 -1.26 -5.14 118.95 117.11 1vnd s ARG 13 Ca 0.00 -1.13 0.00 0.00 -1.72 0.00 0.00 55.73 52.88 1vnd s ARG 13 Cb 0.00 -2.57 0.01 0.00 -0.45 0.00 0.00 34.95 31.93 1vnd s ARG 13 CO 0.00 0.25 -0.01 0.14 -0.68 0.00 0.00 175.30 175.01 1vnd s VAL 14 N -2.20 0.09 -0.03 3.52 -7.23 -1.26 -4.99 120.40 108.31 1vnd s VAL 14 Ca 0.37 -0.01 -0.07 0.00 -1.81 0.00 0.00 61.98 60.46 1vnd s VAL 14 Cb -0.07 -0.11 0.01 0.00 0.56 0.00 0.00 36.38 36.77 1vnd s VAL 14 CO 0.26 0.05 0.16 -0.76 -0.31 0.00 0.00 175.10 174.50 1vnd s LEU 15 N 0.21 1.44 -0.55 1.32 1.02 -1.26 -5.12 118.68 115.74 1vnd s LEU 15 Ca -0.02 0.03 -0.10 0.00 0.02 0.00 0.00 54.13 54.06 1vnd s LEU 15 Cb -0.03 0.67 0.14 0.00 0.02 0.00 0.00 46.19 46.99 1vnd s LEU 15 CO -0.01 -0.25 0.43 -0.36 0.02 0.00 0.00 176.35 176.18 1vnd s PHE 16 N -0.80 3.46 0.00 0.29 0.08 -1.26 -4.94 117.98 114.81 1vnd s PHE 16 Ca -0.09 -1.95 0.00 0.00 0.12 0.00 0.00 56.93 55.01 1vnd s PHE 16 Cb -0.05 -3.53 0.00 0.00 -0.57 0.00 0.00 43.02 38.87 1vnd s PHE 16 CO 0.01 -0.98 0.00 2.41 -0.10 0.00 0.00 175.22 176.57 1vnd n THR 17 N 4.61 0.00 1.24 0.64 -1.04 -1.26 -5.02 114.28 113.45 1vnd n THR 17 Ca -0.03 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.11 1vnd n THR 17 Cb 0.41 -0.12 0.67 0.00 -1.82 0.00 0.00 70.33 69.48 1vnd n THR 17 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1vnd n LYS 18 N -0.08 0.31 0.12 -2.82 2.85 -1.26 -2.87 118.16 114.41 1vnd n LYS 18 Ca 0.00 0.03 -0.23 0.00 -1.05 0.00 0.00 58.31 57.06 1vnd n LYS 18 Cb 0.00 -1.50 -0.14 0.00 -0.65 0.00 0.00 35.03 32.74 1vnd n LYS 18 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1vnd h ALA 19 N 3.24 -0.06 -0.01 0.58 0.00 -1.98 -3.30 119.26 117.72 1vnd h ALA 19 Ca 0.00 -0.82 -0.09 0.00 0.00 0.00 0.00 54.91 54.00 1vnd h ALA 19 Cb 0.30 0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.23 1vnd h ALA 19 CO 0.00 0.72 -0.36 1.96 0.00 0.00 0.00 179.25 181.57 1vnd h GLN 20 N 0.20 0.26 0.00 0.00 1.08 -1.89 -3.04 115.11 111.73 1vnd h GLN 20 Ca -0.21 -0.27 -0.13 0.00 -1.45 0.00 0.00 58.65 56.58 1vnd h GLN 20 Cb 2.04 0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 29.52 1vnd h GLN 20 CO 0.25 0.97 -0.64 1.79 -0.95 0.00 0.00 178.83 180.25 1vnd h THR 21 N -0.34 1.25 0.19 -0.54 1.35 -1.76 -2.96 112.91 110.11 1vnd h THR 21 Ca -0.04 -2.36 -0.01 0.00 -0.55 0.00 0.00 66.41 63.45 1vnd h THR 21 Cb 1.08 2.35 0.00 0.00 -1.73 0.00 0.00 68.15 69.86 1vnd h THR 21 CO 0.07 0.63 -0.09 0.22 -0.25 0.00 0.00 175.52 176.10 1vnd h TYR 22 N 0.00 -0.24 -0.02 4.73 3.20 -1.64 -3.03 116.97 119.97 1vnd h TYR 