#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 0.77 -3.49 0.00 7.64 -1.26 -5.01 113.62 112.27 1vnd n SER 2 Ca 0.00 -2.06 -0.23 0.00 1.01 0.00 0.00 58.87 57.60 1vnd n SER 2 Cb 0.00 -0.28 -0.13 0.00 -1.01 0.00 0.00 64.21 62.79 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 -1.77 2.41 -0.42 6.43 -4.77 -1.26 -5.11 116.67 112.18 1vnd s ASP 3 Ca 0.25 -0.86 -0.15 0.00 -3.30 0.00 0.00 52.55 48.48 1vnd s ASP 3 Cb 0.29 0.09 0.03 0.00 -1.09 0.00 0.00 42.92 42.23 1vnd s ASP 3 CO -0.12 -0.40 0.34 -0.83 0.70 0.00 0.00 175.17 174.86 1vnd s GLY 4 N 2.23 2.00 0.12 2.12 0.00 -1.26 -5.04 107.32 107.49 1vnd s GLY 4 Ca 0.08 -1.75 -0.15 0.00 0.00 0.00 0.00 44.72 42.90 1vnd s GLY 4 CO -0.29 0.98 0.38 0.48 0.00 0.00 0.00 173.10 174.65 1vnd s LEU 5 N 1.75 0.48 0.41 0.66 0.05 -1.26 -4.66 118.68 116.11 1vnd s LEU 5 Ca 0.06 -0.36 -0.19 0.00 0.05 0.00 0.00 54.13 53.69 1vnd s LEU 5 Cb -0.19 1.77 -0.10 0.00 -2.05 0.00 0.00 46.19 45.61 1vnd s LEU 5 CO 0.10 -0.85 0.90 -2.16 -0.55 0.00 0.00 176.35 173.79 1vnd s PRO 6 N -3.81 4.17 -0.48 1.48 0.04 -1.26 -5.04 135.00 130.10 1vnd s PRO 6 Ca 0.03 1.00 -0.13 0.00 0.04 0.00 0.00 61.00 61.95 1vnd s PRO 6 Cb 0.02 -2.24 0.10 0.00 0.04 0.00 0.00 34.50 32.42 1vnd s PRO 6 CO -0.11 0.01 0.38 1.21 0.04 0.00 0.00 177.00 178.53 1vnd s ASN 7 N -2.23 5.94 0.30 6.66 2.47 -1.26 -5.07 114.94 121.75 1vnd s ASN 7 Ca 0.60 -1.64 0.01 0.00 0.42 0.00 0.00 52.86 52.25 1vnd s ASN 7 Cb -0.09 -2.11 -0.03 0.00 -1.45 0.00 0.00 41.25 37.57 1vnd s ASN 7 CO 0.15 -0.69 0.48 -0.54 -3.72 0.00 0.00 177.10 172.77 1vnd s LYS 8 N 1.51 3.48 0.00 0.43 1.02 -1.26 -4.46 119.74 120.46 1vnd s LYS 8 Ca 0.04 -0.43 0.00 0.00 0.02 0.00 0.00 55.97 55.60 1vnd s LYS 8 Cb -0.26 -2.74 0.00 0.00 -0.52 0.00 0.00 37.83 34.31 1vnd s LYS 8 CO 0.03 0.25 0.00 0.36 -0.92 0.00 0.00 175.35 175.07 1vnd n LYS 9 N -1.53 0.00 0.00 1.68 2.85 -1.26 -5.06 118.16 114.84 1vnd n LYS 9 Ca -0.06 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.20 1vnd n LYS 9 Cb 0.56 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.94 1vnd n LYS 9 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 1vnd n ARG 10 N 0.00 0.00 -1.31 -1.58 0.63 -1.26 -4.65 116.66 108.49 1vnd n ARG 10 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1vnd n ARG 10 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1vnd n ARG 10 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 1vnd n LYS 11 N 7.41 0.00 0.00 -0.14 4.81 -1.26 -5.09 118.16 123.88 1vnd n LYS 11 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1vnd n LYS 