#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 -0.08 -4.03 0.00 3.41 -1.26 -4.60 113.62 107.06 1vnd n SER 2 Ca 0.00 -1.77 -0.32 0.00 -0.26 0.00 0.00 58.87 56.52 1vnd n SER 2 Cb 0.00 -0.01 -0.15 0.00 -0.26 0.00 0.00 64.21 63.79 1vnd n SER 2 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1vnd s ASP 3 N -1.04 4.80 0.00 4.04 1.01 -1.26 -4.94 116.67 119.29 1vnd s ASP 3 Ca 0.09 -2.12 0.00 0.00 0.71 0.00 0.00 52.55 51.23 1vnd s ASP 3 Cb 0.10 -1.65 0.00 0.00 1.01 0.00 0.00 42.92 42.39 1vnd s ASP 3 CO -0.04 -0.39 0.00 0.61 0.21 0.00 0.00 175.17 175.56 1vnd n GLY 4 N 4.29 1.41 2.36 0.21 0.00 -1.26 -4.68 105.19 107.51 1vnd n GLY 4 Ca 0.03 -0.98 -0.18 0.00 0.00 0.00 0.00 46.02 44.89 1vnd n GLY 4 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1vnd n LEU 5 N 0.00 -0.53 -4.89 0.99 -0.00 -1.26 -5.16 117.00 106.16 1vnd n LEU 5 Ca 0.00 -4.40 -0.30 0.00 -0.00 0.00 0.00 56.01 51.31 1vnd n LEU 5 Cb 0.00 0.73 -0.03 0.00 -0.00 0.00 0.00 43.42 44.12 1vnd n LEU 5 CO 0.00 2.11 0.33 -2.16 -0.00 0.00 0.00 177.39 177.67 1vnd s PRO 6 N -0.97 3.73 0.00 1.47 0.04 -1.26 -5.00 135.00 133.01 1vnd s PRO 6 Ca 0.34 0.28 0.23 0.00 0.04 0.00 0.00 61.00 61.89 1vnd s PRO 6 Cb 0.24 -2.52 0.54 0.00 0.04 0.00 0.00 34.50 32.80 1vnd s PRO 6 CO -0.12 0.10 1.45 0.27 0.04 0.00 0.00 177.00 178.74 1vnd n ASN 7 N -1.01 2.65 -4.49 6.66 6.94 -1.26 -4.72 115.26 120.04 1vnd n ASN 7 Ca 0.01 -1.86 -0.37 0.00 -0.02 0.00 0.00 54.58 52.34 1vnd n ASN 7 Cb 0.54 -0.14 -0.12 0.00 -2.36 0.00 0.00 39.78 37.70 1vnd n ASN 7 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 1vnd s LYS 8 N -1.72 3.74 -0.16 -3.83 -2.85 -1.26 -4.19 119.74 109.46 1vnd s LYS 8 Ca 0.35 -0.44 -0.01 0.00 -1.00 0.00 0.00 55.97 54.87 1vnd s LYS 8 Cb 0.20 -3.37 0.00 0.00 -2.06 0.00 0.00 37.83 32.60 1vnd s LYS 8 CO 0.30 -0.14 0.12 1.63 0.10 0.00 0.00 175.35 177.35 1vnd n LYS 9 N 4.82 -0.83 -3.09 1.78 5.02 -1.26 -4.71 118.16 119.89 1vnd n LYS 9 Ca -0.16 0.10 -0.19 0.00 -2.02 0.00 0.00 58.31 56.04 1vnd n LYS 9 Cb 0.52 -2.99 -0.03 0.00 -0.02 0.00 0.00 35.03 32.50 1vnd n LYS 9 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1vnd n ARG 10 N -1.04 0.79 0.00 1.97 0.63 -1.26 -4.75 116.66 112.99 1vnd n ARG 10 Ca -0.00 -2.93 0.00 0.00 -0.92 0.00 0.00 57.85 54.00 1vnd n ARG 10 Cb 0.51 -1.34 0.00 0.00 0.45 0.00 0.00 32.46 32.08 1vnd n ARG 10 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1vnd n LYS 11 N 1.18 1.21 -0.05 -0.14 5.02 -1.26 -4.98 118.16 119.14 1vnd n LYS 11 Ca 0.19 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.47 1vnd n LYS 11 Cb 0.58 -0.29 -0.01 0.00 -0.02 0.00 0.00 35.03 35.29 1vnd n LYS 11 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1vnd n ARG 12 N -0.32 -0.05 -2.03 1.97 3.00 -1.26 -4.44 116.66 113.52 1vnd n ARG 12 Ca 0.00 0.67 -0.32 0.00 -0.01 0.00 0.00 57.85 58.19 1vnd n ARG 12 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 32.46 31.46 1vnd n ARG 12 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1vnd s ARG 13 N -3.44 3.49 -0.11 5.56 1.81 -1.26 -4.95 118.95 120.05 1vnd s ARG 13 Ca -0.01 1.00 -0.02 0.00 -1.72 0.00 0.00 55.73 54.97 1vnd s ARG 13 Cb 0.01 -2.06 -0.03 0.00 -0.45 0.00 0.00 34.95 32.42 1vnd s ARG 13 CO 0.07 -0.66 -0.01 0.14 -0.68 0.00 0.00 175.30 174.16 1vnd s VAL 14 N -2.74 4.16 -0.20 3.52 -7.23 -1.26 -4.96 120.40 111.69 1vnd s VAL 14 Ca 0.60 -0.29 -0.05 0.00 -1.81 0.00 0.00 61.98 60.42 1vnd s VAL 14 Cb -0.13 -2.77 0.10 0.00 0.56 0.00 0.00 36.38 34.13 1vnd s VAL 14 CO 0.42 0.56 0.37 -0.76 -0.31 0.00 0.00 175.10 175.38 1vnd s LEU 15 N -0.44 -0.56 -0.73 1.32 1.02 -1.26 -5.10 118.68 112.93 1vnd s LEU 15 Ca 0.08 0.70 -0.09 0.00 0.02 0.00 0.00 54.13 54.85 1vnd s LEU 15 Cb -0.12 1.15 0.19 0.00 0.02 0.00 0.00 46.19 47.43 1vnd s LEU 15 CO 0.02 -0.25 0.61 -0.36 0.02 0.00 0.00 176.35 176.39 1vnd s PHE 16 N 2.55 3.58 0.00 0.29 0.08 -1.26 -4.92 117.98 118.31 1vnd s PHE 16 Ca 0.03 -2.33 0.00 0.00 0.12 0.00 0.00 56.93 54.74 1vnd s PHE 16 Cb -0.13 -3.52 0.00 0.00 -0.57 0.00 0.00 43.02 38.80 1vnd s PHE 16 CO -0.13 -0.92 0.00 2.41 -0.10 0.00 0.00 175.22 176.49 1vnd n THR 17 N 3.75 0.00 1.48 0.64 -1.04 -1.26 -5.01 114.28 112.84 1vnd n THR 17 Ca 0.10 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.26 1vnd n THR 17 Cb 0.42 -0.28 0.76 0.00 -1.82 0.00 0.00 70.33 69.41 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 -0.22 0.54 0.12 -2.82 -0.00 -1.26 -2.80 118.16 111.72 1vnd n LYS 18 Ca 0.00 0.01 -0.23 0.00 -0.00 0.00 0.00 58.31 58.09 1vnd n LYS 18 Cb 0.00 -1.50 -0.15 0.00 -0.00 0.00 0.00 35.03 33.38 1vnd n LYS 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1vnd h ALA 19 N 3.48 -0.11 -0.01 0.58 0.00 -1.98 -3.34 119.26 117.88 1vnd h ALA 19 Ca 0.00 -0.81 -0.02 0.00 0.00 0.00 0.00 54.91 54.08 1vnd h ALA 19 Cb 0.20 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1vnd h ALA 19 CO 0.00 0.64 -0.07 1.96 0.00 0.00 0.00 179.25 181.78 1vnd h GLN 20 N 0.11 0.07 0.00 0.00 1.08 -1.87 -3.02 115.11 111.48 1vnd h GLN 20 Ca -0.22 -0.06 -0.13 0.00 -1.45 0.00 0.00 58.65 56.79 1vnd h GLN 20 Cb 2.02 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 29.44 1vnd h GLN 20 CO 0.25 0.75 -0.61 1.79 -0.95 0.00 0.00 