#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 -0.13 -3.59 0.00 7.64 -1.26 -4.43 113.62 111.85 1vnd n SER 2 Ca 0.00 -1.89 -0.29 0.00 1.01 0.00 0.00 58.87 57.70 1vnd n SER 2 Cb 0.00 0.02 -0.15 0.00 -1.01 0.00 0.00 64.21 63.07 1vnd n SER 2 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 1vnd s ASP 3 N -1.23 3.40 0.00 6.43 1.47 -1.26 -4.86 116.67 120.62 1vnd s ASP 3 Ca 0.12 -1.22 0.00 0.00 1.18 0.00 0.00 52.55 52.63 1vnd s ASP 3 Cb 0.13 -0.42 0.00 0.00 -0.34 0.00 0.00 42.92 42.29 1vnd s ASP 3 CO -0.06 -0.42 0.00 0.61 0.68 0.00 0.00 175.17 175.99 1vnd n GLY 4 N 5.18 1.53 3.63 2.12 0.00 -1.26 -4.95 105.19 111.44 1vnd n GLY 4 Ca -0.06 0.32 -0.01 0.00 0.00 0.00 0.00 46.02 46.27 1vnd n GLY 4 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1vnd s LEU 5 N 0.00 -0.11 0.23 0.99 2.34 -1.26 -4.00 118.68 116.87 1vnd s LEU 5 Ca 0.00 -0.15 -0.30 0.00 0.06 0.00 0.00 54.13 53.74 1vnd s LEU 5 Cb 0.00 1.55 -0.09 0.00 -0.56 0.00 0.00 46.19 47.09 1vnd s LEU 5 CO 0.00 -0.41 0.97 -2.16 -1.06 0.00 0.00 176.35 173.69 1vnd s PRO 6 N -2.61 4.80 -0.50 1.48 0.04 -1.26 -4.99 135.00 131.97 1vnd s PRO 6 Ca 0.12 1.53 0.04 0.00 0.04 0.00 0.00 61.00 62.74 1vnd s PRO 6 Cb 0.02 -3.28 0.42 0.00 0.04 0.00 0.00 34.50 31.70 1vnd s PRO 6 CO -0.03 0.43 1.36 -1.71 0.04 0.00 0.00 177.00 177.09 1vnd n ASN 7 N 1.63 5.48 0.00 6.66 2.85 -1.26 -4.05 115.26 126.57 1vnd n ASN 7 Ca -0.01 -3.75 0.00 0.00 -0.11 0.00 0.00 54.58 50.70 1vnd n ASN 7 Cb 0.47 -0.58 0.00 0.00 1.24 0.00 0.00 39.78 40.91 1vnd n ASN 7 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1vnd n LYS 8 N -0.57 1.49 -4.24 1.20 5.02 -1.26 -5.07 118.16 114.73 1vnd n LYS 8 Ca 0.45 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.42 1vnd n LYS 8 Cb 0.65 -0.62 -0.09 0.00 -0.02 0.00 0.00 35.03 34.96 1vnd n LYS 8 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1vnd s LYS 9 N -1.12 2.56 0.26 1.97 -0.14 -1.26 -5.14 119.74 116.87 1vnd s LYS 9 Ca 0.00 -0.78 0.02 0.00 -1.36 0.00 0.00 55.97 53.85 1vnd s LYS 9 Cb 0.00 -2.54 0.02 0.00 -1.68 0.00 0.00 37.83 33.63 1vnd s LYS 9 CO 0.00 0.57 0.19 0.54 -0.76 0.00 0.00 175.35 175.89 1vnd n ARG 10 N 0.96 1.12 -3.39 1.68 1.74 -1.24 -4.83 116.66 112.69 1vnd n ARG 10 Ca -0.13 -1.61 -0.27 0.00 -0.77 0.00 0.00 57.85 55.08 1vnd n ARG 10 Cb 0.52 0.18 -0.10 0.00 -1.02 0.00 0.00 32.46 32.04 1vnd n ARG 10 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1vnd n LYS 11 N -1.09 0.33 0.00 5.56 5.02 -1.26 -4.52 118.16 122.20 1vnd n LYS 11 Ca -0.01 -3.25 0.00 0.00 -2.02 0.00 0.00 58.31 53.03 1vnd n LYS 11 Cb 0.29 