11 Cb 0.00 -1.45 0.00 0.00 0.02 0.00 0.00 35.03 33.60 1vnd n LYS 11 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1vnd n ARG 12 N -1.05 1.13 0.00 1.64 3.00 -1.26 -4.93 116.66 115.19 1vnd n ARG 12 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1vnd n ARG 12 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.85 1vnd n ARG 12 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 1vnd n ARG 13 N 0.00 0.00 -3.45 -0.14 0.00 -1.26 -4.76 116.66 107.05 1vnd n ARG 13 Ca 0.00 0.07 -0.38 0.00 -0.00 0.00 0.00 57.85 57.54 1vnd n ARG 13 Cb 0.00 -1.73 -0.08 0.00 -0.00 0.00 0.00 32.46 30.65 1vnd n ARG 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 1vnd s VAL 14 N -1.83 5.23 -0.10 8.89 -7.23 -1.26 -5.07 120.40 119.03 1vnd s VAL 14 Ca 0.00 0.58 -0.05 0.00 -1.81 0.00 0.00 61.98 60.70 1vnd s VAL 14 Cb 0.00 -3.68 0.05 0.00 0.56 0.00 0.00 36.38 33.31 1vnd s VAL 14 CO 0.00 0.26 0.23 -0.76 -0.31 0.00 0.00 175.10 174.53 1vnd s LEU 15 N 1.33 0.30 0.31 1.32 1.02 -1.26 -5.13 118.68 116.57 1vnd s LEU 15 Ca 0.16 0.50 -0.18 0.00 0.02 0.00 0.00 54.13 54.63 1vnd s LEU 15 Cb -0.15 0.66 -0.09 0.00 0.02 0.00 0.00 46.19 46.64 1vnd s LEU 15 CO 0.07 -0.18 0.79 -0.36 0.02 0.00 0.00 176.35 176.69 1vnd s PHE 16 N 1.50 3.47 0.00 0.29 0.08 -1.26 -5.11 117.98 116.95 1vnd s PHE 16 Ca -0.07 1.38 0.00 0.00 0.12 0.00 0.00 56.93 58.36 1vnd s PHE 16 Cb -0.11 -2.65 0.00 0.00 -0.57 0.00 0.00 43.02 39.69 1vnd s PHE 16 CO -0.08 0.14 0.00 2.41 -0.10 0.00 0.00 175.22 177.59 1vnd n THR 17 N -0.02 0.00 1.90 0.64 -1.04 -1.26 -4.95 114.28 109.56 1vnd n THR 17 Ca 0.02 0.00 0.15 0.00 -2.04 0.00 0.00 64.05 62.18 1vnd n THR 17 Cb 0.52 -0.25 0.90 0.00 -1.82 0.00 0.00 70.33 69.69 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 0.95 0.03 -2.82 -0.00 -1.26 -2.42 118.16 112.42 1vnd n LYS 18 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.09 1vnd n LYS 18 Cb 0.00 -1.50 -0.14 0.00 -0.00 0.00 0.00 35.03 33.39 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 3.90 0.10 0.05 0.58 0.00 -1.97 -3.34 119.26 118.58 1vnd h ALA 19 Ca 0.00 -1.00 -0.15 0.00 0.00 0.00 0.00 54.91 53.76 1vnd h ALA 19 Cb 0.00 0.38 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1vnd h ALA 19 CO 0.00 0.75 -0.63 1.96 0.00 0.00 0.00 179.25 181.33 1vnd h GLN 20 N -0.23 0.34 -0.22 0.00 1.08 -1.88 -3.03 115.11 111.15 1vnd h GLN 20 Ca -0.27 -0.43 -0.07 0.00 -1.45 0.00 0.00 58.65 56.42 1vnd h GLN 20 Cb 1.81 0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 29.36 1vnd h GLN 20 CO 0.11 1.13 -0.19 1.79 -0.95 0.00 0.00 