#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 0.07 -3.40 0.00 7.64 -1.26 -3.73 113.62 112.94 1vnd n SER 2 Ca 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.84 1vnd n SER 2 Cb 0.00 0.01 -0.06 0.00 -1.01 0.00 0.00 64.21 63.16 1vnd n SER 2 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1vnd s ASP 3 N -0.08 -0.52 0.00 6.43 2.15 -1.26 -4.85 116.67 118.54 1vnd s ASP 3 Ca 0.00 0.77 0.00 0.00 0.43 0.00 0.00 52.55 53.75 1vnd s ASP 3 Cb 0.00 1.63 0.00 0.00 -0.30 0.00 0.00 42.92 44.25 1vnd s ASP 3 CO 0.00 -0.26 0.00 0.61 -0.17 0.00 0.00 175.17 175.35 1vnd n GLY 4 N 5.40 -0.63 0.92 2.66 0.00 -1.26 -5.04 105.19 107.24 1vnd n GLY 4 Ca -0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 46.02 45.78 1vnd n GLY 4 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1vnd n LEU 5 N 0.00 0.69 -4.51 0.99 4.77 -1.26 -4.89 117.00 112.79 1vnd n LEU 5 Ca 0.00 0.10 -0.42 0.00 -0.03 0.00 0.00 56.01 55.66 1vnd n LEU 5 Cb 0.00 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 40.83 1vnd n LEU 5 CO 0.00 -0.29 1.13 -2.16 -1.33 0.00 0.00 177.39 174.74 1vnd s PRO 6 N -2.08 3.35 0.00 3.23 0.04 -1.26 -4.89 135.00 133.38 1vnd s PRO 6 Ca -0.04 -0.88 0.00 0.00 0.04 0.00 0.00 61.00 60.12 1vnd s PRO 6 Cb 0.01 -4.65 0.00 0.00 0.04 0.00 0.00 34.50 29.91 1vnd s PRO 6 CO 0.05 -2.03 0.00 0.09 0.04 0.00 0.00 177.00 175.16 1vnd n ASN 7 N 8.38 0.00 0.20 6.66 3.02 -1.26 -2.52 115.26 129.74 1vnd n ASN 7 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 1vnd n ASN 7 Cb 0.49 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.66 1vnd n ASN 7 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1vnd n LYS 8 N 0.00 0.00 -2.89 3.52 3.00 -1.24 -4.69 118.16 115.85 1vnd n LYS 8 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.18 1vnd n LYS 8 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 35.03 35.07 1vnd n LYS 8 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1vnd n LYS 9 N -3.46 0.92 0.00 1.64 3.00 -1.26 -2.89 118.16 116.10 1vnd n LYS 9 Ca 0.00 -2.37 0.00 0.00 -0.00 0.00 0.00 58.31 55.94 1vnd n LYS 9 Cb 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 35.03 33.73 1vnd n LYS 9 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1vnd n ARG 10 N 0.73 0.00 -0.16 1.64 0.00 -1.26 -4.81 116.66 112.80 1vnd n ARG 10 Ca 0.13 0.00 0.07 0.00 -0.00 0.00 0.00 57.85 58.04 1vnd n ARG 10 Cb 0.66 -0.14 0.09 0.00 0.00 0.00 0.00 32.46 33.07 1vnd n ARG 10 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1vnd n LYS 11 N -1.70 1.11 -3.27 -0.14 5.02 -1.26 -5.09 118.16 112.83 1vnd n LYS 11 Ca 0.00 -2.06 -0.17 0.00 -2.02 0.00 0.00 58.31 54.05 1vnd n LYS 11 Cb 0.00 -1.20 0.02 0.00 -0.02 0.00 0.00 35.03 33.83 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 -0.99 -1.33 -3.68 1.97 0.63 -1.26 -4.96 116.66 107.03 1vnd n ARG 12 Ca 0.10 1.28 -0.24 0.00 -0.92 0.00 0.00 57.85 58.07 1vnd n ARG 12 Cb 0.61 -2.03 -0.02 0.00 0.45 0.00 0.00 32.46 31.47 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 -1.76 3.48 -0.18 -0.14 1.81 -1.14 -4.99 118.95 116.02 1vnd s ARG 13 Ca 0.18 -0.49 0.16 0.00 -1.72 0.00 0.00 55.73 53.86 1vnd s ARG 13 Cb -0.02 -2.80 0.48 0.00 -0.45 0.00 0.00 34.95 32.17 1vnd s ARG 13 CO 0.48 0.32 1.38 0.28 -0.68 0.00 0.00 175.30 177.08 1vnd n VAL 14 N -1.34 2.24 -2.41 3.52 0.31 -1.26 -4.86 118.33 114.53 1vnd n VAL 14 Ca -0.06 -2.04 -0.42 0.00 -0.01 0.00 0.00 64.34 61.81 1vnd n VAL 14 Cb 0.56 -0.26 -0.02 0.00 -0.91 0.00 0.00 33.84 33.20 1vnd n VAL 14 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 1vnd s LEU 15 N -2.88 3.45 0.10 7.52 2.34 -1.26 -5.02 118.68 122.93 1vnd s LEU 15 Ca 0.41 0.37 0.03 0.00 0.06 0.00 0.00 54.13 55.00 1vnd s LEU 15 Cb 0.34 -3.17 -0.04 0.00 -0.56 0.00 0.00 46.19 42.76 1vnd s LEU 15 CO 0.07 -1.62 0.11 -0.36 -1.06 0.00 0.00 176.35 173.49 1vnd s PHE 16 N 5.77 3.21 0.00 3.48 0.08 -1.26 -5.12 117.98 124.14 1vnd s PHE 16 Ca 0.53 0.06 0.00 0.00 0.12 0.00 0.00 56.93 57.64 1vnd s PHE 16 Cb -0.11 -1.60 0.00 0.00 -0.57 0.00 0.00 43.02 40.74 1vnd s PHE 16 CO 0.27 0.52 0.00 2.41 -0.10 0.00 0.00 175.22 178.32 1vnd n THR 17 N 0.19 0.00 0.66 0.64 -1.04 -1.26 -5.02 114.28 108.46 1vnd n THR 17 Ca -0.08 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.04 1vnd n THR 17 Cb 0.52 -0.28 0.46 0.00 -1.82 0.00 0.00 70.33 69.21 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 -0.24 0.09 0.11 -2.82 -0.00 -1.26 -2.80 118.16 111.25 1vnd n LYS 18 Ca 0.00 0.20 -0.18 0.00 -0.00 0.00 0.00 58.31 58.33 1vnd n LYS 18 Cb 0.00 -1.63 -0.14 0.00 -0.00 0.00 0.00 35.03 33.25 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 2.62 0.04 0.07 0.58 0.00 -1.99 -3.26 119.26 117.32 1vnd h ALA 19 Ca 0.00 -0.89 -0.21 0.00 0.00 0.00 0.00 54.91 53.81 1vnd h ALA 19 Cb 0.45 0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.32 1vnd h ALA 19 CO 0.00 0.92 -0.85 1.96 0.00 0.00 0.00 179.25 181.27 1vnd h GLN 20 N 0.09 0.46 -0.18 0.00 1.08 -1.91 -3.02 115.11 111.63 1vnd h GLN 20 Ca -0.17 -0.58 -0.14 0.00 -1.45 0.00 0.00 58.65 56.30 1vnd h GLN 20 Cb 2.02 0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 29.63 1vnd h GLN 20 CO 0.22 1.23 -0.49 1.79 -0.95 0.00 0.00 178.83 180.63 