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 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 2.63 0.86 -2.72 1.97 1.74 -1.26 -4.95 116.66 114.94 1vnd n ARG 12 Ca 0.29 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 57.15 1vnd n ARG 12 Cb 0.48 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 31.98 1vnd n ARG 12 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1vnd s ARG 13 N 1.44 2.30 0.19 5.56 1.04 -1.26 -4.82 118.95 123.40 1vnd s ARG 13 Ca 0.00 -1.04 0.06 0.00 -1.04 0.00 0.00 55.73 53.71 1vnd s ARG 13 Cb 0.00 -2.50 -0.04 0.00 -2.04 0.00 0.00 34.95 30.38 1vnd s ARG 13 CO 0.00 -0.89 0.14 0.14 -0.04 0.00 0.00 175.30 174.65 1vnd s VAL 14 N -2.81 4.39 -0.30 4.99 -7.23 -1.26 -4.74 120.40 113.44 1vnd s VAL 14 Ca 0.60 -1.20 -0.17 0.00 -1.81 0.00 0.00 61.98 59.40 1vnd s VAL 14 Cb -0.08 -3.27 0.19 0.00 0.56 0.00 0.00 36.38 33.77 1vnd s VAL 14 CO 0.39 -0.17 1.18 -1.48 -0.31 0.00 0.00 175.10 174.72 1vnd s LEU 15 N -3.27 -0.21 -0.44 1.32 2.34 -1.26 -5.13 118.68 112.03 1vnd s LEU 15 Ca 0.31 0.34 -0.09 0.00 0.06 0.00 0.00 54.13 54.75 1vnd s LEU 15 Cb -0.09 1.32 0.09 0.00 -0.56 0.00 0.00 46.19 46.95 1vnd s LEU 15 CO 0.23 -0.05 0.29 -0.36 -1.06 0.00 0.00 176.35 175.40 1vnd s PHE 16 N 0.99 3.36 0.00 3.48 0.08 -1.26 -4.93 117.98 119.71 1vnd s PHE 16 Ca -0.06 -1.62 0.00 0.00 0.12 0.00 0.00 56.93 55.37 1vnd s PHE 16 Cb -0.03 -3.14 0.00 0.00 -0.57 0.00 0.00 43.02 39.28 1vnd s PHE 16 CO -0.12 -0.89 0.00 2.41 -0.10 0.00 0.00 175.22 176.52 1vnd n THR 17 N 4.93 0.00 0.75 0.64 -1.04 -1.26 -5.06 114.28 113.24 1vnd n THR 17 Ca -0.09 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.03 1vnd n THR 17 Cb 0.42 0.00 0.49 0.00 -1.82 0.00 0.00 70.33 69.42 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 0.00 0.05 0.09 -2.82 2.85 -1.26 -2.90 118.16 114.17 1vnd n LYS 18 Ca 0.00 0.14 -0.14 0.00 -1.05 0.00 0.00 58.31 57.26 1vnd n LYS 18 Cb 0.00 -1.57 -0.10 0.00 -0.65 0.00 0.00 35.03 32.71 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 2.73 0.23 0.04 0.58 0.00 -1.98 -3.19 119.26 117.65 1vnd h ALA 19 Ca 0.00 -0.83 -0.17 0.00 0.00 0.00 0.00 54.91 53.92 1vnd h ALA 19 Cb 0.44 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.23 1vnd h ALA 19 CO 0.00 0.94 -0.68 1.96 0.00 0.00 0.00 179.25 181.47 1vnd h GLN 20 N 0.11 0.40 0.00 0.00 1.08 -1.89 -3.02 115.11 111.79 1vnd h GLN 20 Ca -0.10 -0.48 -0.13 0.00 -1.45 0.00 0.00 58.65 56.49 1vnd h GLN 20 Cb 1.81 0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 29.37 1vnd h GLN 20 CO 0.18 1.15 -0.64 1.79 -0.95 0.00 0.00 178.83 