178.83 180.72 1vnd h THR 21 N -0.26 1.23 -0.01 -0.54 1.35 -1.73 -2.99 112.91 109.97 1vnd h THR 21 Ca -0.09 -1.07 -0.00 0.00 -0.55 0.00 0.00 66.41 64.70 1vnd h THR 21 Cb 1.39 1.27 -0.00 0.00 -1.73 0.00 0.00 68.15 69.08 1vnd h THR 21 CO 0.12 0.34 0.00 0.22 -0.25 0.00 0.00 175.52 175.95 1vnd h TYR 22 N 0.35 0.02 -0.16 4.73 3.20 -1.68 -3.03 116.97 120.41 1vnd h TYR 22 Ca 0.06 -0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.77 1vnd h TYR 22 Cb 0.54 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 1vnd h TYR 22 CO 0.01 0.24 -0.58 0.93 -1.64 0.00 0.00 178.16 177.13 1vnd h GLU 23 N -0.22 0.50 -0.28 1.82 4.39 -1.57 -2.89 114.58 116.33 1vnd h GLU 23 Ca 0.00 -0.33 -0.19 0.00 0.34 0.00 0.00 59.36 59.19 1vnd h GLU 23 Cb 0.24 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1vnd h GLU 23 CO 0.00 0.94 -0.57 -0.07 -1.16 0.00 0.00 179.01 178.15 1vnd h LEU 24 N 0.38 0.98 -0.81 1.33 3.38 -1.61 -2.94 115.31 116.01 1vnd h LEU 24 Ca 0.00 -0.54 -0.12 0.00 0.09 0.00 0.00 57.88 57.31 1vnd h LEU 24 Cb 1.12 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1vnd h LEU 24 CO 0.10 1.34 -0.46 -0.33 0.09 0.00 0.00 178.44 179.19 1vnd h GLU 25 N 0.66 0.31 0.00 1.13 5.08 -1.63 -2.84 114.58 117.28 1vnd h GLU 25 Ca 0.01 -0.16 -0.12 0.00 -1.00 0.00 0.00 59.36 58.08 1vnd h GLU 25 Cb 1.18 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 1vnd h GLU 25 CO 0.13 0.71 -0.59 0.07 -1.00 0.00 0.00 179.01 178.33 1vnd h ARG 26 N 0.25 0.00 -0.00 2.33 0.11 -1.53 -2.94 114.38 112.60 1vnd h ARG 26 Ca 0.02 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 59.92 1vnd h ARG 26 Cb 0.91 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.97 1vnd h ARG 26 CO 0.07 0.59 -0.80 0.00 0.10 0.00 0.00 179.97 179.94 1vnd h ARG 27 N 0.00 0.08 0.00 0.08 2.47 -1.60 -3.35 114.38 112.06 1vnd h ARG 27 Ca -0.01 -0.08 -0.04 0.00 -1.26 0.00 0.00 59.98 58.59 1vnd h ARG 27 Cb 1.29 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 29.63 1vnd h ARG 27 CO 0.08 0.83 -0.18 0.35 0.56 0.00 0.00 179.97 181.61 1vnd h PHE 28 N 0.05 0.00 -0.07 3.04 3.57 -1.35 -1.87 116.94 120.31 1vnd h PHE 28 Ca -0.02 0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.30 1vnd h PHE 28 Cb 1.40 0.00 0.01 0.00 2.79 0.00 0.00 35.95 40.15 1vnd h PHE 28 CO 0.01 0.18 -0.65 0.00 -2.23 0.00 0.00 178.31 175.62 1vnd h ARG 29 N 0.00 0.57 0.00 1.11 2.47 -1.65 -3.38 114.38 113.50 1vnd h ARG 29 Ca -0.00 -0.52 -0.10 0.00 -1.26 0.00 0.00 59.98 58.10 1vnd h ARG 29 Cb 0.61 0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 29.03 1vnd h ARG 