1vnd h THR 21 N -0.04 1.32 0.07 -0.54 1.35 -1.73 -3.02 112.91 110.32 1vnd h THR 21 Ca -0.13 -1.70 -0.00 0.00 -0.55 0.00 0.00 66.41 64.03 1vnd h THR 21 Cb 1.58 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 69.71 1vnd h THR 21 CO 0.16 0.53 -0.04 0.22 -0.25 0.00 0.00 175.52 176.15 1vnd h TYR 22 N 0.38 -0.09 -0.09 4.73 3.20 -1.64 -3.02 116.97 120.44 1vnd h TYR 22 Ca 0.02 -0.00 -0.21 0.00 3.14 0.00 0.00 58.73 61.67 1vnd h TYR 22 Cb 0.99 0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.30 1vnd h TYR 22 CO 0.03 0.07 -0.81 0.93 -1.64 0.00 0.00 178.16 176.75 1vnd h GLU 23 N -0.24 0.59 -0.28 1.82 4.39 -1.59 -2.73 114.58 116.53 1vnd h GLU 23 Ca -0.01 -0.51 -0.07 0.00 0.34 0.00 0.00 59.36 59.11 1vnd h GLU 23 Cb 0.20 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 1vnd h GLU 23 CO 0.02 1.13 -0.10 -0.07 -1.16 0.00 0.00 179.01 178.84 1vnd h LEU 24 N 0.38 0.57 -1.15 1.33 3.38 -1.64 -3.06 115.31 115.12 1vnd h LEU 24 Ca -0.06 -0.39 -0.09 0.00 0.09 0.00 0.00 57.88 57.44 1vnd h LEU 24 Cb 1.42 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 1vnd h LEU 24 CO 0.15 0.82 -0.41 -0.33 0.09 0.00 0.00 178.44 178.77 1vnd h GLU 25 N 0.30 0.03 -0.02 1.13 4.39 -1.64 -3.01 114.58 115.77 1vnd h GLU 25 Ca 0.07 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 1vnd h GLU 25 Cb 0.59 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 1vnd h GLU 25 CO 0.03 0.44 -0.05 0.07 -1.16 0.00 0.00 179.01 178.34 1vnd h ARG 26 N 0.03 0.07 -0.42 2.33 0.11 -1.46 -2.69 114.38 112.34 1vnd h ARG 26 Ca -0.00 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.03 1vnd h ARG 26 Cb 0.74 0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.82 1vnd h ARG 26 CO 0.05 0.66 0.00 2.89 0.10 0.00 0.00 179.97 183.67 1vnd n ARG 27 N -4.73 1.72 0.08 0.08 1.85 -1.16 -3.05 116.66 111.44 1vnd n ARG 27 Ca -0.09 -0.85 -0.23 0.00 -1.00 0.00 0.00 57.85 55.68 1vnd n ARG 27 Cb 0.33 -1.34 -0.15 0.00 -1.05 0.00 0.00 32.46 30.25 1vnd n ARG 27 CO 0.00 0.00 0.00 0.35 -0.01 0.00 0.00 177.63 177.97 1vnd h PHE 28 N 1.28 0.74 0.06 2.89 3.57 -1.51 -3.39 116.94 120.58 1vnd h PHE 28 Ca 0.00 -0.54 -0.26 0.00 3.53 0.00 0.00 57.97 60.70 1vnd h PHE 28 Cb 0.50 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 1vnd h PHE 28 CO 0.21 1.66 -1.29 0.00 -2.23 0.00 0.00 178.31 176.66 1vnd h ARG 29 N 0.08 0.12 -0.01 1.11 2.47 -1.40 -3.34 114.38 113.42 1vnd h ARG 29 Ca -0.33 -0.21 0.00 0.00 -1.26 0.00 0.00 59.98 58.18 1vnd h ARG 29 Cb 2.09 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 30.49 1vnd h ARG 29 CO 0.18 1.01 -0.65 1.04 0.56 0.00 