180.36 1vnd h THR 21 N -0.15 1.34 0.08 -0.54 1.35 -1.72 -2.94 112.91 110.33 1vnd h THR 21 Ca -0.10 -2.27 -0.00 0.00 -0.55 0.00 0.00 66.41 63.49 1vnd h THR 21 Cb 1.42 2.27 0.00 0.00 -1.73 0.00 0.00 68.15 70.10 1vnd h THR 21 CO 0.13 0.62 -0.04 0.22 -0.25 0.00 0.00 175.52 176.21 1vnd h TYR 22 N 0.00 -0.10 -0.04 4.73 3.20 -1.63 -3.02 116.97 120.11 1vnd h TYR 22 Ca -0.01 -0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.67 1vnd h TYR 22 Cb 1.22 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.51 1vnd h TYR 22 CO 0.00 0.19 -0.80 0.93 -1.64 0.00 0.00 178.16 176.84 1vnd h GLU 23 N -0.39 0.33 -0.09 1.82 4.39 -1.58 -2.74 114.58 116.32 1vnd h GLU 23 Ca -0.01 -0.30 -0.18 0.00 0.34 0.00 0.00 59.36 59.20 1vnd h GLU 23 Cb 0.33 0.07 0.01 0.00 -0.10 0.00 0.00 28.75 29.07 1vnd h GLU 23 CO 0.02 0.97 -0.65 -0.07 -1.16 0.00 0.00 179.01 178.11 1vnd h LEU 24 N 0.21 0.73 -1.02 1.33 3.38 -1.64 -2.97 115.31 115.32 1vnd h LEU 24 Ca -0.04 -0.67 -0.10 0.00 0.09 0.00 0.00 57.88 57.16 1vnd h LEU 24 Cb 1.39 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1vnd h LEU 24 CO 0.13 1.29 -0.45 -0.33 0.09 0.00 0.00 178.44 179.17 1vnd h GLU 25 N 0.23 0.09 0.01 1.13 5.08 -1.65 -2.73 114.58 116.74 1vnd h GLU 25 Ca -0.06 -0.04 -0.20 0.00 -1.00 0.00 0.00 59.36 58.06 1vnd h GLU 25 Cb 1.31 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.54 1vnd h GLU 25 CO 0.13 0.52 -0.91 0.07 -1.00 0.00 0.00 179.01 177.83 1vnd h ARG 26 N 0.08 0.07 0.00 2.33 0.11 -1.54 -2.74 114.38 112.69 1vnd h ARG 26 Ca 0.00 -0.09 0.00 0.00 0.10 0.00 0.00 59.98 60.00 1vnd h ARG 26 Cb 0.82 0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.93 1vnd h ARG 26 CO 0.06 0.93 0.00 0.00 0.10 0.00 0.00 179.97 181.06 1vnd h ARG 27 N 0.03 0.00 -0.00 0.08 2.47 -1.62 -3.31 114.38 112.03 1vnd h ARG 27 Ca -0.03 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.53 1vnd h ARG 27 Cb 1.58 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.88 1vnd h ARG 27 CO 0.13 0.00 -0.78 0.35 0.56 0.00 0.00 179.97 180.23 1vnd h PHE 28 N 0.00 0.05 0.06 3.04 3.57 -1.27 -3.12 116.94 119.28 1vnd h PHE 28 Ca 0.00 -0.03 -0.36 0.00 3.53 0.00 0.00 57.97 61.11 1vnd h PHE 28 Cb 0.81 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.51 1vnd h PHE 28 CO 0.00 0.80 -2.11 -2.13 -2.23 0.00 0.00 178.31 172.64 1vnd n ARG 29 N -3.64 0.71 0.04 1.11 3.00 -1.05 -4.32 116.66 112.51 1vnd n ARG 29 Ca -0.01 0.22 0.05 0.00 -0.00 0.00 0.00 57.85 58.10 1vnd n ARG 29 Cb 0.75 -1.66 -0.07 0.00 0.00 0.00 0.00 32.46 31.47 1vnd n ARG 29 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1vnd