29 CO 0.02 1.14 -1.45 0.94 0.56 0.00 0.00 179.97 181.18 1vnd n GLN 30 N -4.12 0.63 -3.50 0.04 -0.06 -1.19 -4.98 117.38 104.19 1vnd n GLN 30 Ca -0.09 0.11 -0.14 0.00 -2.00 0.00 0.00 57.00 54.88 1vnd n GLN 30 Cb 0.68 -1.75 -0.04 0.00 -4.06 0.00 0.00 30.24 25.08 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 -3.12 1.15 -0.16 3.69 0.00 -0.71 -5.06 119.66 115.44 1vnd s GLN 31 Ca -0.04 -0.28 0.09 0.00 -0.00 0.00 0.00 55.36 55.14 1vnd s GLN 31 Cb 0.10 0.53 -0.17 0.00 0.00 0.00 0.00 33.01 33.47 1vnd s GLN 31 CO 0.82 -0.45 -0.02 0.54 0.00 0.00 0.00 175.29 176.18 1vnd n ARG 32 N 0.10 1.19 -4.49 9.60 1.74 -1.26 -3.87 116.66 119.68 1vnd n ARG 32 Ca -0.18 0.03 -0.24 0.00 -0.77 0.00 0.00 57.85 56.70 1vnd n ARG 32 Cb 0.62 -1.39 -0.13 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 -2.37 1.69 -0.20 -1.55 -0.85 -1.26 -4.99 117.35 107.81 1vnd s TYR 33 Ca -0.14 -0.38 -0.08 0.00 -0.52 0.00 0.00 57.07 55.95 1vnd s TYR 33 Cb 0.05 -0.98 0.08 0.00 0.38 0.00 0.00 41.96 41.49 1vnd s TYR 33 CO 0.56 0.11 0.45 -0.48 -1.52 0.00 0.00 175.55 174.68 1vnd s LEU 34 N -1.37 -0.55 0.38 -3.49 -0.00 -1.26 -5.15 118.68 107.22 1vnd s LEU 34 Ca 0.06 1.05 0.00 0.00 -0.00 0.00 0.00 54.13 55.24 1vnd s LEU 34 Cb -0.09 1.50 -0.03 0.00 -0.00 0.00 0.00 46.19 47.58 1vnd s LEU 34 CO 0.02 -0.22 0.59 -0.94 -0.00 0.00 0.00 176.35 175.80 1vnd s SER 35 N 2.23 6.22 0.31 1.48 1.04 -1.26 -4.69 113.70 119.02 1vnd s SER 35 Ca -0.05 0.46 0.05 0.00 0.48 0.00 0.00 55.95 56.90 1vnd s SER 35 Cb -0.10 -1.97 0.82 0.00 0.10 0.00 0.00 66.02 64.87 1vnd s SER 35 CO -0.14 -0.39 1.63 0.00 0.98 0.00 0.00 173.24 175.33 1vnd h ALA 36 N 0.65 1.44 -0.22 5.32 0.00 -1.97 -1.57 119.26 122.90 1vnd h ALA 36 Ca -0.49 0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 1vnd h ALA 36 Cb 1.22 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 1vnd h ALA 36 CO 0.61 -0.54 -0.26 -1.35 0.00 0.00 0.00 179.25 177.71 1vnd h PRO 37 N 0.18 0.42 0.00 0.00 0.11 -1.96 -3.00 132.00 127.75 1vnd h PRO 37 Ca 0.61 -0.16 -0.01 0.00 0.11 0.00 0.00 66.00 66.56 1vnd h PRO 37 Cb 1.30 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 1vnd h PRO 37 CO -0.69 0.66 -1.55 -0.85 -0.21 0.00 0.00 178.00 175.35 1vnd n GLU 38 N -4.12 0.64 0.06 1.05 0.00 -1.03 -4.02 120.64 113.22 1vnd n GLU 38 Ca -0.01 -0.05 -0.16 0.00 0.00 0.00 0.00 57.16 56.95 1vnd n GLU 38 Cb 0.40 -1.66 -0.14 0.00 0.00 0.00 0.00 31.44 30.04 1vnd n GLU 38 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.13 177.20 1vnd h ARG 39 N 0.00 0.23 0.00 3.44 0.11 -1.32 -3.04 114.38 113.80 1vnd h ARG 39 Ca -0.01 -0.39 0.00 0.00 0.10 0.00 0.00 59.98 59.68 1vnd h ARG 39 Cb 1.02 0.15 0.00 0.00 1.11 0.00 0.00 29.97 32.24 1vnd h ARG 39 CO 0.00 1.09 -0.11 0.93 0.10 0.00 0.00 179.97 181.99 1vnd h GLU 40 N 0.06 0.00 0.00 0.08 5.08 -1.75 -3.09 114.58 114.96 1vnd h GLU 40 Ca -0.22 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 57.95 1vnd h GLU 40 Cb 2.