0.00 179.97 182.11 1vnd n GLN 30 N -3.38 0.49 -3.56 0.04 1.13 -1.20 -4.98 117.38 105.93 1vnd n GLN 30 Ca -0.08 -0.38 -0.10 0.00 -1.94 0.00 0.00 57.00 54.50 1vnd n GLN 30 Cb 1.00 -1.49 -0.04 0.00 0.11 0.00 0.00 30.24 29.82 1vnd n GLN 30 CO 0.00 0.00 0.00 1.14 -1.44 0.00 0.00 177.06 176.76 1vnd s GLN 31 N -2.77 0.65 -0.17 -1.09 -2.07 -1.25 -5.07 119.66 107.89 1vnd s GLN 31 Ca 0.14 0.03 0.10 0.00 -1.82 0.00 0.00 55.36 53.82 1vnd s GLN 31 Cb 0.17 0.30 -0.18 0.00 -1.09 0.00 0.00 33.01 32.22 1vnd s GLN 31 CO 0.70 -0.23 -0.02 0.54 -1.32 0.00 0.00 175.29 174.96 1vnd n ARG 32 N 0.47 1.12 -4.27 9.60 1.74 -1.26 -3.74 116.66 120.31 1vnd n ARG 32 Ca -0.10 0.03 -0.35 0.00 -0.77 0.00 0.00 57.85 56.66 1vnd n ARG 32 Cb 0.59 -1.41 -0.09 0.00 -1.02 0.00 0.00 32.46 30.52 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 -2.39 3.21 -0.22 -1.55 -0.85 -1.26 -4.97 117.35 109.32 1vnd s TYR 33 Ca -0.14 0.18 -0.04 0.00 -0.52 0.00 0.00 57.07 56.55 1vnd s TYR 33 Cb 0.05 -1.86 0.11 0.00 0.38 0.00 0.00 41.96 40.65 1vnd s TYR 33 CO 0.60 0.42 0.34 -0.48 -1.52 0.00 0.00 175.55 174.91 1vnd s LEU 34 N -0.64 -0.50 0.60 -3.49 -0.00 -1.26 -5.09 118.68 108.29 1vnd s LEU 34 Ca 0.11 0.31 -0.00 0.00 -0.00 0.00 0.00 54.13 54.54 1vnd s LEU 34 Cb -0.12 0.98 0.05 0.00 -0.00 0.00 0.00 46.19 47.09 1vnd s LEU 34 CO 0.02 -0.29 0.84 -0.94 -0.00 0.00 0.00 176.35 175.99 1vnd s SER 35 N 2.50 5.10 0.35 1.48 1.04 -1.26 -4.48 113.70 118.43 1vnd s SER 35 Ca 0.08 0.05 0.11 0.00 0.48 0.00 0.00 55.95 56.67 1vnd s SER 35 Cb -0.15 -0.84 0.87 0.00 0.10 0.00 0.00 66.02 66.00 1vnd s SER 35 CO -0.14 -1.30 1.82 0.00 0.98 0.00 0.00 173.24 174.60 1vnd h ALA 36 N -0.12 1.89 0.00 5.32 0.00 -2.02 0.19 119.26 124.53 1vnd h ALA 36 Ca -0.42 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1vnd h ALA 36 Cb 1.30 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1vnd h ALA 36 CO 0.53 -0.21 0.00 -1.35 0.00 0.00 0.00 179.25 178.21 1vnd h PRO 37 N 0.63 0.00 0.00 0.00 0.11 -1.99 -3.00 132.00 127.75 1vnd h PRO 37 Ca 0.52 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.54 1vnd h PRO 37 Cb 0.98 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 1vnd h PRO 37 CO -0.28 0.00 -1.56 -0.85 -0.21 0.00 0.00 178.00 175.10 1vnd n GLU 38 N -2.92 1.53 0.11 1.05 0.28 -0.56 -4.25 120.64 115.88 1vnd n GLU 38 Ca 0.00 -0.04 -0.23 0.00 -0.16 0.00 0.00 57.16 56.73 1vnd n GLU 38 Cb 0.26 -1.24 -0.15 0.00 1.43 0.00 0.00 31.44 31.74 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 0.48 0.00 3.44 2.43 -0.77 -2.96 114.38 116.99 1vnd h ARG 39 Ca -0.14 -0.80 -0.07 