178.83 180.06 1vnd h THR 21 N -0.59 1.35 0.22 -0.54 1.35 -1.77 -2.97 112.91 109.95 1vnd h THR 21 Ca -0.01 -2.14 -0.01 0.00 -0.55 0.00 0.00 66.41 63.71 1vnd h THR 21 Cb 0.77 2.18 0.00 0.00 -1.73 0.00 0.00 68.15 69.37 1vnd h THR 21 CO 0.01 0.59 -0.11 0.22 -0.25 0.00 0.00 175.52 175.99 1vnd h TYR 22 N 0.00 -0.28 -0.13 4.73 3.20 -1.68 -3.03 116.97 119.79 1vnd h TYR 22 Ca -0.01 -0.01 -0.18 0.00 3.14 0.00 0.00 58.73 61.68 1vnd h TYR 22 Cb 1.13 0.09 -0.00 0.00 1.54 0.00 0.00 36.73 39.49 1vnd h TYR 22 CO 0.00 0.03 -0.66 0.93 -1.64 0.00 0.00 178.16 176.82 1vnd h GLU 23 N -0.58 0.52 -0.26 1.82 4.39 -1.58 -2.78 114.58 116.11 1vnd h GLU 23 Ca -0.03 -0.38 -0.16 0.00 0.34 0.00 0.00 59.36 59.13 1vnd h GLU 23 Cb 0.43 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1vnd h GLU 23 CO 0.05 1.00 -0.47 -0.07 -1.16 0.00 0.00 179.01 178.37 1vnd h LEU 24 N 0.38 0.86 -0.75 1.33 3.38 -1.65 -2.99 115.31 115.86 1vnd h LEU 24 Ca -0.02 -0.53 -0.13 0.00 0.09 0.00 0.00 57.88 57.29 1vnd h LEU 24 Cb 1.22 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1vnd h LEU 24 CO 0.12 1.23 -0.59 -0.33 0.09 0.00 0.00 178.44 178.96 1vnd h GLU 25 N 0.53 0.12 0.00 1.13 4.39 -1.63 -2.94 114.58 116.17 1vnd h GLU 25 Ca 0.02 -0.08 -0.18 0.00 0.34 0.00 0.00 59.36 59.45 1vnd h GLU 25 Cb 1.07 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.71 1vnd h GLU 25 CO 0.11 0.67 -0.87 0.07 -1.16 0.00 0.00 179.01 177.83 1vnd h ARG 26 N 0.09 0.00 0.00 2.33 0.11 -1.52 -2.82 114.38 112.56 1vnd h ARG 26 Ca -0.01 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.95 1vnd h ARG 26 Cb 1.06 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.12 1vnd h ARG 26 CO 0.08 0.87 -0.59 0.00 0.10 0.00 0.00 179.97 180.43 1vnd h ARG 27 N 0.00 0.00 0.00 0.08 2.47 -1.66 -3.35 114.38 111.93 1vnd h ARG 27 Ca -0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1vnd h ARG 27 Cb 1.59 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.91 1vnd h ARG 27 CO 0.11 0.59 0.00 0.35 0.56 0.00 0.00 179.97 181.58 1vnd h PHE 28 N 0.00 0.00 -0.06 3.04 3.57 -1.34 -1.64 116.94 120.51 1vnd h PHE 28 Ca -0.01 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.37 1vnd h PHE 28 Cb 1.39 0.00 0.01 0.00 2.79 0.00 0.00 35.95 40.14 1vnd h PHE 28 CO 0.00 0.00 -0.46 0.00 -2.23 0.00 0.00 178.31 175.62 1vnd h ARG 29 N 0.00 0.42 0.00 1.11 2.47 -1.63 -3.38 114.38 113.37 1vnd h ARG 29 Ca 0.00 -0.37 -0.08 0.00 -1.26 0.00 0.00 59.98 58.27 1vnd h ARG 29 Cb 0.56 0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.95 1vnd h ARG 29 CO 0.00 1.02 -1.47 0.94 0.56 0.00 0.00 179.97 181.02 1vnd