#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 0.25 -3.14 0.00 7.64 -1.26 -4.21 113.62 112.89 1vnd n SER 2 Ca 0.00 -2.03 -0.06 0.00 1.01 0.00 0.00 58.87 57.79 1vnd n SER 2 Cb 0.00 -0.23 -0.03 0.00 -1.01 0.00 0.00 64.21 62.95 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 -1.24 -0.70 0.00 6.43 -4.77 -1.26 -5.00 116.67 110.13 1vnd s ASP 3 Ca 0.07 -1.36 0.00 0.00 -3.30 0.00 0.00 52.55 47.96 1vnd s ASP 3 Cb 0.08 1.47 0.00 0.00 -1.09 0.00 0.00 42.92 43.38 1vnd s ASP 3 CO -0.03 -0.16 0.00 0.61 0.70 0.00 0.00 175.17 176.29 1vnd n GLY 4 N 3.90 1.54 3.54 2.12 0.00 -1.26 -4.99 105.19 110.03 1vnd n GLY 4 Ca 0.14 -0.79 -0.07 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.30 -0.43 0.99 2.34 -1.26 -4.94 118.68 115.09 1vnd s LEU 5 Ca 0.00 0.03 -0.26 0.00 0.06 0.00 0.00 54.13 53.96 1vnd s LEU 5 Cb 0.00 1.82 0.02 0.00 -0.56 0.00 0.00 46.19 47.47 1vnd s LEU 5 CO 0.00 -0.48 0.96 -2.16 -1.06 0.00 0.00 176.35 173.61 1vnd s PRO 6 N -2.75 3.68 -1.17 1.48 0.04 -1.26 -2.97 135.00 132.05 1vnd s PRO 6 Ca 0.06 0.38 -0.14 0.00 0.04 0.00 0.00 61.00 61.34 1vnd s PRO 6 Cb -0.01 -3.88 0.18 0.00 0.04 0.00 0.00 34.50 30.83 1vnd s PRO 6 CO -0.07 -1.14 1.37 0.54 0.04 0.00 0.00 177.00 177.73 1vnd s ASN 7 N 2.15 7.04 0.00 6.66 4.22 -1.26 -4.27 114.94 129.48 1vnd s ASN 7 Ca 0.39 -2.95 0.00 0.00 -2.14 0.00 0.00 52.86 48.16 1vnd s ASN 7 Cb -0.10 -2.38 0.00 0.00 1.28 0.00 0.00 41.25 40.04 1vnd s ASN 7 CO 0.24 -0.74 0.00 0.29 -2.04 0.00 0.00 177.10 174.86 1vnd n LYS 8 N 5.46 0.00 -0.02 3.55 4.76 -1.26 -5.05 118.16 125.60 1vnd n LYS 8 Ca 0.34 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.77 1vnd n LYS 8 Cb 0.43 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.57 1vnd n LYS 8 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1vnd n LYS 9 N 0.00 2.01 -4.17 1.97 5.02 -1.26 -4.97 118.16 116.75 1vnd n LYS 9 Ca 0.00 -0.02 -0.18 0.00 -2.02 0.00 0.00 58.31 56.09 1vnd n LYS 9 Cb 0.00 -1.17 -0.15 0.00 -0.02 0.00 0.00 35.03 33.69 1vnd n LYS 9 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1vnd s ARG 10 N -2.27 0.59 0.37 1.97 6.06 -1.26 -5.17 118.95 119.24 1vnd s ARG 10 Ca -0.03 -0.15 0.08 0.00 -2.50 0.00 0.00 55.73 53.13 1vnd s ARG 10 Cb 0.03 -0.60 -0.03 0.00 0.06 0.00 0.00 34.95 34.41 1vnd s ARG 10 CO 0.28 0.03 0.28 0.15 -2.50 0.00 0.00 175.30 173.54 1vnd s LYS 11 N 0.33 2.55 0.23 5.12 -0.14 -1.26 -4.84 119.74 121.73 1vnd s LYS 11 Ca -0.04 -1.47 0.02 0.00 -1.36 0.00 0.00 55.97 53.12 1vnd s LYS 11 Cb -0.08 -2.34 0.24 0.00 -1.68 0.00 0.00 37.83 33.97 1vnd s LYS 11 CO -0.00 -0.02 1.56 0.07 -0.76 0.00 0.00 175.35 176.21 1vnd h ARG 12 N 1.25 0.33 -6.15 1.68 0.11 -1.92 -3.44 114.38 106.23 1vnd h ARG 12 Ca -0.43 -0.21 -0.58 0.00 0.10 0.00 0.00 59.98 58.85 1vnd h ARG 12 Cb 1.26 0.02 -0.04 0.00 1.11 0.00 0.00 29.97 32.33 1vnd h ARG 12 CO 0.60 0.80 -0.31 -0.98 0.10 0.00 0.00 179.97 180.18 1vnd s ARG 13 N -3.89 3.62 0.00 0.08 1.04 -1.26 -5.10 118.95 113.45 1vnd s ARG 13 Ca -0.05 -0.09 0.05 0.00 -1.04 0.00 0.00 55.73 54.61 1vnd s ARG 13 Cb 0.12 -2.86 -0.03 0.00 -2.04 0.00 0.00 34.95 30.14 1vnd s ARG 13 CO 0.81 0.48 -0.15 0.14 -0.04 0.00 0.00 175.30 176.53 1vnd s VAL 14 N -1.64 2.98 -0.03 4.99 -7.23 -1.26 -5.13 120.40 113.08 1vnd s VAL 14 Ca 0.40 -0.97 0.02 0.00 -1.81 0.00 0.00 61.98 59.62 1vnd s VAL 14 Cb -0.12 -2.23 0.01 0.00 0.56 0.00 0.00 36.38 34.60 1vnd s VAL 14 CO 0.24 0.43 -0.08 -1.48 -0.31 0.00 0.00 175.10 173.91 1vnd s LEU 15 N -1.18 1.69 0.05 1.32 -0.00 -1.26 -5.16 118.68 114.14 1vnd s LEU 15 Ca 0.14 -0.18 0.00 0.00 -0.00 0.00 0.00 54.13 54.10 1vnd s LEU 15 Cb -0.11 -0.53 -0.04 0.00 -0.00 0.00 0.00 46.19 45.52 1vnd s LEU 15 CO 0.04 0.04 0.16 -0.36 -0.00 0.00 0.00 176.35 176.23 1vnd s PHE 16 N 0.37 3.42 0.09 3.48 0.40 -1.26 -5.14 117.98 119.35 1vnd s PHE 16 Ca -0.06 0.22 0.01 0.00 -0.60 0.00 0.00 56.93 56.50 1vnd s PHE 16 Cb -0.10 -1.73 0.01 0.00 0.51 0.00 0.00 43.02 41.71 1vnd s PHE 16 CO 0.01 0.58 0.09 2.41 0.70 0.00 0.00 175.22 179.01 1vnd n THR 17 N 0.49 0.00 1.51 0.64 -1.04 -1.26 -4.92 114.28 109.69 1vnd n THR 17 Ca -0.07 -0.34 0.07 0.00 -2.04 0.00 0.00 64.05 61.67 1vnd n THR 17 Cb 0.51 -0.63 0.28 0.00 -1.82 0.00 0.00 70.33 68.67 1vnd n THR 17 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1vnd n LYS 18 N -0.92 1.40 -0.04 -2.82 5.02 -1.26 -2.45 118.16 117.10 1vnd n LYS 18 Ca 0.01 -0.62 -0.20 0.00 -2.02 0.00 0.00 58.31 55.48 1vnd n LYS 18 Cb 0.10 -1.25 -0.13 0.00 -0.02 0.00 0.00 35.03 33.73 1vnd n LYS 18 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1vnd h ALA 19 N 3.59 0.14 -0.00 7.82 0.00 -1.99 -3.37 119.26 125.45 1vnd h ALA 19 Ca 0.00 -0.96 -0.00 0.00 0.00 0.00 0.00 54.91 53.94 1vnd h ALA 19 Cb 0.25 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1vnd h ALA 19 CO 0.00 0.58 -0.01 1.96 0.00 0.00 0.00 179.25 181.78 1vnd h GLN 20 N -0.65 