0.00 -0.81 0.00 0.00 59.98 58.16 1vnd h ARG 39 Cb 1.09 0.30 -0.01 0.00 -0.42 0.00 0.00 29.97 30.92 1vnd h ARG 39 CO 0.01 1.38 -0.67 0.93 -1.51 0.00 0.00 179.97 180.11 1vnd h GLU 40 N -0.01 0.00 0.00 0.20 4.39 -1.75 -3.06 114.58 114.35 1vnd h GLU 40 Ca -0.22 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.42 1vnd h GLU 40 Cb 1.99 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.63 1vnd h GLU 40 CO 0.24 0.21 -0.73 1.25 -1.16 0.00 0.00 179.01 178.81 1vnd h HIS 41 N 0.00 0.00 -0.26 4.33 2.76 -1.74 -2.57 115.15 117.67 1vnd h HIS 41 Ca -0.03 0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 57.98 1vnd h HIS 41 Cb 1.23 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.19 1vnd h HIS 41 CO 0.00 0.27 -0.48 1.25 -1.30 0.00 0.00 177.93 177.66 1vnd h LEU 42 N 0.00 0.77 -0.31 0.26 7.12 -1.56 -2.26 115.31 119.33 1vnd h LEU 42 Ca -0.04 -0.38 -0.13 0.00 0.13 0.00 0.00 57.88 57.45 1vnd h LEU 42 Cb 1.24 -0.22 -0.02 0.00 -0.53 0.00 0.00 40.66 41.13 1vnd h LEU 42 CO 0.03 1.13 -0.64 0.00 -0.13 0.00 0.00 178.44 178.83 1vnd h ALA 43 N 0.90 0.69 0.02 1.25 0.00 -1.54 -2.66 119.26 117.91 1vnd h ALA 43 Ca 0.03 -0.58 -0.26 0.00 0.00 0.00 0.00 54.91 54.10 1vnd h ALA 43 Cb 1.04 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1vnd h ALA 43 CO 0.10 0.80 -1.40 0.77 0.00 0.00 0.00 179.25 179.52 1vnd h SER 44 N 0.00 0.06 0.67 0.00 0.02 -1.52 0.37 113.55 113.15 1vnd h SER 44 Ca -0.01 -0.09 -0.24 0.00 -0.84 0.00 0.00 61.79 60.61 1vnd h SER 44 Cb 1.35 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.87 1vnd h SER 44 CO 0.08 1.07 -1.09 0.25 -1.14 0.00 0.00 176.83 176.01 1vnd h LEU 45 N 0.01 0.32 0.00 5.07 5.85 -1.49 -3.35 115.31 121.72 1vnd h LEU 45 Ca -0.17 -0.31 -0.05 0.00 0.84 0.00 0.00 57.88 58.19 1vnd h LEU 45 Cb 1.92 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.83 1vnd h LEU 45 CO 0.11 1.20 -2.04 2.30 -0.34 0.00 0.00 178.44 179.67 1vnd n ILE 46 N -3.54 0.19 -0.64 4.05 -5.35 -1.00 -5.05 119.36 108.02 1vnd n ILE 46 Ca -0.06 -0.54 0.00 0.00 -0.27 0.00 0.00 62.75 61.88 1vnd n ILE 46 Cb 0.94 -0.06 0.00 0.00 -1.74 0.00 0.00 39.64 38.78 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 -2.32 0.00 -0.98 6.28 3.00 -0.92 -5.00 116.66 116.72 1vnd n ARG 47 Ca -0.08 0.01 0.00 0.00 -0.00 0.00 0.00 57.85 57.78 1vnd n ARG 47 Cb 0.64 -0.64 0.00 0.00 0.00 0.00 0.00 32.46 32.47 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 -0.63 0.00 -4.90 6.15 4.77 0.08 -5.03 117.00 117.43 1vnd n LEU 48 Ca 0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.65 1vnd n LEU 48 Cb 0.21 