n GLN 30 N -4.30 0.63 -3.92 0.04 -0.06 -1.21 -5.00 117.38 103.55 1vnd n GLN 30 Ca -0.09 0.06 -0.08 0.00 -2.00 0.00 0.00 57.00 54.89 1vnd n GLN 30 Cb 0.59 -1.72 -0.03 0.00 -4.06 0.00 0.00 30.24 25.01 1vnd n GLN 30 CO 0.00 0.00 0.00 1.14 -0.20 0.00 0.00 177.06 178.00 1vnd s GLN 31 N -3.21 1.70 -0.16 3.69 0.00 -0.62 -5.05 119.66 116.02 1vnd s GLN 31 Ca -0.04 -1.14 0.08 0.00 -0.00 0.00 0.00 55.36 54.26 1vnd s GLN 31 Cb 0.10 0.55 -0.15 0.00 0.00 0.00 0.00 33.01 33.50 1vnd s GLN 31 CO 0.83 -0.75 -0.04 0.54 0.00 0.00 0.00 175.29 175.87 1vnd n ARG 32 N -0.43 1.15 -4.24 9.60 1.74 -1.26 -3.94 116.66 119.27 1vnd n ARG 32 Ca -0.03 0.04 -0.17 0.00 -0.77 0.00 0.00 57.85 56.92 1vnd n ARG 32 Cb 0.60 -1.37 -0.14 0.00 -1.02 0.00 0.00 32.46 30.54 1vnd n ARG 32 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 1vnd s TYR 33 N -2.36 0.75 0.00 -1.55 1.13 -1.26 -4.92 117.35 109.13 1vnd s TYR 33 Ca -0.15 -0.23 0.00 0.00 -1.41 0.00 0.00 57.07 55.28 1vnd s TYR 33 Cb 0.05 -0.46 0.00 0.00 -1.10 0.00 0.00 41.96 40.45 1vnd s TYR 33 CO 0.52 -0.02 0.00 1.28 -2.51 0.00 0.00 175.55 174.82 1vnd n LEU 34 N 2.46 0.00 0.00 -3.49 4.32 -1.26 -5.15 117.00 113.88 1vnd n LEU 34 Ca -0.16 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.83 1vnd n LEU 34 Cb 0.56 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.36 1vnd n LEU 34 CO 0.24 0.00 0.00 -1.20 -1.22 0.00 0.00 177.39 175.21 1vnd n SER 35 N 0.00 0.00 -0.01 -1.43 7.64 -1.26 -5.04 113.62 113.53 1vnd n SER 35 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 1vnd n SER 35 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 1vnd n SER 35 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vnd h ALA 36 N 1.80 -0.10 0.00 -0.43 0.00 -2.01 -3.02 119.26 115.50 1vnd h ALA 36 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1vnd h ALA 36 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1vnd h ALA 36 CO 0.00 -0.15 0.00 -2.30 0.00 0.00 0.00 179.25 176.80 1vnd n PRO 37 N -4.80 0.01 -0.02 0.00 -0.02 -1.26 -2.88 135.00 126.03 1vnd n PRO 37 Ca -0.07 0.19 0.06 0.00 -2.02 0.00 0.00 63.50 61.66 1vnd n PRO 37 Cb 0.28 -1.52 -0.16 0.00 -0.02 0.00 0.00 33.50 32.08 1vnd n PRO 37 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1vnd n GLU 38 N -1.54 0.66 0.03 -0.52 0.28 -1.26 -3.54 120.64 114.75 1vnd n GLU 38 Ca 0.04 -0.13 -0.08 0.00 -0.16 0.00 0.00 57.16 56.84 1vnd n GLU 38 Cb 0.22 -1.54 -0.13 0.00 1.43 0.00 0.00 31.44 31.42 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 0.01 0.00 3.44 1.12 -1.47 -3.04 114.38 114.44 1vnd h ARG 39 Ca -0.13 -0.01 -0.07 0.00 -1.11 