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.22 1vnd h GLU 40 CO 0.16 0.00 -0.91 1.25 -1.00 0.00 0.00 179.01 178.51 1vnd h HIS 41 N 0.00 0.00 -0.06 4.33 2.76 -1.70 -2.45 115.15 118.03 1vnd h HIS 41 Ca 0.00 0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 58.00 1vnd h HIS 41 Cb 0.81 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.76 1vnd h HIS 41 CO 0.00 0.85 -0.71 1.25 -1.30 0.00 0.00 177.93 178.02 1vnd h LEU 42 N 0.00 0.36 -0.13 0.26 7.12 -1.51 -2.41 115.31 118.99 1vnd h LEU 42 Ca -0.03 -0.24 -0.14 0.00 0.13 0.00 0.00 57.88 57.61 1vnd h LEU 42 Cb 1.67 -0.11 -0.02 0.00 -0.53 0.00 0.00 40.66 41.67 1vnd h LEU 42 CO 0.11 0.96 -0.67 0.00 -0.13 0.00 0.00 178.44 178.71 1vnd h ALA 43 N 1.03 0.61 0.00 1.25 0.00 -1.58 -2.73 119.26 117.83 1vnd h ALA 43 Ca -0.02 -0.61 -0.13 0.00 0.00 0.00 0.00 54.91 54.15 1vnd h ALA 43 Cb 1.27 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1vnd h ALA 43 CO 0.12 0.83 -0.81 0.77 0.00 0.00 0.00 179.25 180.16 1vnd h SER 44 N 0.00 0.00 -0.09 0.00 0.02 -1.48 0.92 113.55 112.91 1vnd h SER 44 Ca -0.01 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.70 1vnd h SER 44 Cb 1.46 0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.01 1vnd h SER 44 CO 0.09 0.53 -0.87 0.25 -1.14 0.00 0.00 176.83 175.68 1vnd h LEU 45 N 0.00 0.94 0.00 5.07 5.85 -1.48 -3.37 115.31 122.31 1vnd h LEU 45 Ca -0.05 -0.66 0.00 0.00 0.84 0.00 0.00 57.88 58.01 1vnd h LEU 45 Cb 1.45 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1vnd h LEU 45 CO 0.06 1.46 -1.38 2.30 -0.34 0.00 0.00 178.44 180.54 1vnd n ILE 46 N -3.91 0.00 -0.95 4.05 -5.35 -1.03 -5.05 119.36 107.13 1vnd n ILE 46 Ca -0.09 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.12 1vnd n ILE 46 Cb 0.80 0.49 0.00 0.00 -1.74 0.00 0.00 39.64 39.18 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 -2.35 6.28 3.00 -0.66 -4.99 116.66 116.13 1vnd n ARG 47 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 57.81 1vnd n ARG 47 Cb 0.38 -1.03 -0.01 0.00 0.00 0.00 0.00 32.46 31.79 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 -0.78 0.00 -4.71 6.15 4.77 0.23 -5.03 117.00 117.63 1vnd n LEU 48 Ca 0.00 -0.47 -0.23 