n GLN 30 N -3.29 0.63 -4.40 -0.14 -0.06 -1.24 -2.55 117.38 106.31 1vnd n GLN 30 Ca -0.33 0.11 -0.20 0.00 -2.00 0.00 0.00 57.00 54.57 1vnd n GLN 30 Cb 1.04 -1.75 -0.10 0.00 -4.06 0.00 0.00 30.24 25.37 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 -3.14 1.50 0.00 3.69 -1.52 -1.18 -4.68 119.66 114.35 1vnd s GLN 31 Ca -0.03 -1.77 0.00 0.00 -1.95 0.00 0.00 55.36 51.60 1vnd s GLN 31 Cb 0.10 -0.98 0.00 0.00 -0.22 0.00 0.00 33.01 31.91 1vnd s GLN 31 CO 0.82 -0.02 0.00 0.54 -0.25 0.00 0.00 175.29 176.38 1vnd n ARG 32 N -0.55 0.00 -2.69 2.91 1.74 -1.23 -4.17 116.66 112.67 1vnd n ARG 32 Ca -0.05 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.95 1vnd n ARG 32 Cb 0.64 -0.28 0.04 0.00 -1.02 0.00 0.00 32.46 31.84 1vnd n ARG 32 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1vnd n TYR 33 N -0.97 -1.04 0.00 -1.55 4.02 -1.26 -4.78 117.16 111.58 1vnd n TYR 33 Ca 0.00 0.44 0.00 0.00 -0.01 0.00 0.00 57.90 58.33 1vnd n TYR 33 Cb 0.00 -3.39 0.00 0.00 -0.02 0.00 0.00 39.34 35.93 1vnd n TYR 33 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 176.86 177.32 1vnd n LEU 34 N -2.46 0.00 0.00 7.72 -0.00 -1.26 -5.08 117.00 115.92 1vnd n LEU 34 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.89 1vnd n LEU 34 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.00 1vnd n LEU 34 CO 0.28 0.00 0.00 -0.24 -0.00 0.00 0.00 177.39 177.43 1vnd n SER 35 N 0.00 0.00 -0.03 1.45 2.88 -1.26 -4.81 113.62 111.85 1vnd n SER 35 Ca 0.00 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.40 1vnd n SER 35 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.35 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 0.00 0.02 0.00 -1.46 0.00 -1.99 -3.03 119.26 112.80 1vnd h ALA 36 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1vnd h ALA 36 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1vnd h ALA 36 CO 0.00 -0.12 0.00 -1.35 0.00 0.00 0.00 179.25 177.78 1vnd h PRO 37 N -0.59 0.00 0.00 0.00 0.11 -1.85 -3.01 132.00 126.67 1vnd h PRO 37 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1vnd h PRO 37 Cb 0.70 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.81 1vnd h PRO 37 CO 0.01 0.00 -1.24 -0.85 -0.21 0.00 0.00 178.00 175.71 1vnd n GLU 38 N -2.68 0.28 0.10 1.05 0.28 -1.25 -3.44 120.64 114.97 1vnd n GLU 38 Ca 0.02 -0.05 -0.18 0.00 -0.16 0.00 0.00 57.16 56.79 1vnd n GLU 38 Cb 0.32 -1.54 -0.14 0.00 1.43 0.00 0.00 31.44 31.50 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 0.31 0.00 3.44 2.43 -1.51 -3.08 114.38 115.98 1vnd h ARG 39 Ca 0.00 -0.53 -0.06 0.00 -0.81 0.00 0.00 59.98 58.58 1vnd h ARG 39 Cb 0.71 0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.45 1vnd h ARG 39 CO 0.00 1.22 -0.27 0.93 -1.51 0.00 0.00 179.97 180.35 1vnd h GLU 40 N 0.08 0.00 0.02 0.20 4.39 -1.69 -2.15 114.58 115.44 1vnd h GLU 40 Ca -0.19 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.24 1vnd h GLU 40 Cb 2.02 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.64 1vnd h GLU 40 CO 0.20 0.27 -1.39 1.25 -1.16 0.00 0.00 179.01 178.17 1vnd h HIS 41 N 0.00 0.09 -0.00 4.33 2.76 -1.69 -2.72 115.15 117.92 1vnd h HIS 41 Ca -0.00 -0.06 -0.22 0.00 -2.20 0.00 0.00 60.37 57.88 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 1.08 -0.93 1.25 -1.30 0.00 0.00 177.93 178.03 1vnd h LEU 42 N 0.01 0.50 0.00 0.26 7.12 -1.53 -2.78 115.31 118.89 1vnd h LEU 42 Ca -0.17 -0.40 -0.21 0.00 0.13 0.00 0.00 57.88 57.24 1vnd h LEU 42 Cb 1.92 -0.15 -0.03 0.00 -0.53 0.00 0.00 40.66 41.86 1vnd h LEU 42 CO 0.11 1.19 -1.02 0.00 -0.13 0.00 0.00 178.44 178.60 1vnd h ALA 43 N 0.77 0.40 0.00 1.25 0.00 -1.49 -2.82 119.26 117.37 1vnd h ALA 43 Ca -0.07 -0.92 -0.24 0.00 0.00 0.00 0.00 54.91 53.68 1vnd h ALA 43 Cb 1.56 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.21 1vnd h ALA 43 CO 0.16 1.23 -1.28 0.77 0.00 0.00 0.00 179.25 180.13 1vnd h SER 44 N 0.00 0.00 -0.05 0.00 0.02 -1.59 -0.25 113.55 111.68 1vnd h SER 44 Ca -0.03 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.72 1vnd h SER 44 Cb 1.76 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.31 1vnd h SER 44 CO 0.12 0.96 -0.70 0.25 -1.14 0.00 0.00 176.83 176.32 1vnd h LEU 45 N 0.00 0.79 0.00 5.07 5.85 -1.58 -3.29 115.31 122.15 1vnd h LEU 45 Ca -0.13 -0.49 0.00 0.00 0.84 0.00 0.00 57.88 58.10 1vnd h LEU 45 Cb 1.84 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.64 1vnd h LEU 45 CO 0.10 1.27 -1.73 2.30 -0.34 0.00 0.00 178.44 180.04 1vnd n ILE 46 N -3.93 0.04 -0.53 4.05 -5.35 -1.06 -5.01 119.36 107.58 1vnd n ILE 46 Ca -0.06 -0.41 0.00 0.00 -0.27 0.00 0.00 62.75 62.02 1vnd n ILE 46 Cb 0.70 0.15 0.00 0.00 -1.74 0.00 0.00 39.64 38.75 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 -2.14 0.00 -3.45 6.28 3.00 -0.94 -4.98 116.66 114.43 1vnd n ARG 47 Ca -0.02 0.00 -0.16 0.00 -0.00 0.00 0.00 57.85 57.67 1vnd n ARG 47 Cb 0.52 -0.59 -0.04 0.00 0.00 0.00 0.00 32.46 32.36 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 -0.18 0.00 -4.85 6.15 4.77 -0.15 -4.45 117.00 118.30 1vnd n LEU 48 Ca 0.00 -1.83 -0.35 0.00 -0.03 0.00 0.00 56.01 53.80 1vnd n LEU 48 Cb 0.12 0.49 -0.06 0.00 -2.33 0.00 0.00 43.42 41.64 1vnd n