0.00 0.00 59.98 58.66 1vnd h ARG 39 Cb 1.30 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.26 1vnd h ARG 39 CO 0.01 0.82 -0.47 0.93 -3.11 0.00 0.00 179.97 178.15 1vnd h GLU 40 N 0.00 0.00 0.00 0.20 5.08 -1.72 -2.85 114.58 115.29 1vnd h GLU 40 Ca -0.11 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.08 1vnd h GLU 40 Cb 1.86 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.09 1vnd h GLU 40 CO 0.11 0.27 -1.06 1.25 -1.00 0.00 0.00 179.01 178.59 1vnd h HIS 41 N 0.00 0.00 0.00 4.33 2.76 -1.69 -2.77 115.15 117.78 1vnd h HIS 41 Ca -0.02 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.04 1vnd h HIS 41 Cb 1.25 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.19 1vnd h HIS 41 CO 0.00 0.65 -0.53 1.25 -1.30 0.00 0.00 177.93 178.01 1vnd h LEU 42 N 0.00 0.00 0.03 0.26 7.12 -1.59 -2.44 115.31 118.70 1vnd h LEU 42 Ca -0.10 0.00 -0.23 0.00 0.13 0.00 0.00 57.88 57.68 1vnd h LEU 42 Cb 1.58 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 41.69 1vnd h LEU 42 CO 0.07 0.53 -1.11 0.00 -0.13 0.00 0.00 178.44 177.79 1vnd h ALA 43 N 1.47 0.32 0.00 1.25 0.00 -1.51 -2.63 119.26 118.15 1vnd h ALA 43 Ca -0.01 -0.94 -0.12 0.00 0.00 0.00 0.00 54.91 53.84 1vnd h ALA 43 Cb 1.19 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1vnd h ALA 43 CO 0.07 1.21 -0.62 0.77 0.00 0.00 0.00 179.25 180.67 1vnd h SER 44 N 0.02 0.00 0.00 0.00 0.02 -1.54 -0.59 113.55 111.46 1vnd h SER 44 Ca -0.06 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.64 1vnd h SER 44 Cb 1.84 0.00 0.02 0.00 0.14 0.00 0.00 62.40 64.39 1vnd h SER 44 CO 0.14 0.56 -0.94 0.25 -1.14 0.00 0.00 176.83 175.71 1vnd h LEU 45 N 0.00 0.87 0.00 5.07 6.46 -1.51 -3.37 115.31 122.84 1vnd h LEU 45 Ca -0.02 -0.65 0.00 0.00 -0.12 0.00 0.00 57.88 57.09 1vnd h LEU 45 Cb 1.44 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 41.11 1vnd h LEU 45 CO 0.07 1.45 -1.39 2.30 -0.62 0.00 0.00 178.44 180.25 1vnd n ILE 46 N -3.87 0.00 -1.15 4.05 -5.35 -0.99 -5.01 119.36 107.04 1vnd n ILE 46 Ca -0.09 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.15 1vnd n ILE 46 Cb 0.83 0.54 0.00 0.00 -1.74 0.00 0.00 39.64 39.28 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 -1.81 0.00 -4.61 6.28 3.00 -0.80 -4.95 116.66 113.77 1vnd n ARG 47 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.85 57.53 1vnd n ARG 47 Cb 0.41 -1.63 -0.06 0.00 0.00 0.00 0.00 32.46 31.17 1vnd n ARG 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1vnd s LEU 48 N -0.21 2.37 0.06 6.15 1.02 -0.29 -4.72 118.68 123.05 1vnd s LEU 48 Ca 0.00 -1.58 -0.13 0.00 0.02 0.00 0.00 