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.26 1vnd n LEU 48 CO 0.00 0.00 -0.12 0.42 -1.33 0.00 0.00 177.39 176.36 1vnd s THR 49 N -0.84 5.38 0.43 -5.08 -4.23 -1.26 -4.71 115.64 105.32 1vnd s THR 49 Ca 0.00 -0.14 0.39 0.00 -1.18 0.00 0.00 61.69 60.76 1vnd s THR 49 Cb 0.00 -3.57 0.39 0.00 1.34 0.00 0.00 72.50 70.66 1vnd s THR 49 CO 0.00 0.26 2.19 -0.65 -0.54 0.00 0.00 174.62 175.88 1vnd h PRO 50 N 3.57 0.00 0.00 3.99 0.11 -1.96 -3.05 132.00 134.66 1vnd h PRO 50 Ca -0.48 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.39 1vnd h PRO 50 Cb 1.18 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 1vnd h PRO 50 CO 0.71 0.00 -1.49 0.00 -0.21 0.00 0.00 178.00 177.00 1vnd h THR 51 N 0.00 0.89 0.03 -1.15 1.03 -1.98 -2.94 112.91 108.78 1vnd h THR 51 Ca 0.00 -2.62 -0.26 0.00 -0.01 0.00 0.00 66.41 63.52 1vnd h THR 51 Cb 0.05 2.39 -0.03 0.00 -1.07 0.00 0.00 68.15 69.48 1vnd h THR 51 CO 0.00 0.50 -1.38 0.06 -0.01 0.00 0.00 175.52 174.70 1vnd h GLN 52 N 0.00 0.06 -0.46 0.00 3.07 -1.97 -2.96 115.11 112.86 1vnd h GLN 52 Ca -0.21 -0.11 -0.09 0.00 0.09 0.00 0.00 58.65 58.33 1vnd h GLN 52 Cb 1.86 0.04 -0.02 0.00 0.08 0.00 0.00 27.48 29.44 1vnd h GLN 52 CO 0.08 0.86 -0.07 -0.24 0.09 0.00 0.00 178.83 179.54 1vnd h VAL 53 N 0.02 1.27 -0.31 1.86 3.04 -1.69 -2.73 116.25 117.71 1vnd h VAL 53 Ca -0.16 -1.18 0.05 0.00 -1.01 0.00 0.00 66.70 64.40 1vnd h VAL 53 Cb 1.92 1.09 -0.05 0.00 -2.01 0.00 0.00 31.29 32.23 1vnd h VAL 53 CO 0.12 0.41 0.00 0.11 -1.01 0.00 0.00 177.57 177.20 1vnd h LYS 54 N 0.71 0.09 -0.00 4.17 1.79 -1.61 -2.97 116.57 118.75 1vnd h LYS 54 Ca 0.12 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 1vnd h LYS 54 Cb 0.61 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.24 1vnd h LYS 54 CO 0.04 0.06 -0.25 -0.89 -1.08 0.00 0.00 179.45 177.33 1vnd n ILE 55 N -5.17 0.00 -0.02 1.86 5.41 -1.12 -1.75 119.36 118.58 1vnd n ILE 55 Ca 0.00 -0.05 -0.17 0.00 1.00 0.00 0.00 62.75 63.53 1vnd n ILE 55 Cb 0.16 0.06 -0.08 0.00 -0.71 0.00 0.00 39.64 39.07 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 0.45 0.88 0.00 1.39 7.01 -1.45 -3.23 115.95 121.01 1vnd h TRP 56 Ca 0.00 -0.41 0.00 0.00 2.11 0.00 0.00 58.89 60.59 1vnd h TRP 56 Cb 0.46 -0.13 0.00 0.00 -2.10 0.00 0.00 29.16 27.39 1vnd h TRP 56 CO 0.00 1.22 -0.20 0.74 -2.79 0.00 0.00 178.44 177.41 1vnd h PHE 57 N 0.29 0.00 -0.01 2.65 -1.00 -1.51 -3.08 116.94 114.29 1vnd h PHE 57 Ca -0.06 0.00 -0.23 0.00 2.81 0.00 0.00 57.97 60.49 1vnd h PHE 57 Cb 1.33 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.89 1vnd h PHE 57 CO 0.11 0.00 -0.94 