LEU 48 CO 0.00 -0.28 0.22 0.42 -1.33 0.00 0.00 177.39 176.42 1vnd s THR 49 N -2.33 4.89 0.56 -5.08 -4.23 -1.26 -4.61 115.64 103.57 1vnd s THR 49 Ca 0.09 0.74 0.40 0.00 -1.18 0.00 0.00 61.69 61.74 1vnd s THR 49 Cb 0.00 -3.71 0.42 0.00 1.34 0.00 0.00 72.50 70.55 1vnd s THR 49 CO 0.06 0.21 2.28 -0.65 -0.54 0.00 0.00 174.62 175.98 1vnd h PRO 50 N 3.45 0.00 0.00 3.99 0.11 -1.94 -3.00 132.00 134.61 1vnd h PRO 50 Ca -0.48 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.38 1vnd h PRO 50 Cb 1.19 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 1vnd h PRO 50 CO 0.66 0.01 -1.46 0.00 -0.21 0.00 0.00 178.00 177.00 1vnd h THR 51 N 0.00 0.95 0.08 -1.15 1.03 -1.99 -2.95 112.91 108.88 1vnd h THR 51 Ca -0.00 -2.69 -0.27 0.00 -0.01 0.00 0.00 66.41 63.44 1vnd h THR 51 Cb 0.10 2.43 -0.01 0.00 -1.07 0.00 0.00 68.15 69.60 1vnd h THR 51 CO 0.00 0.54 -1.32 0.06 -0.01 0.00 0.00 175.52 174.80 1vnd h GLN 52 N 0.00 0.17 -0.33 0.00 3.07 -1.95 -2.99 115.11 113.08 1vnd h GLN 52 Ca -0.20 -0.30 -0.14 0.00 0.09 0.00 0.00 58.65 58.10 1vnd h GLN 52 Cb 1.86 0.11 -0.01 0.00 0.08 0.00 0.00 27.48 29.52 1vnd h GLN 52 CO 0.08 1.07 -0.38 -0.24 0.09 0.00 0.00 178.83 179.45 1vnd h VAL 53 N 0.05 1.28 -0.28 1.86 3.04 -1.68 -2.11 116.25 118.41 1vnd h VAL 53 Ca -0.15 -1.55 0.06 0.00 -1.01 0.00 0.00 66.70 64.05 1vnd h VAL 53 Cb 1.94 1.44 -0.06 0.00 -2.01 0.00 0.00 31.29 32.60 1vnd h VAL 53 CO 0.16 0.51 -0.11 0.11 -1.01 0.00 0.00 177.57 177.23 1vnd h LYS 54 N 0.63 -0.06 -0.00 4.17 1.79 -1.60 -2.98 116.57 118.52 1vnd h LYS 54 Ca 0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1vnd h LYS 54 Cb 0.93 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.59 1vnd h LYS 54 CO 0.09 -0.04 -0.15 -0.89 -1.08 0.00 0.00 179.45 177.37 1vnd n ILE 55 N -5.28 0.00 0.01 1.86 5.41 -1.13 -2.60 119.36 117.63 1vnd n ILE 55 Ca -0.00 -0.08 -0.18 0.00 1.00 0.00 0.00 62.75 63.49 1vnd n ILE 55 Cb 0.20 0.06 -0.11 0.00 -0.71 0.00 0.00 39.64 39.08 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 0.77 0.69 0.00 1.39 7.01 -1.24 -2.95 115.95 121.62 1vnd h TRP 56 Ca 0.00 -0.37 -0.01 0.00 2.11 0.00 0.00 58.89 60.62 1vnd h TRP 56 Cb 0.40 -0.08 -0.00 0.00 -2.10 0.00 0.00 29.16 27.38 1vnd h TRP 56 CO 0.00 1.19 -0.31 0.74 -2.79 0.00 0.00 178.44 177.27 1vnd h PHE 57 N -0.01 0.00 0.00 2.65 -1.00 -1.60 -2.80 116.94 114.18 1vnd h PHE 57 Ca -0.08 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.60 1vnd h PHE 57 Cb 1.37 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.91 1vnd h PHE 57 CO 0.14 0.03 -0.83 0.37 -1.61 0.00 0.00 178.31 176.41 