22 Ca -0.01 -0.01 -0.19 0.00 3.14 0.00 0.00 58.73 61.67 1vnd h TYR 22 Cb 1.30 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.64 1vnd h TYR 22 CO 0.00 0.04 -0.83 0.93 -1.64 0.00 0.00 178.16 176.66 1vnd h GLU 23 N -0.50 0.24 -0.12 1.82 4.39 -1.59 -2.82 114.58 116.01 1vnd h GLU 23 Ca -0.03 -0.24 -0.12 0.00 0.34 0.00 0.00 59.36 59.31 1vnd h GLU 23 Cb 0.38 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1vnd h GLU 23 CO 0.04 0.94 -0.40 -0.07 -1.16 0.00 0.00 179.01 178.36 1vnd h LEU 24 N 0.15 0.55 -0.91 1.33 3.38 -1.65 -2.92 115.31 115.23 1vnd h LEU 24 Ca -0.04 -0.61 -0.11 0.00 0.09 0.00 0.00 57.88 57.20 1vnd h LEU 24 Cb 1.43 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 1vnd h LEU 24 CO 0.13 1.07 -0.47 -0.33 0.09 0.00 0.00 178.44 178.93 1vnd h GLU 25 N 0.06 0.16 0.00 1.13 5.08 -1.65 -2.59 114.58 116.77 1vnd h GLU 25 Ca -0.02 -0.08 -0.18 0.00 -1.00 0.00 0.00 59.36 58.08 1vnd h GLU 25 Cb 1.03 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.26 1vnd h GLU 25 CO 0.08 0.60 -0.85 0.07 -1.00 0.00 0.00 179.01 177.92 1vnd h ARG 26 N 0.13 0.00 0.00 2.33 0.11 -1.57 -2.76 114.38 112.61 1vnd h ARG 26 Ca 0.01 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.04 1vnd h ARG 26 Cb 0.89 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.96 1vnd h ARG 26 CO 0.07 0.85 -0.22 0.00 0.10 0.00 0.00 179.97 180.77 1vnd h ARG 27 N 0.00 0.00 0.04 0.08 2.47 -1.60 -3.30 114.38 112.07 1vnd h ARG 27 Ca -0.01 0.00 -0.22 0.00 -1.26 0.00 0.00 59.98 58.49 1vnd h ARG 27 Cb 1.59 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.90 1vnd h ARG 27 CO 0.11 0.22 -1.01 0.35 0.56 0.00 0.00 179.97 180.20 1vnd h PHE 28 N 0.00 0.25 0.13 3.04 3.57 -1.35 -2.75 116.94 119.82 1vnd h PHE 28 Ca -0.00 -0.16 -0.18 0.00 3.53 0.00 0.00 57.97 61.16 1vnd h PHE 28 Cb 1.15 -0.02 0.02 0.00 2.79 0.00 0.00 35.95 39.90 1vnd h PHE 28 CO 0.00 1.06 -0.78 0.00 -2.23 0.00 0.00 178.31 176.36 1vnd h ARG 29 N 0.06 0.31 0.00 1.11 2.47 -1.65 -3.38 114.38 113.30 1vnd h ARG 29 Ca -0.06 -0.50 0.00 0.00 -1.26 0.00 0.00 59.98 58.16 1vnd h ARG 29 Cb 1.71 0.18 0.00 0.00 -1.65 0.00 0.00 29.97 30.21 1vnd h ARG 29 CO 0.15 1.23 -1.00 0.94 0.56 0.00 0.00 179.97 181.85 1vnd n GLN 30 N -4.14 0.50 -4.22 0.04 -0.06 -1.24 -4.99 117.38 103.27 1vnd n GLN 30 Ca -0.13 0.08 -0.18 0.00 -2.00 0.00 0.00 57.00 54.76 1vnd n GLN 30 Cb 0.80 -1.75 -0.07 0.00 -4.06 0.00 0.00 30.24 25.17 1vnd n GLN 30 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 1vnd s GLN 31 N -3.31 1.80 0.00 3.69 -1.52 -1.04 -5.05 119.66 114.23 1vnd s GLN 