0.37 -1.61 0.00 0.00 178.31 176.23 1vnd h GLN 58 N 0.00 0.48 0.00 1.51 4.15 -1.46 -3.29 115.11 116.49 1vnd h GLN 58 Ca 0.00 -0.50 0.00 0.00 0.77 0.00 0.00 58.65 58.92 1vnd h GLN 58 Cb 0.93 0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.76 1vnd h GLN 58 CO 0.00 1.15 -0.71 -0.91 -1.93 0.00 0.00 178.83 176.43 1vnd h ASN 59 N 0.28 0.00 0.95 -0.69 2.35 -1.64 -3.38 115.58 113.44 1vnd h ASN 59 Ca -0.09 -0.09 -0.18 0.00 -0.55 0.00 0.00 56.30 55.39 1vnd h ASN 59 Cb 1.58 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.92 1vnd h ASN 59 CO 0.17 0.05 -1.12 0.45 -1.65 0.00 0.00 177.43 175.33 1vnd h HIS 60 N 0.00 0.00 -0.32 1.19 3.86 -1.62 -3.40 115.15 114.85 1vnd h HIS 60 Ca 0.00 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 58.99 1vnd h HIS 60 Cb 0.88 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 29.27 1vnd h HIS 60 CO 0.00 0.70 0.18 2.89 0.86 0.00 0.00 177.93 182.57 1vnd n ARG 61 N -3.10 1.61 0.00 2.45 1.85 -1.24 -4.33 116.66 113.90 1vnd n ARG 61 Ca -0.06 -1.04 0.00 0.00 -1.00 0.00 0.00 57.85 55.75 1vnd n ARG 61 Cb 0.86 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.77 1vnd n ARG 61 CO 0.00 0.00 0.00 2.48 -0.01 0.00 0.00 177.63 180.10 1vnd n TYR 62 N 1.04 0.00 0.00 2.89 4.11 -1.26 -4.92 117.16 119.02 1vnd n TYR 62 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.13 1vnd n TYR 62 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.92 1vnd n TYR 62 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 1vnd n LYS 63 N 0.00 0.00 0.00 -3.48 4.01 -1.26 -4.86 118.16 112.56 1vnd n LYS 63 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1vnd n LYS 63 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 1vnd n LYS 63 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 1vnd n THR 64 N 0.00 0.00 0.00 -0.18 -2.24 -1.26 -5.07 114.28 105.53 1vnd n THR 64 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1vnd n THR 64 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 0.00 0.00 -3.64 -0.78 -0.00 -1.26 -5.15 118.16 107.33 1vnd n LYS 65 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.16 1vnd n LYS 65 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 35.03 34.96 1vnd n LYS 65 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1vnd s ARG 66 N 1.73 0.83 -0.51 -1.58 0.52 -1.26 -4.84 118.95 113.85 1vnd s ARG 66 Ca 0.00 0.15 -0.15 0.00 -0.52 0.00 0.00 55.73 55.21 1vnd s ARG 66 Cb 0.00 0.39 0.11 0.00 0.52 0.00 0.00 34.95 35.96 1vnd s ARG 66 CO 0.00 -0.23 0.44 0.00 0.02 0.00 0.00 175.30 175.53 1vnd s ALA 67 N -1.02 3.58 -0.63 2.13 0.00 -1.26 -5.05 