1vnd h GLN 58 N 0.00 0.00 0.00 1.51 4.15 -1.62 -3.27 115.11 115.87 1vnd h GLN 58 Ca -0.00 0.00 -0.23 0.00 0.77 0.00 0.00 58.65 59.18 1vnd h GLN 58 Cb 1.02 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.68 1vnd h GLN 58 CO 0.00 0.29 -1.41 -0.91 -1.93 0.00 0.00 178.83 174.87 1vnd h ASN 59 N 0.00 0.00 1.52 -0.69 4.21 -1.60 -3.40 115.58 115.62 1vnd h ASN 59 Ca -0.06 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.45 1vnd h ASN 59 Cb 1.35 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.55 1vnd h ASN 59 CO 0.04 0.87 -0.13 0.45 -1.29 0.00 0.00 177.43 177.37 1vnd h HIS 60 N 0.00 0.00 0.12 1.19 3.86 -1.59 -3.03 115.15 115.70 1vnd h HIS 60 Ca -0.18 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 58.74 1vnd h HIS 60 Cb 1.83 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 30.30 1vnd h HIS 60 CO 0.00 0.00 -1.33 0.07 0.86 0.00 0.00 177.93 177.53 1vnd h ARG 61 N 0.00 0.26 -1.06 2.45 -0.00 -1.77 -3.43 114.38 110.83 1vnd h ARG 61 Ca 0.00 -0.44 0.13 0.00 -0.00 0.00 0.00 59.98 59.68 1vnd h ARG 61 Cb 0.82 0.16 -0.21 0.00 -0.00 0.00 0.00 29.97 30.74 1vnd h ARG 61 CO 0.00 1.17 -0.07 1.52 -0.00 0.00 0.00 179.97 182.60 1vnd s TYR 62 N -2.64 -1.16 -0.35 4.08 -0.85 -1.26 -4.65 117.35 110.51 1vnd s TYR 62 Ca -0.05 1.50 0.02 0.00 -0.52 0.00 0.00 57.07 58.02 1vnd s TYR 62 Cb 0.07 0.51 0.11 0.00 0.38 0.00 0.00 41.96 43.03 1vnd s TYR 62 CO 0.87 -0.61 0.11 0.15 -1.52 0.00 0.00 175.55 174.55 1vnd s LYS 63 N 2.82 1.17 -0.13 -3.49 3.01 -1.14 -4.84 119.74 117.13 1vnd s LYS 63 Ca 0.07 -1.61 -0.05 0.00 -1.01 0.00 0.00 55.97 53.37 1vnd s LYS 63 Cb -0.12 -2.59 -0.04 0.00 -1.01 0.00 0.00 37.83 34.06 1vnd s LYS 63 CO -0.18 -1.00 1.04 0.25 0.51 0.00 0.00 175.35 175.97 1vnd n THR 64 N 4.33 0.00 -0.09 2.17 -2.24 -1.26 -4.84 114.28 112.34 1vnd n THR 64 Ca 0.02 -0.42 -0.07 0.00 -2.27 0.00 0.00 64.05 61.31 1vnd n THR 64 Cb 0.40 -0.32 0.13 0.00 -2.10 0.00 0.00 70.33 68.45 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 4.84 2.13 0.07 -0.78 2.85 -1.26 -4.31 118.16 121.69 1vnd n LYS 65 Ca 0.07 -1.58 0.00 0.00 -1.05 0.00 0.00 58.31 55.75 1vnd n LYS 65 Cb 0.43 -1.71 0.00 0.00 -0.65 0.00 0.00 35.03 33.10 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 -0.12 0.00 -3.56 -1.58 0.63 -1.26 -5.10 116.66 105.67 1vnd n ARG 66 Ca 0.25 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.79 1vnd n ARG 66 Cb 0.98 0.00 -0.11 0.00 0.45 0.00 0.00 32.46 33.79 1vnd n ARG 66 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1vnd s ALA 67 N -2.00 3.49 -0.65 5.13 0.00 -1.26 -4.97 121.76 121.50 