54.13 52.44 1vnd s LEU 48 Cb 0.00 -0.81 -0.06 0.00 0.02 0.00 0.00 46.19 45.34 1vnd s LEU 48 CO 0.00 -0.89 0.43 0.42 0.02 0.00 0.00 176.35 176.33 1vnd s THR 49 N -2.86 5.02 0.30 5.49 -4.23 -1.26 -4.47 115.64 113.63 1vnd s THR 49 Ca 0.11 0.67 0.35 0.00 -1.18 0.00 0.00 61.69 61.64 1vnd s THR 49 Cb 0.01 -3.69 0.36 0.00 1.34 0.00 0.00 72.50 70.52 1vnd s THR 49 CO 0.06 0.39 2.09 -0.65 -0.54 0.00 0.00 174.62 175.97 1vnd h PRO 50 N 4.06 0.00 0.03 3.99 0.11 -1.91 -2.95 132.00 135.33 1vnd h PRO 50 Ca -0.50 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.34 1vnd h PRO 50 Cb 1.20 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 1vnd h PRO 50 CO 0.64 0.00 -1.48 0.00 -0.21 0.00 0.00 178.00 176.96 1vnd h THR 51 N 0.00 1.15 0.12 -1.15 1.03 -1.98 -2.93 112.91 109.16 1vnd h THR 51 Ca 0.00 -2.92 -0.28 0.00 -0.01 0.00 0.00 66.41 63.20 1vnd h THR 51 Cb 0.04 2.61 0.00 0.00 -1.07 0.00 0.00 68.15 69.74 1vnd h THR 51 CO 0.00 0.71 -1.28 0.06 -0.01 0.00 0.00 175.52 175.00 1vnd h GLN 52 N 0.02 0.25 -0.21 0.00 3.07 -1.94 -3.01 115.11 113.28 1vnd h GLN 52 Ca -0.20 -0.43 -0.15 0.00 0.09 0.00 0.00 58.65 57.96 1vnd h GLN 52 Cb 1.94 0.16 -0.01 0.00 0.08 0.00 0.00 27.48 29.65 1vnd h GLN 52 CO 0.11 1.18 -0.50 -0.24 0.09 0.00 0.00 178.83 179.47 1vnd h VAL 53 N 0.07 1.31 -0.21 1.86 3.04 -1.68 -2.40 116.25 118.24 1vnd h VAL 53 Ca -0.15 -1.73 0.03 0.00 -1.01 0.00 0.00 66.70 63.85 1vnd h VAL 53 Cb 1.97 1.70 -0.03 0.00 -2.01 0.00 0.00 31.29 32.92 1vnd h VAL 53 CO 0.19 0.54 0.01 0.50 -1.01 0.00 0.00 177.57 177.80 1vnd h LYS 54 N 0.45 0.08 -0.00 4.17 1.63 -1.60 -2.90 116.57 118.40 1vnd h LYS 54 Ca 0.02 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1vnd h LYS 54 Cb 1.04 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.65 1vnd h LYS 54 CO 0.10 0.05 -0.13 -0.89 -3.45 0.00 0.00 179.45 175.13 1vnd n ILE 55 N -5.12 0.00 0.01 2.00 5.41 -1.14 -2.24 119.36 118.27 1vnd n ILE 55 Ca -0.02 -0.02 -0.18 0.00 1.00 0.00 0.00 62.75 63.53 1vnd n ILE 55 Cb 0.11 -0.22 -0.10 0.00 -0.71 0.00 0.00 39.64 38.71 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 0.19 0.84 0.00 1.39 7.01 -1.34 -3.20 115.95 120.84 1vnd h TRP 56 Ca 0.00 -0.43 0.00 0.00 2.11 0.00 0.00 58.89 60.57 1vnd h TRP 56 Cb 0.42 -0.11 0.00 0.00 -2.10 0.00 0.00 29.16 27.37 1vnd h TRP 56 CO 0.00 1.25 -0.31 1.19 -2.79 0.00 0.00 178.44 177.78 1vnd n PHE 57 N -4.06 0.37 0.10 2.65 3.72 -1.10 -2.95 117.46 116.19 1vnd n PHE 57 Ca -0.10 0.11 -0.23 0.00 -0.05 0.00 0.00 57.45 57.18 1vnd n PHE 57 Cb 0.74 -0.58 -0.13 0.00 -0.94 0.00 0.00 39.48 38.57 1vnd n PHE 57 