31 Ca 0.01 -1.93 0.00 0.00 -1.95 0.00 0.00 55.36 51.48 1vnd s GLN 31 Cb 0.11 0.36 0.00 0.00 -0.22 0.00 0.00 33.01 33.27 1vnd s GLN 31 CO 0.79 -0.69 0.00 0.54 -0.25 0.00 0.00 175.29 175.67 1vnd n ARG 32 N -0.60 0.00 0.00 2.91 1.74 -1.26 -4.32 116.66 115.13 1vnd n ARG 32 Ca 0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 1vnd n ARG 32 Cb 0.62 -0.09 0.00 0.00 -1.02 0.00 0.00 32.46 31.97 1vnd n ARG 32 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1vnd n TYR 33 N -1.64 0.00 -1.57 -1.55 4.19 -1.26 -4.88 117.16 110.45 1vnd n TYR 33 Ca 0.00 0.00 -0.42 0.00 3.31 0.00 0.00 57.90 60.79 1vnd n TYR 33 Cb 0.00 0.00 -0.04 0.00 0.49 0.00 0.00 39.34 39.79 1vnd n TYR 33 CO 0.00 0.00 0.00 1.47 0.91 0.00 0.00 176.86 179.24 1vnd n LEU 34 N 0.00 2.89 0.00 2.98 -0.00 -1.26 -5.01 117.00 116.60 1vnd n LEU 34 Ca 0.00 0.07 -0.16 0.00 -0.00 0.00 0.00 56.01 55.92 1vnd n LEU 34 Cb 0.00 -1.52 -0.00 0.00 -0.00 0.00 0.00 43.42 41.90 1vnd n LEU 34 CO 0.00 -0.88 0.03 -0.24 -0.00 0.00 0.00 177.39 176.30 1vnd n SER 35 N 12.39 2.12 -0.27 1.45 2.88 -1.26 -4.78 113.62 126.16 1vnd n SER 35 Ca 0.33 -2.18 0.08 0.00 -1.33 0.00 0.00 58.87 55.77 1vnd n SER 35 Cb 0.44 -0.01 0.21 0.00 -0.75 0.00 0.00 64.21 64.10 1vnd n SER 35 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1vnd h ALA 36 N 0.73 1.01 -0.20 -1.46 0.00 -1.97 -0.64 119.26 116.74 1vnd h ALA 36 Ca -0.22 0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1vnd h ALA 36 Cb 0.78 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1vnd h ALA 36 CO 0.34 -0.39 -0.37 -1.35 0.00 0.00 0.00 179.25 177.48 1vnd h PRO 37 N 0.22 0.43 0.00 0.00 0.11 -2.00 -2.89 132.00 127.87 1vnd h PRO 37 Ca 0.46 -0.20 0.00 0.00 0.11 0.00 0.00 66.00 66.37 1vnd h PRO 37 Cb 0.83 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.94 1vnd h PRO 37 CO -0.59 0.74 -0.91 -0.85 -0.21 0.00 0.00 178.00 176.19 1vnd n GLU 38 N -4.05 0.19 0.05 1.05 0.28 -1.04 -3.72 120.64 113.41 1vnd n GLU 38 Ca -0.01 0.00 -0.05 0.00 -0.16 0.00 0.00 57.16 56.94 1vnd n GLU 38 Cb 0.48 -1.57 -0.09 0.00 1.43 0.00 0.00 31.44 31.69 1vnd n GLU 38 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 177.13 176.88 1vnd h ARG 39 N 0.00 0.00 0.00 3.44 2.43 -1.13 -2.98 114.38 116.14 1vnd h ARG 39 Ca 0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1vnd h ARG 39 Cb 0.66 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1vnd h ARG 39 CO 0.00 0.68 -0.14 0.93 -1.51 0.00 0.00 179.97 179.93 1vnd h GLU 40 N 0.00 0.00 0.00 0.20 4.39 -1.66 -2.91 114.58 114.60 1vnd h GLU 40 Ca -0.10 