#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 3.50 -0.31 0.00 2.88 -1.26 -5.03 113.62 113.41 1vnd n SER 2 Ca 0.00 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.55 1vnd n SER 2 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 1vnd n SER 2 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1vnd n ASP 3 N 0.00 0.37 0.00 -3.46 8.00 -1.26 -4.59 116.55 115.62 1vnd n ASP 3 Ca 0.00 -1.90 0.00 0.00 0.71 0.00 0.00 54.79 53.60 1vnd n ASP 3 Cb 0.00 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 1vnd n ASP 3 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vnd n GLY 4 N -0.20 4.20 2.90 0.44 0.00 -1.26 -4.86 105.19 106.42 1vnd n GLY 4 Ca 0.02 -1.72 -0.30 0.00 0.00 0.00 0.00 46.02 44.01 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 2.97 0.38 0.99 1.02 -1.26 -3.23 118.68 119.55 1vnd s LEU 5 Ca 0.00 -1.51 -0.18 0.00 0.02 0.00 0.00 54.13 52.46 1vnd s LEU 5 Cb 0.00 -1.20 -0.10 0.00 0.02 0.00 0.00 46.19 44.92 1vnd s LEU 5 CO 0.00 -0.31 0.84 -2.16 0.02 0.00 0.00 176.35 174.73 1vnd s PRO 6 N 1.34 4.10 -0.07 1.29 0.04 -1.26 -5.00 135.00 135.45 1vnd s PRO 6 Ca 0.02 0.87 0.21 0.00 0.04 0.00 0.00 61.00 62.14 1vnd s PRO 6 Cb -0.18 -2.31 -0.32 0.00 0.04 0.00 0.00 34.50 31.73 1vnd s PRO 6 CO -0.11 0.06 0.39 0.27 0.04 0.00 0.00 177.00 177.64 1vnd n ASN 7 N -0.54 0.06 -1.92 6.66 6.94 -1.26 -2.86 115.26 122.34 1vnd n ASN 7 Ca 0.05 0.00 -0.23 0.00 -0.02 0.00 0.00 54.58 54.38 1vnd n ASN 7 Cb 0.54 1.78 0.07 0.00 -2.36 0.00 0.00 39.78 39.80 1vnd n ASN 7 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1vnd n LYS 8 N -2.36 3.00 0.00 -3.83 4.76 -1.26 -4.52 118.16 113.96 1vnd n LYS 8 Ca -0.10 -3.74 0.00 0.00 -2.87 0.00 0.00 58.31 51.60 1vnd n LYS 8 Cb 0.69 -2.19 0.00 0.00 -1.84 0.00 0.00 35.03 31.69 1vnd n LYS 8 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1vnd n LYS 9 N -0.85 0.00 0.00 1.97 4.81 -1.26 -5.07 118.16 117.75 1vnd n LYS 9 Ca 0.47 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.91 1vnd n LYS 9 Cb 0.90 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.95 1vnd n LYS 9 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1vnd n ARG 10 N -2.35 0.00 -3.57 1.64 5.12 -1.13 -4.98 116.66 111.39 1vnd n ARG 10 Ca 0.00 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.55 1vnd n ARG 10 Cb 0.00 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.24 1vnd n ARG 10 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 1vnd s LYS 11 N 0.00 3.81 0.17 5.56 -2.85 -1.26 -3.39 119.74 121.78 1vnd s LYS 11 Ca 0.00 0.27 0.00 0.00 -1.00 0.00 0.00 55.97 55.24 1vnd s LYS 11 Cb 0.00 -3.13 0.00 0.00 -2.06 0.00 0.00 37.83 32.64 1vnd s LYS 11 CO 0.00 0.65 0.00 2.89 0.10 0.00 0.00 175.35 178.99 1vnd n ARG 12 N 1.48 -2.56 -3.10 1.78 1.85 -1.26 -4.79 116.66 110.06 1vnd n ARG 12 Ca -0.12 1.84 -0.19 0.00 -1.00 0.00 0.00 57.85 58.38 1vnd n ARG 12 Cb 0.53 -2.29 0.01 0.00 -1.05 0.00 0.00 32.46 29.66 1vnd n ARG 12 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1vnd s ARG 13 N -1.19 2.90 -0.18 2.89 1.81 -1.20 -4.13 118.95 119.85 1vnd s ARG 13 Ca 0.00 -1.02 0.16 0.00 -1.72 0.00 0.00 55.73 53.14 1vnd s ARG 13 Cb 0.00 -2.72 0.67 0.00 -0.45 0.00 0.00 34.95 32.46 1vnd s ARG 13 CO 0.00 -0.23 1.59 0.28 -0.68 0.00 0.00 175.30 176.25 1vnd n VAL 14 N -1.88 2.32 -2.73 3.52 0.31 -1.26 -4.36 118.33 114.25 1vnd n VAL 14 Ca 0.05 -1.51 -0.42 0.00 -0.01 0.00 0.00 64.34 62.45 1vnd n VAL 14 Cb 0.59 -0.14 -0.03 0.00 -0.91 0.00 0.00 33.84 33.34 1vnd n VAL 14 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1vnd s LEU 15 N -2.50 3.86 0.32 7.52 1.02 -1.26 -5.01 118.68 122.62 1vnd s LEU 15 Ca 0.48 -0.75 -0.12 0.00 0.02 0.00 0.00 54.13 53.75 1vnd s LEU 15 Cb 0.36 -2.48 -0.08 0.00 0.02 0.00 0.00 46.19 44.01 1vnd s LEU 15 CO 0.15 -1.61 0.70 -0.36 0.02 0.00 0.00 176.35 175.25 1vnd s PHE 16 N 4.78 3.41 0.00 0.29 0.08 -1.26 -4.54 117.98 120.74 1vnd s PHE 16 Ca 0.28 1.07 0.00 0.00 0.12 0.00 0.00 56.93 58.40 1vnd s PHE 16 Cb -0.13 -2.43 0.00 0.00 -0.57 0.00 0.00 43.02 39.89 1vnd s PHE 16 CO 0.12 0.08 0.00 2.41 -0.10 0.00 0.00 175.22 177.74 1vnd n THR 17 N -0.59 0.00 1.83 0.64 -1.04 -1.26 -5.00 114.28 108.86 1vnd n THR 17 Ca 0.02 0.00 0.16 0.00 -2.04 0.00 0.00 64.05 62.19 1vnd n THR 17 Cb 0.53 -0.40 0.86 0.00 -1.82 0.00 0.00 70.33 69.51 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 -0.39 0.96 0.10 -2.82 2.85 -1.26 -2.76 118.16 114.83 1vnd n LYS 18 Ca 0.00 -0.10 -0.23 0.00 -1.05 0.00 0.00 58.31 56.93 1vnd n LYS 18 Cb 0.00 -1.50 -0.15 0.00 -0.65 0.00 0.00 35.03 32.73 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 3.92 -0.07 0.04 0.58 0.00 -2.00 -3.36 119.26 118.38 1vnd h ALA 19 Ca 0.00 -0.89 -0.13 0.00 0.00 0.00 0.00 54.91 53.90 1vnd h ALA 19 Cb 0.11 0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.15 1vnd h ALA 19 CO 0.00 0.68 -0.52 1.96 0.00 0.00 0.00 179.25 181.37 1vnd h GLN 20 N -0.03 0.28 -0.28 0.00 1.08 -1.90 -3.02 115.11 111.24 1vnd h GLN 20 Ca -0.25 -0.36 -0.13 0.00 -1.45 0.00 0.00 58.65 56.46 1vnd h GLN 20 Cb 2.00 0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 29.53 1vnd h