0.00 -0.03 0.00 0.00 56.01 55.27 1vnd n LEU 48 Cb 0.29 0.20 -0.06 0.00 -2.33 0.00 0.00 43.42 41.51 1vnd n LEU 48 CO 0.00 -0.08 -0.28 0.42 -1.33 0.00 0.00 177.39 176.13 1vnd s THR 49 N -1.95 3.83 0.27 -5.08 -4.23 -1.26 -4.52 115.64 102.70 1vnd s THR 49 Ca 0.04 -1.64 0.37 0.00 -1.18 0.00 0.00 61.69 59.29 1vnd s THR 49 Cb 0.00 -3.03 0.40 0.00 1.34 0.00 0.00 72.50 71.21 1vnd s THR 49 CO 0.03 -0.31 2.11 -0.65 -0.54 0.00 0.00 174.62 175.26 1vnd h PRO 50 N 1.95 0.00 0.00 3.99 0.11 -1.86 -3.08 132.00 133.12 1vnd h PRO 50 Ca -0.46 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.39 1vnd h PRO 50 Cb 1.24 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.30 1vnd h PRO 50 CO 0.60 0.00 -1.54 0.00 -0.21 0.00 0.00 178.00 176.85 1vnd h THR 51 N 0.00 0.88 0.05 -1.15 1.03 -1.90 -2.95 112.91 108.88 1vnd h THR 51 Ca 0.00 -2.64 -0.28 0.00 -0.01 0.00 0.00 66.41 63.48 1vnd h THR 51 Cb 0.29 2.40 -0.03 0.00 -1.07 0.00 0.00 68.15 69.74 1vnd h THR 51 CO 0.00 0.50 -1.44 0.06 -0.01 0.00 0.00 175.52 174.63 1vnd h GLN 52 N 0.00 0.11 -0.38 0.00 3.07 -1.87 -2.09 115.11 113.95 1vnd h GLN 52 Ca -0.22 -0.19 -0.09 0.00 0.09 0.00 0.00 58.65 58.24 1vnd h GLN 52 Cb 1.89 0.07 -0.01 0.00 0.08 0.00 0.00 27.48 29.51 1vnd h GLN 52 CO 0.08 0.92 -0.09 -0.24 0.09 0.00 0.00 178.83 179.58 1vnd h VAL 53 N 0.03 1.28 -0.54 1.86 3.04 -1.70 -2.53 116.25 117.69 1vnd h VAL 53 Ca -0.19 -1.17 -0.06 0.00 -1.01 0.00 0.00 66.70 64.26 1vnd h VAL 53 Cb 1.95 1.25 -0.02 0.00 -2.01 0.00 0.00 31.29 32.45 1vnd h VAL 53 CO 0.13 0.39 0.10 0.50 -1.01 0.00 0.00 177.57 177.68 1vnd h LYS 54 N 0.55 0.85 0.00 4.17 3.11 -1.61 -2.65 116.57 120.98 1vnd h LYS 54 Ca 0.10 -0.19 0.00 0.00 -2.81 0.00 0.00 60.65 57.75 1vnd h LYS 54 Cb 0.61 -0.12 0.00 0.00 -1.00 0.00 0.00 32.23 31.72 1vnd h LYS 54 CO 0.04 0.78 0.00 -0.89 -2.81 0.00 0.00 179.45 176.57 1vnd n ILE 55 N -4.25 0.32 0.01 2.00 2.08 -0.79 -2.30 119.36 116.43 1vnd n ILE 55 Ca 0.04 0.03 -0.19 0.00 0.56 0.00 0.00 62.75 63.19 1vnd n ILE 55 Cb 0.25 -0.65 -0.10 0.00 -0.75 0.00 0.00 39.64 38.40 1vnd n ILE 55 CO 0.00 0.00 0.00 -0.25 0.56 0.00 0.00 176.55 176.86 1vnd h TRP 56 N 0.00 0.94 -0.00 1.39 7.01 -1.10 -3.18 115.95 121.01 1vnd h TRP 56 Ca 0.00 -0.48 0.00 0.00 2.11 0.00 0.00 58.89 60.52 1vnd h TRP 56 Cb 0.47 -0.12 0.00 0.00 -2.10 0.00 0.00 29.16 27.41 1vnd h TRP 56 CO 0.00 1.30 -0.18 1.19 -2.79 0.00 0.00 178.44 177.96 1vnd n PHE 57 N -3.99 0.00 -0.06 2.65 3.01 -1.10 -2.21 117.46 115.76 1vnd n PHE 57 Ca -0.10 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.22 1vnd n