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.40 1vnd h GLU 40 Cb 1.74 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.35 1vnd h GLU 40 CO 0.09 0.14 -1.09 1.25 -1.16 0.00 0.00 179.01 178.25 1vnd h HIS 41 N 0.00 0.00 0.11 4.33 2.76 -1.64 -2.63 115.15 118.07 1vnd h HIS 41 Ca -0.00 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 1vnd h HIS 41 Cb 1.05 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.01 1vnd h HIS 41 CO 0.00 0.82 -0.05 1.25 -1.30 0.00 0.00 177.93 178.65 1vnd h LEU 42 N 0.00 -0.12 -1.30 0.26 7.12 -1.56 -2.82 115.31 116.89 1vnd h LEU 42 Ca -0.09 -0.38 -0.06 0.00 0.13 0.00 0.00 57.88 57.49 1vnd h LEU 42 Cb 1.70 0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 41.85 1vnd h LEU 42 CO 0.09 0.34 -0.19 0.00 -0.13 0.00 0.00 178.44 178.55 1vnd h ALA 43 N 0.18 1.42 0.00 1.25 0.00 -1.64 -2.45 119.26 118.02 1vnd h ALA 43 Ca -0.01 -0.25 -0.22 0.00 0.00 0.00 0.00 54.91 54.43 1vnd h ALA 43 Cb 0.49 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1vnd h ALA 43 CO 0.02 0.41 -1.24 0.77 0.00 0.00 0.00 179.25 179.21 1vnd h SER 44 N 0.23 0.00 0.35 0.00 0.02 -1.58 0.14 113.55 112.71 1vnd h SER 44 Ca 0.04 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.81 1vnd h SER 44 Cb 0.47 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 1vnd h SER 44 CO 0.03 0.86 -0.76 0.25 -1.14 0.00 0.00 176.83 176.07 1vnd h LEU 45 N 0.00 0.41 0.00 5.07 5.85 -1.48 -3.37 115.31 121.79 1vnd h LEU 45 Ca -0.13 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.29 1vnd h LEU 45 Cb 1.77 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.68 1vnd h LEU 45 CO 0.09 1.03 -1.71 2.30 -0.34 0.00 0.00 178.44 179.80 1vnd n ILE 46 N -3.79 0.07 -0.41 4.05 -5.35 -0.93 -5.06 119.36 107.94 1vnd n ILE 46 Ca -0.04 -0.37 0.00 0.00 -0.27 0.00 0.00 62.75 62.07 1vnd n ILE 46 Cb 0.73 0.09 0.00 0.00 -1.74 0.00 0.00 39.64 38.72 1vnd n ILE 46 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 1vnd n ARG 47 N -2.06 0.00 -2.36 6.28 3.00 -0.81 -4.96 116.66 115.75 1vnd n ARG 47 Ca -0.04 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.77 1vnd n ARG 47 Cb 0.44 -0.43 -0.01 0.00 0.00 0.00 0.00 32.46 32.46 1vnd n ARG 47 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1vnd n LEU 48 N -0.37 0.00 -4.89 6.15 4.77 -0.03 -4.80 117.00 117.84 1vnd n LEU 48 Ca 0.00 -0.47 -0.33 0.00 -0.03 0.00 0.00 56.01 55.17 1vnd n LEU 48 Cb 0.13 0.16 -0.05 0.00 -2.33 0.00 0.00 43.42 41.33 1vnd n LEU 48 CO 0.00 -0.07 0.01 0.42 -1.33 0.00 0.00 177.39 176.42 1vnd s THR 49 N -1.78 5.19 0.58 -5.08 -4.23 -1.26 -4.70 115.64 104.36 1vnd s THR 49 Ca 0.03 0.18 0.37 0.00 -1.18 0.00 0.00 61.69 61.10 1vnd s THR 49 Cb 0.00 -3.62 0.40 0.00 1.34 0.00 0.00 72.50 70.62 1vnd s THR 49 CO 0.02 0.21 2.28 -0.65 -0.54 0.00 0.00 174.62 175.94 1vnd h PRO 50 N 3.42 0.00 0.00 3.99 0.11 -1.95 -3.04 132.00 134.53 1vnd h PRO 50 Ca -0.48 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.43 1vnd h PRO 50 Cb 1.18 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 1vnd h PRO 50 CO 0.69 0.01 -1.36 0.00 -0.21 0.00 0.00 178.00 177.13 1vnd h THR 51 N 0.00 0.75 0.07 -1.15 1.03 -1.99 -3.00 112.91 108.63 1vnd h THR 51 Ca -0.00 -2.36 -0.27 0.00 -0.01 0.00 0.00 66.41 63.77 1vnd h THR 51 Cb 0.07 2.27 -0.02 0.00 -1.07 0.00 0.00 68.15 69.39 1vnd h THR 51 CO 0.00 0.43 -1.37 0.06 -0.01 0.00 0.00 175.52 174.63 1vnd h GLN 52 N 0.00 0.15 -0.43 0.00 3.07 -1.96 -3.00 115.11 112.94 1vnd h GLN 52 Ca -0.17 -0.25 -0.13 0.00 0.09 0.00 0.00 58.65 58.19 1vnd h GLN 52 Cb 1.71 0.09 -0.01 0.00 0.08 0.00 0.00 27.48 29.35 1vnd h GLN 52 CO 0.07 1.01 -0.25 -0.24 0.09 0.00 0.00 178.83 179.50 1vnd h VAL 53 N 0.04 1.27 -0.10 1.86 3.04 -1.68 -2.31 116.25 118.37 1vnd h VAL 53 Ca -0.17 -1.41 0.02 0.00 -1.01 0.00 0.00 66.70 64.13 1vnd h VAL 53 Cb 1.94 1.24 -0.02 0.00 -2.01 0.00 0.00 31.29 32.44 1vnd h VAL 53 CO 0.15 0.48 -0.04 0.50 -1.01 0.00 0.00 177.57 177.65 1vnd h LYS 54 N 0.77 -0.02 -0.00 4.17 1.63 -1.64 -3.00 116.57 118.47 1vnd h LYS 54 Ca 0.09 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.89 1vnd h LYS 54 Cb 0.83 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.47 1vnd h LYS 54 CO 0.07 -0.01 -0.16 -0.89 -3.45 0.00 0.00 179.45 175.01 1vnd n ILE 55 N -5.16 0.00 0.00 2.00 5.41 -1.13 -2.41 119.36 118.07 1vnd n ILE 55 Ca -0.04 -0.07 -0.17 0.00 1.00 0.00 0.00 62.75 63.46 1vnd n ILE 55 Cb 0.09 0.00 -0.11 0.00 -0.71 0.00 0.00 39.64 38.92 1vnd n ILE 55 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 176.55 176.30 1vnd h TRP 56 N 0.62 0.63 0.00 1.39 7.01 -1.35 -3.20 115.95 121.06 1vnd h TRP 56 Ca 0.00 -0.34 0.00 0.00 2.11 0.00 0.00 58.89 60.66 1vnd h TRP 56 Cb 0.41 -0.07 0.00 0.00 -2.10 0.00 0.00 29.16 27.39 1vnd h TRP 56 CO 0.00 1.16 -0.22 1.19 -2.79 0.00 0.00 178.44 177.78 1vnd n PHE 57 N -4.20 0.77 -0.01 2.65 3.01 -1.14 -3.10 117.46 115.44 1vnd n PHE 57 Ca -0.10 0.22 -0.18 0.00 1.01 0.00 0.00 57.45 58.40 1vnd n PHE 57 Cb 0.68 -0.82 -0.09 0.00 -0.01 0.00 0.00 39.48 39.24 1vnd n PHE 57 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 1vnd h GLN 58 N 0.00 0.68 0.00 -1.08 4.15 -1.59 -3.37 115.11 113.89 1vnd