GLN 20 CO 0.21 1.09 -0.37 1.79 -0.95 0.00 0.00 178.83 180.60 1vnd h THR 21 N -0.36 1.29 0.35 -0.54 1.35 -1.78 -3.02 112.91 110.21 1vnd h THR 21 Ca -0.08 -1.52 -0.02 0.00 -0.55 0.00 0.00 66.41 64.25 1vnd h THR 21 Cb 1.30 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 69.19 1vnd h THR 21 CO 0.10 0.49 -0.17 0.22 -0.25 0.00 0.00 175.52 175.91 1vnd h TYR 22 N 0.54 -0.44 -0.17 4.73 3.20 -1.71 -3.02 116.97 120.11 1vnd h TYR 22 Ca 0.05 -0.01 -0.19 0.00 3.14 0.00 0.00 58.73 61.72 1vnd h TYR 22 Cb 0.88 0.15 -0.00 0.00 1.54 0.00 0.00 36.73 39.29 1vnd h TYR 22 CO 0.04 -0.25 -0.66 0.93 -1.64 0.00 0.00 178.16 176.58 1vnd h GLU 23 N -0.51 0.64 -0.46 1.82 4.39 -1.58 -2.90 114.58 115.98 1vnd h GLU 23 Ca -0.05 -0.46 -0.12 0.00 0.34 0.00 0.00 59.36 59.06 1vnd h GLU 23 Cb 0.39 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 1vnd h GLU 23 CO 0.08 1.09 -0.19 -0.07 -1.16 0.00 0.00 179.01 178.75 1vnd h LEU 24 N 0.46 0.96 -0.73 1.33 3.38 -1.64 -3.03 115.31 116.04 1vnd h LEU 24 Ca -0.02 -0.39 -0.13 0.00 0.09 0.00 0.00 57.88 57.43 1vnd h LEU 24 Cb 1.25 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1vnd h LEU 24 CO 0.13 1.14 -0.49 -0.33 0.09 0.00 0.00 178.44 178.97 1vnd h GLU 25 N 0.78 0.35 0.01 1.13 4.39 -1.62 -2.99 114.58 116.62 1vnd h GLU 25 Ca 0.11 -0.20 -0.20 0.00 0.34 0.00 0.00 59.36 59.41 1vnd h GLU 25 Cb 0.76 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 1vnd h GLU 25 CO 0.06 0.76 -0.90 0.07 -1.16 0.00 0.00 179.01 177.85 1vnd h ARG 26 N 0.28 0.22 0.00 2.33 0.11 -1.52 -2.84 114.38 112.95 1vnd h ARG 26 Ca 0.01 -0.24 -0.02 0.00 0.10 0.00 0.00 59.98 59.83 1vnd h ARG 26 Cb 0.97 0.07 -0.00 0.00 1.11 0.00 0.00 29.97 32.12 1vnd h ARG 26 CO 0.08 0.98 -0.10 0.00 0.10 0.00 0.00 179.97 181.03 1vnd h ARG 27 N 0.12 0.00 0.00 0.08 2.47 -1.65 -3.23 114.38 112.17 1vnd h ARG 27 Ca -0.05 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.62 1vnd h ARG 27 Cb 1.53 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.85 1vnd h ARG 27 CO 0.14 0.10 -0.23 0.35 0.56 0.00 0.00 179.97 180.88 1vnd h PHE 28 N 0.00 0.00 0.18 3.04 3.57 -1.39 -2.60 116.94 119.74 1vnd h PHE 28 Ca -0.00 0.00 -0.35 0.00 3.53 0.00 0.00 57.97 61.15 1vnd h PHE 28 Cb 0.87 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.62 1vnd h PHE 28 CO 0.00 0.23 -1.77 0.00 -2.23 0.00 0.00 178.31 174.54 1vnd h ARG 29 N 0.00 0.38 0.00 1.11 2.47 -1.57 -3.39 114.38 113.37 1vnd h ARG 29 Ca -0.00 -0.64 -0.03 0.00 -1.26 0.00 0.00 59.98 58.04 1vnd h ARG 29 Cb 0.95 0.24 -0.01 0.00 -1.65 0.00 0.00 29.97 29.50 