0.01 0.00 0.00 1.08 -1.86 -3.03 115.11 110.67 1vnd h GLN 20 Ca -0.24 -0.01 -0.11 0.00 -1.45 0.00 0.00 58.65 56.85 1vnd h GLN 20 Cb 1.46 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.88 1vnd h GLN 20 CO -0.02 0.67 -0.51 1.79 -0.95 0.00 0.00 178.83 179.82 1vnd h THR 21 N -0.64 1.24 0.15 -0.54 1.35 -1.76 -3.01 112.91 109.69 1vnd h THR 21 Ca -0.00 -1.81 -0.01 0.00 -0.55 0.00 0.00 66.41 64.05 1vnd h THR 21 Cb 0.68 2.01 0.00 0.00 -1.73 0.00 0.00 68.15 69.10 1vnd h THR 21 CO 0.00 0.50 -0.07 0.22 -0.25 0.00 0.00 175.52 175.92 1vnd h TYR 22 N 0.00 -0.18 -0.18 4.73 3.20 -1.73 -3.02 116.97 119.79 1vnd h TYR 22 Ca -0.01 -0.00 -0.18 0.00 3.14 0.00 0.00 58.73 61.68 1vnd h TYR 22 Cb 0.97 0.06 -0.00 0.00 1.54 0.00 0.00 36.73 39.30 1vnd h TYR 22 CO 0.00 0.12 -0.63 0.93 -1.64 0.00 0.00 178.16 176.95 1vnd h GLU 23 N -0.50 0.63 -0.32 1.82 4.39 -1.57 -2.64 114.58 116.40 1vnd h GLU 23 Ca -0.02 -0.44 -0.12 0.00 0.34 0.00 0.00 59.36 59.12 1vnd h GLU 23 Cb 0.39 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 1vnd h GLU 23 CO 0.03 1.06 -0.28 -0.07 -1.16 0.00 0.00 179.01 178.59 1vnd h LEU 24 N 0.47 0.79 -0.57 1.33 3.38 -1.65 -3.01 115.31 116.05 1vnd h LEU 24 Ca -0.01 -0.46 -0.16 0.00 0.09 0.00 0.00 57.88 57.34 1vnd h LEU 24 Cb 1.20 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1vnd h LEU 24 CO 0.12 1.09 -0.66 -0.33 0.09 0.00 0.00 178.44 178.75 1vnd h GLU 25 N 0.51 0.25 0.00 1.13 4.39 -1.63 -3.02 114.58 116.21 1vnd h GLU 25 Ca 0.05 -0.19 -0.16 0.00 0.34 0.00 0.00 59.36 59.41 1vnd h GLU 25 Cb 0.85 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.51 1vnd h GLU 25 CO 0.07 0.82 -0.75 0.07 -1.16 0.00 0.00 179.01 178.06 1vnd h ARG 26 N 0.18 0.00 0.01 2.33 0.11 -1.50 -2.89 114.38 112.61 1vnd h ARG 26 Ca -0.01 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 59.87 1vnd h ARG 26 Cb 1.19 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.26 1vnd h ARG 26 CO 0.10 0.75 -0.89 0.00 0.10 0.00 0.00 179.97 180.03 1vnd h ARG 27 N 0.00 0.19 0.00 0.08 2.47 -1.66 -3.38 114.38 112.07 1vnd h ARG 27 Ca -0.01 -0.21 -0.10 0.00 -1.26 0.00 0.00 59.98 58.40 1vnd h ARG 27 Cb 1.42 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 29.79 1vnd h ARG 27 CO 0.10 0.96 -0.45 0.35 0.56 0.00 0.00 179.97 181.48 1vnd h PHE 28 N 0.10 0.00 0.00 3.04 3.57 -1.38 -0.84 116.94 121.44 1vnd h PHE 28 Ca -0.05 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1vnd h