h GLN 58 Ca 0.00 -0.61 -0.10 0.00 0.77 0.00 0.00 58.65 58.71 1vnd h GLN 58 Cb 0.73 0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.55 1vnd h GLN 58 CO 0.00 1.22 -1.25 0.09 -1.93 0.00 0.00 178.83 176.96 1vnd n ASN 59 N -4.01 0.86 0.07 -0.69 4.13 -1.21 -4.29 115.26 110.12 1vnd n ASN 59 Ca -0.09 0.36 -0.11 0.00 1.68 0.00 0.00 54.58 56.42 1vnd n ASN 59 Cb 0.74 0.28 -0.02 0.00 -1.54 0.00 0.00 39.78 39.23 1vnd n ASN 59 CO 0.00 0.00 0.00 0.45 0.28 0.00 0.00 177.26 177.99 1vnd h HIS 60 N 0.00 0.51 -0.19 3.10 3.86 -1.72 -3.09 115.15 117.61 1vnd h HIS 60 Ca -0.10 -0.27 0.00 0.00 -1.16 0.00 0.00 60.37 58.84 1vnd h HIS 60 Cb 1.34 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.75 1vnd h HIS 60 CO 0.00 1.08 0.00 2.89 0.86 0.00 0.00 177.93 182.76 1vnd n ARG 61 N -3.73 1.63 -2.66 2.45 1.85 -1.26 -3.91 116.66 111.03 1vnd n ARG 61 Ca -0.05 -0.77 -0.04 0.00 -1.00 0.00 0.00 57.85 55.99 1vnd n ARG 61 Cb 0.81 -1.30 0.05 0.00 -1.05 0.00 0.00 32.46 30.97 1vnd n ARG 61 CO 0.00 0.00 0.00 0.98 -0.01 0.00 0.00 177.63 178.60 1vnd n TYR 62 N 0.12 -0.42 0.00 2.89 9.36 -1.25 -5.07 117.16 122.79 1vnd n TYR 62 Ca 0.07 -0.61 0.00 0.00 3.32 0.00 0.00 57.90 60.68 1vnd n TYR 62 Cb 0.26 1.06 0.00 0.00 -0.63 0.00 0.00 39.34 40.03 1vnd n TYR 62 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1vnd n LYS 63 N 2.22 0.00 -1.75 2.98 3.00 -1.17 -4.99 118.16 118.45 1vnd n LYS 63 Ca 0.08 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.97 1vnd n LYS 63 Cb 0.67 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.70 1vnd n LYS 63 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1vnd n THR 64 N 0.00 3.32 0.71 3.15 -2.24 -1.25 -4.38 114.28 113.59 1vnd n THR 64 Ca 0.00 -2.96 0.00 0.00 -2.27 0.00 0.00 64.05 58.82 1vnd n THR 64 Cb 0.00 -2.56 0.00 0.00 -2.10 0.00 0.00 70.33 65.67 1vnd n THR 64 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1vnd n LYS 65 N 6.40 0.71 0.00 -0.78 2.85 -1.26 -4.68 118.16 121.40 1vnd n LYS 65 Ca 0.51 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.77 1vnd n LYS 65 Cb 0.40 -1.22 0.00 0.00 -0.65 0.00 0.00 35.03 33.55 1vnd n LYS 65 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 1vnd n ARG 66 N 0.46 3.59 -3.33 -1.58 0.63 -1.26 -5.04 116.66 110.12 1vnd n ARG 66 Ca 0.00 0.00 -0.45 0.00 -0.92 0.00 0.00 57.85 56.48 1vnd n ARG 66 Cb 0.29 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 33.20 1vnd n ARG 66 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1vnd n ALA 67 N -3.00 4.26 -3.11 5.13 0.00 -1.26 -4.94 120.51 117.60 1vnd n ALA 67 