1vnd h ARG 29 CO 0.03 1.31 -0.71 0.37 0.56 0.00 0.00 179.97 181.53 1vnd h GLN 30 N 0.09 0.00 0.00 0.04 5.75 -1.68 -3.48 115.11 115.83 1vnd h GLN 30 Ca -0.35 0.00 -0.34 0.00 -0.15 0.00 0.00 58.65 57.81 1vnd h GLN 30 Cb 2.08 0.00 -0.08 0.00 1.07 0.00 0.00 27.48 30.55 1vnd h GLN 30 CO 0.16 0.09 -0.30 1.04 -2.65 0.00 0.00 178.83 177.18 1vnd n GLN 31 N -2.89 0.53 -0.06 1.69 1.13 -0.98 -5.08 117.38 111.73 1vnd n GLN 31 Ca 0.00 -2.19 -0.09 0.00 -1.94 0.00 0.00 57.00 52.78 1vnd n GLN 31 Cb 0.60 1.42 -0.03 0.00 0.11 0.00 0.00 30.24 32.34 1vnd n GLN 31 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1vnd n ARG 32 N -0.52 0.38 -4.46 -1.09 1.74 -1.26 -4.51 116.66 106.93 1vnd n ARG 32 Ca -0.00 0.15 -0.28 0.00 -0.77 0.00 0.00 57.85 56.95 1vnd n ARG 32 Cb 0.39 -1.15 -0.13 0.00 -1.02 0.00 0.00 32.46 30.55 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 -2.58 2.14 -0.20 -1.55 1.13 -1.26 -4.85 117.35 110.19 1vnd s TYR 33 Ca -0.21 -0.39 -0.07 0.00 -1.41 0.00 0.00 57.07 54.98 1vnd s TYR 33 Cb 0.04 -1.19 0.09 0.00 -1.10 0.00 0.00 41.96 39.80 1vnd s TYR 33 CO 0.31 0.25 0.42 -0.48 -2.51 0.00 0.00 175.55 173.54 1vnd s LEU 34 N -1.83 -0.62 0.62 -3.49 -0.00 -1.26 -5.15 118.68 106.95 1vnd s LEU 34 Ca 0.11 0.99 -0.03 0.00 -0.00 0.00 0.00 54.13 55.20 1vnd s LEU 34 Cb -0.10 1.35 0.04 0.00 -0.00 0.00 0.00 46.19 47.49 1vnd s LEU 34 CO 0.05 -0.23 0.89 -0.94 -0.00 0.00 0.00 176.35 176.12 1vnd s SER 35 N 2.55 5.10 0.38 1.48 1.04 -1.26 -4.62 113.70 118.37 1vnd s SER 35 Ca -0.02 0.27 0.15 0.00 0.48 0.00 0.00 55.95 56.84 1vnd s SER 35 Cb -0.12 -1.07 1.02 0.00 0.10 0.00 0.00 66.02 65.95 1vnd s SER 35 CO -0.13 -1.34 1.77 0.00 0.98 0.00 0.00 173.24 174.53 1vnd h ALA 36 N -0.25 2.09 -0.01 5.32 0.00 -2.02 0.40 119.26 124.78 1vnd h ALA 36 Ca -0.44 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 1vnd h ALA 36 Cb 1.30 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1vnd h ALA 36 CO 0.57 -0.49 -0.38 -1.35 0.00 0.00 0.00 179.25 177.60 1vnd h PRO 37 N 0.47 0.02 0.00 0.00 0.11 -1.99 -2.99 132.00 127.62 1vnd h PRO 37 Ca 0.59 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.64 1vnd h PRO 37 Cb 1.35 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.45 1vnd h PRO 37 CO -0.32 0.40 -2.00 -0.85 -0.21 0.00 0.00 178.00 175.01 1vnd n GLU 38 N -4.08 0.66 0.06 1.05 0.28 -0.93 -4.15 120.64 113.52 1vnd n GLU 38 Ca -0.02 -0.16 -0.16 0.00 -0.16 0.00 0.00 57.16 56.66 1vnd n GLU 38 Cb 0.42 -1.49 -0.14 0.00 1.43 0.00 0.00 31.44 31.65 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 