PHE 28 Cb 1.53 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.27 1vnd h PHE 28 CO 0.03 0.45 0.00 0.00 -2.23 0.00 0.00 178.31 176.56 1vnd h ARG 29 N 0.00 0.00 0.00 1.11 2.47 -1.71 -3.33 114.38 112.92 1vnd h ARG 29 Ca -0.00 0.00 -0.33 0.00 -1.26 0.00 0.00 59.98 58.39 1vnd h ARG 29 Cb 0.83 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 29.09 1vnd h ARG 29 CO 0.06 0.00 -2.25 0.94 0.56 0.00 0.00 179.97 179.28 1vnd n GLN 30 N -3.00 0.68 -3.52 0.04 -0.06 -1.06 -5.08 117.38 105.38 1vnd n GLN 30 Ca 0.04 0.02 -0.09 0.00 -2.00 0.00 0.00 57.00 54.97 1vnd n GLN 30 Cb 0.48 -1.56 -0.03 0.00 -4.06 0.00 0.00 30.24 25.07 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 -2.58 0.76 -0.16 3.69 -2.07 -0.34 -5.05 119.66 113.89 1vnd s GLN 31 Ca -0.09 -0.17 0.06 0.00 -1.82 0.00 0.00 55.36 53.34 1vnd s GLN 31 Cb 0.07 0.35 -0.14 0.00 -1.09 0.00 0.00 33.01 32.20 1vnd s GLN 31 CO 0.83 -0.31 -0.07 0.54 -1.32 0.00 0.00 175.29 174.96 1vnd n ARG 32 N 0.02 0.98 -2.91 9.60 5.12 -1.26 -3.99 116.66 124.22 1vnd n ARG 32 Ca -0.09 0.06 -0.43 0.00 -1.93 0.00 0.00 57.85 55.46 1vnd n ARG 32 Cb 0.61 -1.37 -0.04 0.00 -1.16 0.00 0.00 32.46 30.50 1vnd n ARG 32 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 1vnd s TYR 33 N -2.36 2.80 -0.07 -1.55 6.14 -1.26 -5.01 117.35 116.04 1vnd s TYR 33 Ca -0.17 -0.33 -0.03 0.00 0.64 0.00 0.00 57.07 57.18 1vnd s TYR 33 Cb 0.05 -4.06 0.04 0.00 0.42 0.00 0.00 41.96 38.41 1vnd s TYR 33 CO 0.49 -1.41 0.09 -0.48 0.64 0.00 0.00 175.55 174.88 1vnd s LEU 34 N 3.73 0.13 0.62 6.97 -0.00 -1.26 -5.13 118.68 123.73 1vnd s LEU 34 Ca 0.24 0.01 -0.02 0.00 -0.00 0.00 0.00 54.13 54.36 1vnd s LEU 34 Cb -0.16 -0.07 0.05 0.00 -0.00 0.00 0.00 46.19 46.01 1vnd s LEU 34 CO 0.14 -0.27 0.88 -0.94 -0.00 0.00 0.00 176.35 176.16 1vnd s SER 35 N 2.19 5.08 0.40 1.48 1.04 -1.26 -4.58 113.70 118.05 1vnd s SER 35 Ca 0.04 0.19 0.17 0.00 0.48 0.00 0.00 55.95 56.83 1vnd s SER 35 Cb -0.13 -0.97 1.07 0.00 0.10 0.00 0.00 66.02 66.09 1vnd s SER 35 CO -0.05 -1.34 1.81 0.00 0.98 0.00 0.00 173.24 174.64 1vnd h ALA 36 N -0.22 2.19 0.00 5.32 0.00 -2.01 0.59 119.26 125.13 1vnd h ALA 36 Ca -0.43 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 1vnd h ALA 36 Cb 1.31 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1vnd h ALA 36 CO 0.56 -0.54 -0.23 -1.35 0.00 0.00 0.00 179.25 177.68 1vnd h PRO 37 N 0.43 0.00 0.00 0.00 0.11 -1.99 -3.00 132.00 127.55 