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1vnd h GLN 58 N 0.00 0.61 0.00 -1.08 4.15 -1.56 -3.36 115.11 113.87 1vnd h GLN 58 Ca 0.00 -0.84 -0.14 0.00 0.77 0.00 0.00 58.65 58.44 1vnd h GLN 58 Cb 0.62 0.28 -0.02 0.00 0.21 0.00 0.00 27.48 28.57 1vnd h GLN 58 CO 0.00 1.39 -1.16 -0.91 -1.93 0.00 0.00 178.83 176.21 1vnd h ASN 59 N 0.24 0.00 0.42 -0.69 2.35 -1.63 -3.38 115.58 112.88 1vnd h ASN 59 Ca -0.20 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.34 1vnd h ASN 59 Cb 1.94 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 40.31 1vnd h ASN 59 CO 0.24 0.52 -0.91 0.45 -1.65 0.00 0.00 177.43 176.08 1vnd h HIS 60 N 0.00 0.50 -0.46 1.19 3.86 -1.71 -3.38 115.15 115.14 1vnd h HIS 60 Ca -0.11 -0.27 -0.29 0.00 -1.16 0.00 0.00 60.37 58.54 1vnd h HIS 60 Cb 1.50 -0.06 -0.11 0.00 1.06 0.00 0.00 27.41 29.80 1vnd h HIS 60 CO 0.00 1.08 0.14 2.89 0.86 0.00 0.00 177.93 182.91 1vnd n ARG 61 N -3.72 1.90 0.00 2.45 1.85 -1.26 -4.43 116.66 113.45 1vnd n ARG 61 Ca -0.06 -1.40 0.00 0.00 -1.00 0.00 0.00 57.85 55.39 1vnd n ARG 61 Cb 0.82 -1.77 0.00 0.00 -1.05 0.00 0.00 32.46 30.46 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 1.23 0.00 0.00 2.89 9.36 -1.26 -5.05 117.16 124.32 1vnd n TYR 62 Ca 0.34 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.56 1vnd n TYR 62 Cb 0.64 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.35 1vnd n TYR 62 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1vnd n LYS 63 N 0.00 0.00 -0.04 2.98 4.01 -1.26 -5.06 118.16 118.79 1vnd n LYS 63 Ca 0.00 0.00 -0.12 0.00 -0.51 0.00 0.00 58.31 57.68 1vnd n LYS 63 Cb 0.00 0.00 -0.14 0.00 -0.51 0.00 0.00 35.03 34.38 1vnd n LYS 63 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1vnd n THR 64 N 0.00 1.58 -2.18 -0.18 -1.04 -1.26 -4.06 114.28 107.14 1vnd n THR 64 Ca 0.00 -0.76 -0.41 0.00 -2.04 0.00 0.00 64.05 60.84 1vnd n THR 64 Cb 0.00 -1.08 0.00 0.00 -1.82 0.00 0.00 70.33 67.43 1vnd n THR 64 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1vnd n LYS 65 N -3.08 4.48 -2.64 -2.82 4.76 -1.26 -4.68 118.16 112.91 1vnd n LYS 65 Ca -0.26 -3.66 -0.11 0.00 -2.87 0.00 0.00 58.31 51.41 1vnd n LYS 65 Cb 1.07 -2.67 0.03 0.00 -1.84 0.00 0.00 35.03 31.62 1vnd n LYS 65 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1vnd n ARG 66 N 1.97 1.53 -0.04 1.97 3.00 -1.26 -4.72 116.66 119.12 1vnd n ARG 66 Ca 0.54 -3.45 0.04 0.00 -0.00 0.00 0.00 57.85 54.98 1vnd n ARG 66 Cb 0.28 -1.42 -0.16 0.00 0.00 0.00 0.00 32.46 31.15 1vnd n ARG 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1vnd n ALA 67 N -0.17 2.37 0.17 5.13 0.00 -1.26 -4.07 