0.22 0.00 3.44 2.43 -1.01 -3.04 114.38 116.43 1vnd h ARG 39 Ca -0.08 -0.38 -0.02 0.00 -0.81 0.00 0.00 59.98 58.69 1vnd h ARG 39 Cb 1.13 0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.82 1vnd h ARG 39 CO 0.00 1.08 -0.10 0.93 -1.51 0.00 0.00 179.97 180.37 1vnd h GLU 40 N 0.06 0.00 0.00 0.20 4.39 -1.77 -2.97 114.58 114.49 1vnd h GLU 40 Ca -0.23 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.23 1vnd h GLU 40 Cb 2.00 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 30.61 1vnd h GLU 40 CO 0.16 0.10 -1.24 1.25 -1.16 0.00 0.00 179.01 178.12 1vnd h HIS 41 N 0.00 0.01 -0.12 4.33 2.76 -1.72 -2.56 115.15 117.84 1vnd h HIS 41 Ca -0.00 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.14 1vnd h HIS 41 Cb 1.07 -0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.02 1vnd h HIS 41 CO 0.00 1.01 -0.00 1.25 -1.30 0.00 0.00 177.93 178.88 1vnd h LEU 42 N 0.00 0.21 -1.07 0.26 7.12 -1.58 -2.78 115.31 117.48 1vnd h LEU 42 Ca -0.10 -0.32 -0.09 0.00 0.13 0.00 0.00 57.88 57.50 1vnd h LEU 42 Cb 1.85 -0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 41.91 1vnd h LEU 42 CO 0.11 0.48 -0.44 0.00 -0.13 0.00 0.00 178.44 178.46 1vnd h ALA 43 N 0.74 1.17 0.00 1.25 0.00 -1.61 -2.30 119.26 118.51 1vnd h ALA 43 Ca 0.03 -0.40 -0.19 0.00 0.00 0.00 0.00 54.91 54.35 1vnd h ALA 43 Cb 0.37 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1vnd h ALA 43 CO 0.01 0.55 -1.07 0.77 0.00 0.00 0.00 179.25 179.51 1vnd h SER 44 N 0.00 0.00 0.07 0.00 0.02 -1.53 -0.58 113.55 111.52 1vnd h SER 44 Ca -0.00 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.74 1vnd h SER 44 Cb 0.83 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.38 1vnd h SER 44 CO 0.06 0.83 -0.75 0.25 -1.14 0.00 0.00 176.83 176.07 1vnd h LEU 45 N 0.00 0.70 0.00 5.07 7.12 -1.44 -3.36 115.31 123.40 1vnd h LEU 45 Ca -0.08 -0.46 0.00 0.00 0.13 0.00 0.00 57.88 57.47 1vnd h LEU 45 Cb 1.70 -0.21 0.00 0.00 -0.53 0.00 0.00 40.66 41.62 1vnd h LEU 45 CO 0.09 1.22 -1.06 2.30 -0.13 0.00 0.00 178.44 180.87 1vnd n ILE 46 N -3.88 0.00 -1.50 4.05 -5.35 -0.87 -5.04 119.36 106.77 1vnd n ILE 46 Ca -0.06 -0.21 0.00 0.00 -0.27 0.00 0.00 62.75 62.21 1vnd n ILE 46 Cb 0.72 0.71 0.00 0.00 -1.74 0.00 0.00 39.64 39.33 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 -1.59 0.00 -4.19 6.28 3.00 -0.82 -4.98 116.66 114.37 1vnd n ARG 47 Ca 0.01 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.57 1vnd n ARG 47 Cb 0.30 -1.55 -0.03 0.00 0.00 0.00 0.00 32.46 31.18 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 -0.73 2.51 0.15 6.15 2.01 -0.29 -4.75 118.68 123.73 1vnd s LEU 48 Ca 0.00 -1.41 -0.03 0.00 0.01 0.00 0.00 54.13 52.70 1vnd s LEU 48 Cb 0.00 -1.00 -0.05 0.00 0.01 0.00 0.00 46.19 45.16 1vnd s LEU 48 CO 0.00 -1.07 0.36 0.42 1.01 0.00 0.00 176.35 177.07 1vnd s THR 49 N -2.83 5.21 0.42 5.49 -4.23 -1.22 -4.65 115.64 113.84 1vnd s THR 49 Ca 0.23 -0.17 0.33 0.00 -1.18 0.00 0.00 61.69 60.89 1vnd s THR 49 Cb -0.01 -3.66 0.33 0.00 1.34 0.00 0.00 72.50 70.49 1vnd s THR 49 CO 0.14 -0.02 1.99 -0.65 -0.54 0.00 0.00 174.62 175.53 1vnd h PRO 50 N 2.56 0.00 0.13 3.99 0.11 -1.95 -3.07 132.00 133.77 1vnd h PRO 50 Ca -0.46 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.30 1vnd h PRO 50 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1vnd h PRO 50 CO 0.71 0.00 -1.84 0.00 -0.21 0.00 0.00 178.00 176.66 1vnd h THR 51 N 0.00 0.75 -0.47 -1.15 1.03 -1.99 -3.00 112.91 108.07 1vnd h THR 51 Ca 0.00 -2.37 -0.11 0.00 -0.01 0.00 0.00 66.41 63.92 1vnd h THR 51 Cb 0.25 2.57 -0.02 0.00 -1.07 0.00 0.00 68.15 69.88 1vnd h THR 51 CO 0.00 0.84 -0.13 0.06 -0.01 0.00 0.00 175.52 176.28 1vnd h GLN 52 N -0.02 0.88 -0.22 0.00 3.07 -1.98 -2.85 115.11 113.98 1vnd h GLN 52 Ca -0.39 -0.32 -0.03 0.00 0.09 0.00 0.00 58.65 58.00 1vnd h GLN 52 Cb 1.98 -0.06 -0.01 0.00 0.08 0.00 0.00 27.48 29.47 1vnd h GLN 52 CO 0.09 0.96 0.02 -0.24 0.09 0.00 0.00 178.83 179.75 1vnd h VAL 53 N 0.79 1.24 -0.59 1.86 3.04 -1.68 -2.69 116.25 118.20 1vnd h VAL 53 Ca 0.12 -0.81 -0.02 0.00 -1.01 0.00 0.00 66.70 64.99 1vnd h VAL 53 Cb 0.65 1.35 -0.03 0.00 -2.01 0.00 0.00 31.29 31.26 1vnd h VAL 53 CO 0.05 0.25 0.28 0.50 -1.01 0.00 0.00 177.57 177.64 1vnd h LYS 54 N 0.15 0.85 -0.00 4.17 3.11 -1.58 -3.02 116.57 120.26 1vnd h LYS 54 Ca 0.06 -0.13 0.00 0.00 -2.81 0.00 0.00 60.65 57.78 1vnd h LYS 54 Cb 0.35 -0.15 0.00 0.00 -1.00 0.00 0.00 32.23 31.43 1vnd h LYS 54 CO 0.01 0.69 -0.25 -0.89 -2.81 0.00 0.00 179.45 176.20 1vnd n ILE 55 N -4.53 0.00 0.02 2.00 5.41 -1.08 -2.24 119.36 118.94 1vnd n ILE 55 Ca 0.04 -0.01 -0.19 0.00 1.00 0.00 0.00 62.75 63.59 1vnd n ILE 55 Cb 0.12 -0.11 -0.10 0.00 -0.71 0.00 0.00 39.64 38.84 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 0.05 0.97 0.00 1.39 7.01 -1.41 -3.07 115.95 120.89 1vnd h TRP 56 Ca 0.00 -0.50 0.00 0.00 2.11 0.00 0.00 58.89 60.50 1vnd h TRP 56 Cb 0.49 -0.12 0.00 0.00 -2.10 0.00 0.00 29.16 27.43 1vnd h TRP 56 CO 0.00 1.33 0.00 1.19 -2.79 0.00 0.00 178.44 178.17 1vnd n PHE 57 N -3.95 0.83 0.00 2.65 3.72 -1.15 -1.84 117.46 117.72 1vnd n PHE 57 Ca -0.10 0.25 -0.18 0.00 -0.05 0.00 0.00 57.45 57.37 1vnd n PHE 57 Cb 0.81 -0.90 -0.10 0.00 -0.94 0.00 0.00 39.48 38.34 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 0.49 0.00 -1.08 4.15 -1.55 -3.41 115.11 113.71 1vnd h GLN 58 Ca 0.00 -0.50 -0.19 0.00 0.77 0.00 0.00 58.65 58.73 1vnd h GLN 58 Cb 0.69 0.13 -0.03 0.00 0.21 0.00 0.00 27.48 28.48 1vnd h GLN 58 CO 0.00 1.14 -1.81 0.09 -1.93 0.00 0.00 178.83 176.32 1vnd n ASN 59 N -4.15 0.44 -1.44 -0.69 4.13 -1.16 -4.50 115.26 107.88 1vnd n ASN 59 Ca -0.10 0.19 -0.04 0.00 1.68 0.00 0.00 54.58 56.31 1vnd n ASN 59 Cb 0.70 0.78 0.16 0.00 -1.54 0.00 0.00 39.78 39.88 1vnd n ASN 59 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 1vnd n HIS 60 N -2.72 1.36 0.06 3.10 -0.00 -0.77 -3.15 115.22 113.11 1vnd n HIS 60 Ca -0.15 -0.79 -0.21 0.00 0.46 0.00 0.00 57.72 57.03 1vnd n HIS 60 Cb 0.87 -0.47 -0.15 0.00 -0.12 0.00 0.00 29.99 30.13 1vnd n HIS 60 CO 0.00 0.00 0.00 0.07 0.46 0.00 0.00 176.34 176.87 1vnd h ARG 61 N 1.34 0.33 -0.60 1.57 -0.00 -1.83 -3.49 114.38 111.70 1vnd h ARG 61 Ca 0.17 -0.57 -0.13 0.00 -0.00 0.00 0.00 59.98 59.45 1vnd h ARG 61 Cb 1.64 0.21 -0.03 0.00 -0.00 0.00 0.00 29.97 31.79 1vnd h ARG 61 CO 0.42 1.23 -0.14 0.98 -0.00 0.00 0.00 179.97 182.46 1vnd n TYR 62 N -3.53 -0.14 -3.43 4.08 4.19 -1.19 -3.31 117.16 113.83 1vnd n TYR 62 Ca -0.23 0.00 -0.19 0.00 3.31 0.00 0.00 57.90 60.79 1vnd n TYR 62 Cb 1.06 -1.66 0.04 0.00 0.49 0.00 0.00 39.34 39.27 1vnd n TYR 62 CO 0.00 0.00 0.00 0.36 0.91 0.00 0.00 176.86 178.13 1vnd n LYS 63 N -2.27 -1.55 0.08 2.98 0.00 -1.26 -4.29 118.16 111.86 1vnd n LYS 63 Ca -0.07 0.84 0.13 0.00 -0.00 0.00 0.00 58.31 59.21 1vnd n LYS 63 Cb 0.37 -4.77 0.62 0.00 -0.00 0.00 0.00 35.03 31.25 1vnd n LYS 63 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 1vnd h THR 64 N -0.97 0.88 -0.01 0.58 1.35 -1.98 -2.34 112.91 110.43 1vnd h THR 64 Ca -0.49 -0.04 -0.20 0.00 -0.55 0.00 0.00 66.41 65.13 1vnd h THR 64 Cb 1.27 0.76 -0.01 0.00 -1.73 0.00 0.00 68.15 68.44 1vnd h THR 64 CO 0.42 0.02 -0.87 0.11 -0.25 0.00 0.00 175.52 174.95 1vnd h LYS 65 N 0.11 0.30 -2.17 4.72 1.57 -1.90 -3.35 116.57 115.85 1vnd h LYS 65 Ca 0.16 -0.30 -0.58 0.00 -1.87 0.00 0.00 60.65 58.05 1vnd h LYS 65 Cb 0.49 0.08 -0.41 0.00 0.08 0.00 0.00 32.23 32.47 1vnd h LYS 65 CO -0.02 1.00 -0.73 0.54 -0.57 0.00 0.00 179.45 179.67 1vnd n ARG 66 N -3.72 2.27 -0.08 3.15 5.12 -0.88 -4.86 116.66 117.66 1vnd n ARG 66 Ca -0.05 -4.38 -0.06 0.00 -1.93 0.00 0.00 57.85 51.44 1vnd n ARG 66 Cb 0.80 -2.04 -0.16 0.00 -1.16 0.00 0.00 32.46 29.90 1vnd n