PHE 57 Cb 0.78 -0.26 -0.06 0.00 -0.01 0.00 0.00 39.48 39.92 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 0.36 0.59 0.06 -1.08 4.15 -1.55 -3.41 115.11 114.23 1vnd h GLN 58 Ca 0.00 -0.38 -0.33 0.00 0.77 0.00 0.00 58.65 58.72 1vnd h GLN 58 Cb 0.43 0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.13 1vnd h GLN 58 CO 0.00 0.99 -1.85 0.09 -1.93 0.00 0.00 178.83 176.13 1vnd n ASN 59 N -4.28 1.42 0.07 -0.69 3.02 -1.17 -4.49 115.26 109.14 1vnd n ASN 59 Ca -0.06 0.32 0.13 0.00 -0.03 0.00 0.00 54.58 54.93 1vnd n ASN 59 Cb 0.52 -0.40 0.35 0.00 -0.61 0.00 0.00 39.78 39.64 1vnd n ASN 59 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1vnd n HIS 60 N -3.23 0.59 -1.43 3.10 -0.00 -0.94 -3.95 115.22 109.36 1vnd n HIS 60 Ca -0.24 0.17 -0.26 0.00 0.46 0.00 0.00 57.72 57.85 1vnd n HIS 60 Cb 1.05 -0.72 -0.08 0.00 -0.12 0.00 0.00 29.99 30.12 1vnd n HIS 60 CO 0.00 0.00 0.00 2.89 0.46 0.00 0.00 176.34 179.69 1vnd n ARG 61 N -2.03 2.72 -2.72 1.57 1.85 -1.26 -4.78 116.66 112.00 1vnd n ARG 61 Ca 0.05 -2.15 -0.08 0.00 -1.00 0.00 0.00 57.85 54.67 1vnd n ARG 61 Cb 0.41 -2.22 0.10 0.00 -1.05 0.00 0.00 32.46 29.70 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 1.61 -2.69 -3.11 2.89 4.19 -1.25 -5.04 117.16 113.75 1vnd n TYR 62 Ca 0.51 -2.04 -0.13 0.00 3.31 0.00 0.00 57.90 59.55 1vnd n TYR 62 Cb 0.58 1.62 0.07 0.00 0.49 0.00 0.00 39.34 42.10 1vnd n TYR 62 CO 0.00 0.00 0.00 1.63 0.91 0.00 0.00 176.86 179.40 1vnd n LYS 63 N -0.07 -4.81 -3.15 2.98 4.01 -1.26 -4.80 118.16 111.06 1vnd n LYS 63 Ca 0.02 0.68 -0.45 0.00 -0.51 0.00 0.00 58.31 58.05 1vnd n LYS 63 Cb 0.77 -5.17 -0.03 0.00 -0.51 0.00 0.00 35.03 30.08 1vnd n LYS 63 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1vnd s THR 64 N -3.29 5.08 -0.05 -0.18 2.01 -1.26 -4.92 115.64 113.03 1vnd s THR 64 Ca 0.05 -1.65 0.00 0.00 0.31 0.00 0.00 61.69 60.40 1vnd s THR 64 Cb -0.01 -4.54 0.00 0.00 0.01 0.00 0.00 72.50 67.96 1vnd s THR 64 CO 0.59 -1.17 0.00 2.29 -0.69 0.00 0.00 174.62 175.64 1vnd n LYS 65 N 5.54 0.00 -3.63 4.92 2.85 -1.26 -4.81 118.16 121.76 1vnd n LYS 65 Ca 0.06 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 56.93 1vnd n LYS 65 Cb 0.45 -0.92 -0.09 0.00 -0.65 0.00 0.00 35.03 33.83 1vnd n LYS 65 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 1vnd s ARG 66 N 0.34 2.42 -0.94 -1.58 6.06 -1.26 -5.01 118.95 118.98 1vnd s ARG 66 Ca 0.00 -1.96 -0.11 0.00 -2.50 0.00 0.00 55.73 51.16 1vnd s ARG 66 Cb 0.00 -3.83 0.24 0.00 0.06 0.00 0.00 34.95 31.43 1vnd s ARG 66 CO 0.00 -1.16 0.90 0.00 -2.50 0.00 0.00 