120.51 122.68 1vnd n ALA 67 Ca 0.13 -0.76 0.04 0.00 0.00 0.00 0.00 53.44 52.85 1vnd n ALA 67 Cb 0.80 -0.54 0.46 0.00 0.00 0.00 0.00 19.45 20.17 1vnd n ALA 67 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1vnd h GLN 68 N 0.00 0.13 -2.27 0.00 3.07 -1.93 -3.26 115.11 110.86 1vnd h GLN 68 Ca -0.17 -0.02 -0.58 0.00 0.09 0.00 0.00 58.65 57.96 1vnd h GLN 68 Cb 1.38 -0.02 -0.39 0.00 0.08 0.00 0.00 27.48 28.52 1vnd h GLN 68 CO 0.01 0.26 -0.94 -1.71 0.09 0.00 0.00 178.83 176.54 1vnd n ASN 69 N -4.33 0.75 -4.77 0.06 5.15 -1.26 -3.60 115.26 107.26 1vnd n ASN 69 Ca -0.01 -2.74 -0.37 0.00 -0.60 0.00 0.00 54.58 50.85 1vnd n ASN 69 Cb 0.23 -0.63 -0.07 0.00 -0.53 0.00 0.00 39.78 38.79 1vnd n ASN 69 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1vnd s GLU 70 N -0.97 4.08 -0.23 1.20 2.02 -1.23 -4.90 118.70 118.67 1vnd s GLU 70 Ca 0.34 0.14 -0.39 0.00 0.02 0.00 0.00 54.97 55.08 1vnd s GLU 70 Cb 0.10 -3.35 -0.15 0.00 0.10 0.00 0.00 34.13 30.83 1vnd s GLU 70 CO -0.13 0.40 1.76 0.36 0.02 0.00 0.00 175.26 177.67 1vnd n LYS 71 N 3.01 1.36 0.00 1.61 -0.00 -1.26 -4.33 118.16 118.56 1vnd n LYS 71 Ca -0.13 0.50 0.00 0.00 -0.00 0.00 0.00 58.31 58.68 1vnd n LYS 71 Cb 0.52 -2.22 0.00 0.00 -0.00 0.00 0.00 35.03 33.34 1vnd n LYS 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1vnd n GLY 72 N 4.20 -1.43 0.00 2.58 0.00 -1.26 -5.09 105.19 104.18 1vnd n GLY 72 Ca 0.25 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.81 1vnd n GLY 72 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1vnd n TYR 73 N 0.00 0.00 -3.24 1.61 0.18 -1.26 -5.12 117.16 109.32 1vnd n TYR 73 Ca 0.00 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.44 1vnd n TYR 73 Cb 0.00 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 38.92 1vnd n TYR 73 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 1vnd n GLU 74 N 0.00 3.41 -3.09 -3.48 -0.58 -1.26 -4.81 120.64 110.83 1vnd n GLU 74 Ca 0.00 -4.62 0.04 0.00 -0.42 0.00 0.00 57.16 52.16 1vnd n GLU 74 Cb 0.00 -2.38 -0.00 0.00 -0.57 0.00 0.00 31.44 28.49 1vnd n GLU 74 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1vnd s GLY 75 N -2.09 -1.21 -0.06 0.62 0.00 -1.24 -4.65 107.32 98.70 1vnd s GLY 75 Ca 0.35 1.29 0.04 0.00 0.00 0.00 0.00 44.72 46.41 1vnd s GLY 75 CO 0.04 3.94 -0.18 -1.58 0.00 0.00 0.00 173.10 175.33 1vnd s HIS 76 N 2.52 2.62 -2.00 1.90 5.04 -1.26 -4.66 115.29 119.45 1vnd s HIS 76 Ca 0.18 -0.36 0.24 0.00 -1.54 0.00 0.00 55.06 53.58 1vnd s HIS 76 Cb -0.04 -1.64 1.41 0.00 0.04 0.00 0.00 32.58 32.35 1vnd s HIS 76 CO -0.19 0.03 1.77 -0.35 -2.34 0.00 0.00 174.74 173.66