121.76 119.51 1vnd s ALA 67 Ca -0.10 -2.38 -0.13 0.00 0.00 0.00 0.00 51.96 49.35 1vnd s ALA 67 Cb -0.03 -3.14 0.16 0.00 0.00 0.00 0.00 23.12 20.12 1vnd s ALA 67 CO 0.06 -1.90 0.56 -0.65 0.00 0.00 0.00 175.76 173.83 1vnd s GLN 68 N 1.59 3.07 -0.60 0.00 -0.21 -1.26 -4.88 119.66 117.36 1vnd s GLN 68 Ca 0.04 -2.03 0.05 0.00 0.02 0.00 0.00 55.36 53.44 1vnd s GLN 68 Cb -0.27 -4.24 0.31 0.00 1.00 0.00 0.00 33.01 29.81 1vnd s GLN 68 CO 0.04 -1.28 0.88 0.27 -2.12 0.00 0.00 175.29 173.08 1vnd n ASN 69 N 4.64 4.24 0.00 5.90 6.94 -1.26 -5.00 115.26 130.72 1vnd n ASN 69 Ca -0.02 -3.60 0.00 0.00 -0.02 0.00 0.00 54.58 50.93 1vnd n ASN 69 Cb 0.42 -0.60 0.00 0.00 -2.36 0.00 0.00 39.78 37.24 1vnd n ASN 69 CO 0.00 0.00 0.00 -1.84 -1.03 0.00 0.00 177.26 174.39 1vnd n GLU 70 N 0.13 0.00 -2.82 -3.83 0.28 -1.26 -4.03 120.64 109.11 1vnd n GLU 70 Ca 0.31 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.88 1vnd n GLU 70 Cb 0.40 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.23 1vnd n GLU 70 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 1vnd s LYS 71 N 0.00 3.78 0.00 3.44 0.00 -1.26 -2.45 119.74 123.24 1vnd s LYS 71 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 55.97 56.45 1vnd s LYS 71 Cb 0.00 -3.83 0.00 0.00 0.00 0.00 0.00 37.83 34.00 1vnd s LYS 71 CO 0.00 -0.99 0.00 0.41 0.00 0.00 0.00 175.35 174.77 1vnd n GLY 72 N 4.50 -0.07 0.05 0.59 0.00 -1.25 -4.47 105.19 104.53 1vnd n GLY 72 Ca 0.07 0.20 -0.02 0.00 0.00 0.00 0.00 46.02 46.27 1vnd n GLY 72 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1vnd h TYR 73 N 0.00 0.00 -1.84 1.61 0.05 -1.70 -3.42 116.97 111.67 1vnd h TYR 73 Ca 0.00 0.00 -0.78 0.00 0.05 0.00 0.00 58.73 58.00 1vnd h TYR 73 Cb 0.00 0.00 -0.20 0.00 1.01 0.00 0.00 36.73 37.54 1vnd h TYR 73 CO 0.00 0.00 1.66 0.39 -1.05 0.00 0.00 178.16 179.16 1vnd n GLU 74 N -4.13 4.45 0.00 4.88 4.71 -1.03 -4.88 120.64 124.65 1vnd n GLU 74 Ca -0.04 -3.97 0.00 0.00 -0.01 0.00 0.00 57.16 53.15 1vnd n GLU 74 Cb 0.13 -2.66 0.00 0.00 -1.01 0.00 0.00 31.44 27.90 1vnd n GLU 74 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1vnd n GLY 75 N 1.60 0.83 3.55 0.62 0.00 -1.26 -4.53 105.19 106.00 1vnd n GLY 75 Ca 0.44 -2.00 -0.34 0.00 0.00 0.00 0.00 46.02 44.12 1vnd n GLY 75 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1vnd s HIS 76 N -1.90 2.94 -2.00 1.61 3.76 -1.26 -3.95 115.29 114.48 1vnd s HIS 76 Ca 0.00 -0.08 0.20 0.00 -0.15 0.00 0.00 55.06 55.04 1vnd s HIS 76 Cb 0.00 -1.76 1.20 0.00 1.11 0.00 0.00 32.58 33.13 1vnd s HIS 76 CO 0.00 0.23 1.59 -0.35 -0.85 0.00 0.00 174.74 175.36