175.30 172.54 1vnd s ALA 67 N 0.98 4.35 -0.62 6.12 0.00 -1.26 -5.00 121.76 126.33 1vnd s ALA 67 Ca 0.09 -3.56 -0.09 0.00 0.00 0.00 0.00 51.96 48.40 1vnd s ALA 67 Cb -0.23 -3.48 0.16 0.00 0.00 0.00 0.00 23.12 19.57 1vnd s ALA 67 CO -0.03 -2.24 0.50 1.14 0.00 0.00 0.00 175.76 175.14 1vnd s GLN 68 N -0.51 2.85 -0.38 0.00 -2.07 -1.26 -4.85 119.66 113.43 1vnd s GLN 68 Ca 0.24 -2.18 0.11 0.00 -1.82 0.00 0.00 55.36 51.71 1vnd s GLN 68 Cb -0.10 -4.03 0.37 0.00 -1.09 0.00 0.00 33.01 28.15 1vnd s GLN 68 CO -0.09 -1.22 0.93 -1.71 -1.32 0.00 0.00 175.29 171.88 1vnd n ASN 69 N 4.25 -0.09 0.00 12.60 2.85 -1.26 -5.05 115.26 128.56 1vnd n ASN 69 Ca 0.02 -3.06 0.00 0.00 -0.11 0.00 0.00 54.58 51.43 1vnd n ASN 69 Cb 0.42 0.18 0.00 0.00 1.24 0.00 0.00 39.78 41.62 1vnd n ASN 69 CO 0.00 0.00 0.00 -1.84 -2.11 0.00 0.00 177.26 173.31 1vnd n GLU 70 N 0.14 0.00 -3.30 1.20 -0.00 -1.26 -4.57 120.64 112.85 1vnd n GLU 70 Ca 0.14 0.00 -0.39 0.00 -0.00 0.00 0.00 57.16 56.91 1vnd n GLU 70 Cb 0.72 -0.40 -0.07 0.00 -0.00 0.00 0.00 31.44 31.69 1vnd n GLU 70 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1vnd s LYS 71 N 0.00 4.14 0.00 3.44 -0.14 -1.26 -4.29 119.74 121.62 1vnd s LYS 71 Ca 0.00 0.29 0.00 0.00 -1.36 0.00 0.00 55.97 54.90 1vnd s LYS 71 Cb 0.00 -3.59 0.00 0.00 -1.68 0.00 0.00 37.83 32.56 1vnd s LYS 71 CO 0.00 -0.18 0.00 0.41 -0.76 0.00 0.00 175.35 174.82 1vnd n GLY 72 N 4.11 0.84 3.06 -3.33 0.00 -1.26 -4.79 105.19 103.82 1vnd n GLY 72 Ca -0.06 -0.81 -0.10 0.00 0.00 0.00 0.00 46.02 45.04 1vnd n GLY 72 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1vnd s TYR 73 N -1.79 0.11 -0.09 1.61 5.04 -1.26 -4.98 117.35 116.00 1vnd s TYR 73 Ca 0.00 -0.26 -0.03 0.00 -2.44 0.00 0.00 57.07 54.34 1vnd s TYR 73 Cb 0.00 -0.09 -0.10 0.00 0.35 0.00 0.00 41.96 42.12 1vnd s TYR 73 CO 0.00 -0.25 2.85 -0.85 -1.34 0.00 0.00 175.55 175.97 1vnd n GLU 74 N 1.56 1.72 0.00 4.97 0.28 -1.26 -4.93 120.64 122.97 1vnd n GLU 74 Ca -0.23 -0.91 0.00 0.00 -0.16 0.00 0.00 57.16 55.86 1vnd n GLU 74 Cb 0.55 -1.66 0.00 0.00 1.43 0.00 0.00 31.44 31.76 1vnd n GLU 74 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1vnd n GLY 75 N 1.77 1.22 3.55 -1.84 0.00 -1.26 -4.86 105.19 103.76 1vnd n GLY 75 Ca 0.29 -0.81 -0.14 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 -0.70 -2.00 1.61 5.65 -1.26 -5.16 115.29 113.43 1vnd s HIS 76 Ca 0.00 1.69 0.24 0.00 0.25 0.00 0.00 55.06 57.23 1vnd s HIS 76 Cb 0.00 0.25 1.43 0.00 -1.18 0.00 0.00 32.58 33.08 1vnd s HIS 76 CO 0.00 -0.35 1.79 -0.35 -0.65 0.00 0.00 174.74 175.18