1vnd s ALA 67 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 50.68 1vnd s ALA 67 Cb 0.00 -2.58 0.41 0.00 0.00 0.00 0.00 23.12 20.96 1vnd s ALA 67 CO 0.00 -0.82 1.80 1.04 0.00 0.00 0.00 175.76 177.78 1vnd n GLN 68 N 5.08 2.94 -3.04 0.00 6.02 -1.26 -4.48 117.38 122.63 1vnd n GLN 68 Ca -0.13 -3.65 0.04 0.00 -0.01 0.00 0.00 57.00 53.25 1vnd n GLN 68 Cb 0.50 -2.28 0.00 0.00 1.02 0.00 0.00 30.24 29.49 1vnd n GLN 68 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1vnd s ASN 69 N -2.03 -0.42 0.00 1.08 2.47 -1.26 -5.15 114.94 109.63 1vnd s ASN 69 Ca 0.56 -0.03 0.00 0.00 0.42 0.00 0.00 52.86 53.81 1vnd s ASN 69 Cb 0.46 1.04 0.00 0.00 -1.45 0.00 0.00 41.25 41.29 1vnd s ASN 69 CO -0.17 -0.07 0.00 -1.84 -3.72 0.00 0.00 177.10 171.30 1vnd n GLU 70 N 4.69 0.00 -2.72 0.43 0.28 -1.26 -4.41 120.64 117.64 1vnd n GLU 70 Ca 0.08 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.66 1vnd n GLU 70 Cb 0.59 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.44 1vnd n GLU 70 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1vnd s LYS 71 N 0.00 4.28 0.00 3.44 -0.14 -1.26 -3.98 119.74 122.09 1vnd s LYS 71 Ca 0.00 1.27 0.00 0.00 -1.36 0.00 0.00 55.97 55.88 1vnd s LYS 71 Cb 0.00 -3.61 0.00 0.00 -1.68 0.00 0.00 37.83 32.54 1vnd s LYS 71 CO 0.00 -0.52 0.00 0.41 -0.76 0.00 0.00 175.35 174.48 1vnd n GLY 72 N 3.35 3.40 0.09 -3.33 0.00 -1.26 -5.02 105.19 102.41 1vnd n GLY 72 Ca 0.10 -0.95 -0.13 0.00 0.00 0.00 0.00 46.02 45.04 1vnd n GLY 72 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1vnd h TYR 73 N 0.00 -0.09 -0.77 1.61 3.20 -1.77 -3.38 116.97 115.78 1vnd h TYR 73 Ca 0.00 -0.00 -0.44 0.00 3.14 0.00 0.00 58.73 61.43 1vnd h TYR 73 Cb 0.00 0.03 -0.25 0.00 1.54 0.00 0.00 36.73 38.05 1vnd h TYR 73 CO 0.00 0.36 0.34 -0.85 -1.64 0.00 0.00 178.16 176.37 1vnd n GLU 74 N -4.91 2.30 -3.27 1.82 0.00 -1.26 -4.93 120.64 110.39 1vnd n GLU 74 Ca -0.08 -3.22 -0.16 0.00 0.00 0.00 0.00 57.16 53.70 1vnd n GLU 74 Cb 0.25 -2.09 0.07 0.00 0.00 0.00 0.00 31.44 29.68 1vnd n GLU 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1vnd n GLY 75 N -1.06 -0.26 0.00 -1.84 0.00 -1.06 -4.19 105.19 96.78 1vnd n GLY 75 Ca 0.51 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.56 1vnd n GLY 75 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1vnd n HIS 76 N -3.90 0.00 1.30 1.61 -0.00 -1.26 -3.56 115.22 109.41 1vnd n HIS 76 Ca -0.18 0.00 0.10 0.00 0.46 0.00 0.00 57.72 58.10 1vnd n HIS 76 Cb 0.62 0.00 0.62 0.00 -0.12 0.00 0.00 29.99 31.11 1vnd n HIS 76 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45