Ca 0.00 -4.67 -0.40 0.00 0.00 0.00 0.00 53.44 48.37 1vnd n ALA 67 Cb 0.00 -2.44 -0.11 0.00 0.00 0.00 0.00 19.45 16.90 1vnd n ALA 67 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1vnd s GLN 68 N -1.35 2.68 -0.55 0.00 -2.07 -1.26 -4.97 119.66 112.14 1vnd s GLN 68 Ca 0.31 -1.29 0.07 0.00 -1.82 0.00 0.00 55.36 52.63 1vnd s GLN 68 Cb -0.09 -3.72 0.30 0.00 -1.09 0.00 0.00 33.01 28.40 1vnd s GLN 68 CO -0.07 -0.82 0.79 -1.71 -1.32 0.00 0.00 175.29 172.15 1vnd n ASN 69 N 4.93 3.21 -4.88 12.60 5.15 -1.26 -4.63 115.26 130.39 1vnd n ASN 69 Ca -0.11 -3.39 -0.31 0.00 -0.60 0.00 0.00 54.58 50.17 1vnd n ASN 69 Cb 0.44 -0.62 -0.04 0.00 -0.53 0.00 0.00 39.78 39.03 1vnd n ASN 69 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 1vnd s GLU 70 N -2.69 3.79 -0.34 1.20 4.04 -1.26 -4.99 118.70 118.46 1vnd s GLU 70 Ca 0.43 0.33 -0.37 0.00 0.04 0.00 0.00 54.97 55.40 1vnd s GLU 70 Cb 0.23 -2.54 -0.13 0.00 0.02 0.00 0.00 34.13 31.71 1vnd s GLU 70 CO -0.08 0.17 2.10 0.36 -1.84 0.00 0.00 175.26 175.97 1vnd n LYS 71 N -0.67 1.05 -1.21 -4.83 2.85 -1.26 -3.98 118.16 110.12 1vnd n LYS 71 Ca 0.01 0.31 0.00 0.00 -1.05 0.00 0.00 58.31 57.58 1vnd n LYS 71 Cb 0.53 -2.33 0.00 0.00 -0.65 0.00 0.00 35.03 32.58 1vnd n LYS 71 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1vnd n GLY 72 N 6.17 -0.34 0.13 2.58 0.00 -1.26 -5.05 105.19 107.42 1vnd n GLY 72 Ca 0.39 -0.24 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 1vnd n GLY 72 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1vnd h TYR 73 N 0.00 0.39 -0.24 1.61 -0.00 -1.82 -3.24 116.97 113.66 1vnd h TYR 73 Ca 0.00 -0.06 -0.69 0.00 -0.00 0.00 0.00 58.73 57.98 1vnd h TYR 73 Cb 0.17 -0.10 -0.01 0.00 -0.00 0.00 0.00 36.73 36.80 1vnd h TYR 73 CO 0.00 0.54 3.53 0.39 -0.00 0.00 0.00 178.16 182.62 1vnd n GLU 74 N -4.70 3.83 0.00 0.10 1.02 -1.26 -4.32 120.64 115.31 1vnd n GLU 74 Ca -0.04 -2.48 0.00 0.00 -0.02 0.00 0.00 57.16 54.62 1vnd n GLU 74 Cb 0.22 -2.79 0.00 0.00 -0.02 0.00 0.00 31.44 28.85 1vnd n GLU 74 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vnd n GLY 75 N 3.24 0.85 2.83 0.62 0.00 -1.22 -5.05 105.19 106.46 1vnd n GLY 75 Ca 0.74 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 46.43 1vnd n GLY 75 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1vnd s HIS 76 N 0.44 2.41 -2.00 1.61 2.46 -1.26 -5.22 115.29 113.72 1vnd s HIS 76 Ca 0.00 -2.22 0.15 0.00 0.47 0.00 0.00 55.06 53.47 1vnd s HIS 76 Cb 0.00 -2.14 0.90 0.00 -0.13 0.00 0.00 32.58 31.22 1vnd s HIS 76 CO 0.00 -0.89 1.32 -2.30 -2.47 0.00 0.00 174.74 170.40