ARG 66 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1vnd n ALA 67 N 0.66 1.78 0.15 7.54 0.00 -1.21 -3.84 120.51 125.59 1vnd n ALA 67 Ca 0.28 -1.15 0.01 0.00 0.00 0.00 0.00 53.44 52.58 1vnd n ALA 67 Cb 0.44 -0.29 0.33 0.00 0.00 0.00 0.00 19.45 19.93 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 0.11 -0.00 0.00 -0.00 -1.89 -3.33 115.11 109.99 1vnd h GLN 68 Ca -0.43 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.18 1vnd h GLN 68 Cb 1.97 -0.01 -0.00 0.00 -0.00 0.00 0.00 27.48 29.44 1vnd h GLN 68 CO 0.02 0.43 0.01 -2.95 -0.00 0.00 0.00 178.83 176.34 1vnd h ASN 69 N 0.09 0.00 -1.30 0.06 -1.07 -1.94 -3.42 115.58 108.00 1vnd h ASN 69 Ca 0.01 0.00 0.38 0.00 0.07 0.00 0.00 56.30 56.76 1vnd h ASN 69 Cb 0.63 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.83 1vnd h ASN 69 CO 0.05 0.00 0.94 1.05 0.07 0.00 0.00 177.43 179.54 1vnd h GLU 70 N 0.00 0.00 -4.97 4.14 -0.00 -1.74 -3.13 114.58 108.88 1vnd h GLU 70 Ca 0.00 0.00 -0.64 0.00 -0.00 0.00 0.00 59.36 58.72 1vnd h GLU 70 Cb 0.02 0.00 -0.21 0.00 -0.00 0.00 0.00 28.75 28.56 1vnd h GLU 70 CO -0.00 0.00 -0.59 -1.59 -0.00 0.00 0.00 179.01 176.83 1vnd s LYS 71 N -4.93 3.75 0.00 1.06 0.00 -1.26 -4.41 119.74 113.96 1vnd s LYS 71 Ca -0.05 -0.43 0.00 0.00 0.00 0.00 0.00 55.97 55.49 1vnd s LYS 71 Cb 0.23 -3.39 0.00 0.00 0.00 0.00 0.00 37.83 34.68 1vnd s LYS 71 CO 0.82 -0.14 0.00 0.41 0.00 0.00 0.00 175.35 176.44 1vnd n GLY 72 N 4.81 3.56 0.23 0.59 0.00 -1.25 -4.91 105.19 108.22 1vnd n GLY 72 Ca -0.16 -0.82 0.13 0.00 0.00 0.00 0.00 46.02 45.18 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 0.00 -0.93 1.61 3.20 -1.79 -3.24 116.97 115.83 1vnd h TYR 73 Ca 0.00 0.00 -0.54 0.00 3.14 0.00 0.00 58.73 61.33 1vnd h TYR 73 Cb 0.00 0.00 -0.43 0.00 1.54 0.00 0.00 36.73 37.84 1vnd h TYR 73 CO 0.00 0.00 -0.82 0.39 -1.64 0.00 0.00 178.16 176.09 1vnd n GLU 74 N -3.04 3.46 0.00 1.82 1.02 -1.26 -4.98 120.64 117.66 1vnd n GLU 74 Ca 0.03 -4.21 0.00 0.00 -0.02 0.00 0.00 57.16 52.96 1vnd n GLU 74 Cb 0.46 -2.23 0.00 0.00 -0.02 0.00 0.00 31.44 29.66 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 -0.64 -0.70 3.13 0.62 0.00 -1.24 -5.06 105.19 101.30 1vnd n GLY 75 Ca 0.41 0.28 -0.13 0.00 0.00 0.00 0.00 46.02 46.58 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 -0.26 -2.00 1.61 2.46 -1.22 -4.94 115.29 110.94 1vnd s HIS 76 Ca 0.00 0.63 0.24 0.00 0.47 0.00 0.00 55.06 56.40 1vnd s HIS 76 Cb 0.00 0.09 1.44 0.00 -0.13 0.00 0.00 32.58 33.98 1vnd s HIS 76 CO 0.00 -0.14 1.80 -0.35 -2.47 0.00 0.00 174.74 173.58