1vnd h PRO 37 Ca 0.54 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.59 1vnd h PRO 37 Cb 1.33 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.43 1vnd h PRO 37 CO -0.25 0.23 -1.70 -0.85 -0.21 0.00 0.00 178.00 175.23 1vnd n GLU 38 N -3.72 0.85 0.12 1.05 0.28 -0.86 -4.25 120.64 114.12 1vnd n GLU 38 Ca -0.01 -0.09 -0.24 0.00 -0.16 0.00 0.00 57.16 56.66 1vnd n GLU 38 Cb 0.34 -1.32 -0.16 0.00 1.43 0.00 0.00 31.44 31.73 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 0.47 0.00 3.44 2.43 -1.00 -3.02 114.38 116.70 1vnd h ARG 39 Ca -0.10 -0.81 -0.06 0.00 -0.81 0.00 0.00 59.98 58.20 1vnd h ARG 39 Cb 0.96 0.30 -0.01 0.00 -0.42 0.00 0.00 29.97 30.80 1vnd h ARG 39 CO 0.01 1.39 -0.39 0.93 -1.51 0.00 0.00 179.97 180.39 1vnd h GLU 40 N -0.00 0.00 0.00 0.20 4.39 -1.76 -2.89 114.58 114.51 1vnd h GLU 40 Ca -0.23 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.33 1vnd h GLU 40 Cb 2.02 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.65 1vnd h GLU 40 CO 0.24 0.27 -0.83 1.25 -1.16 0.00 0.00 179.01 178.79 1vnd h HIS 41 N 0.00 0.00 0.00 4.33 2.76 -1.74 -2.69 115.15 117.81 1vnd h HIS 41 Ca -0.01 0.00 -0.15 0.00 -2.20 0.00 0.00 60.37 58.01 1vnd h HIS 41 Cb 1.23 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.17 1vnd h HIS 41 CO 0.00 0.59 -0.69 1.25 -1.30 0.00 0.00 177.93 177.77 1vnd h LEU 42 N 0.00 0.00 0.00 0.26 7.12 -1.53 -2.32 115.31 118.84 1vnd h LEU 42 Ca -0.05 0.00 -0.19 0.00 0.13 0.00 0.00 57.88 57.77 1vnd h LEU 42 Cb 1.49 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 41.60 1vnd h LEU 42 CO 0.07 0.69 -0.89 0.00 -0.13 0.00 0.00 178.44 178.18 1vnd h ALA 43 N 1.31 0.43 0.00 1.25 0.00 -1.51 -2.72 119.26 118.02 1vnd h ALA 43 Ca -0.01 -0.81 -0.17 0.00 0.00 0.00 0.00 54.91 53.92 1vnd h ALA 43 Cb 1.38 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 1vnd h ALA 43 CO 0.09 1.11 -1.09 0.77 0.00 0.00 0.00 179.25 180.13 1vnd h SER 44 N 0.00 0.00 0.08 0.00 0.02 -1.55 -0.67 113.55 111.43 1vnd h SER 44 Ca -0.01 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.68 1vnd h SER 44 Cb 1.68 0.00 0.02 0.00 0.14 0.00 0.00 62.40 64.24 1vnd h SER 44 CO 0.11 0.68 -1.01 0.25 -1.14 0.00 0.00 176.83 175.73 1vnd h LEU 45 N 0.00 0.82 0.00 5.07 7.12 -1.49 -3.37 115.31 123.46 1vnd h LEU 45 Ca -0.10 -0.65 -0.05 0.00 0.13 0.00 0.00 57.88 57.21 1vnd h LEU 45 Cb 1.61 -0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 41.48 1vnd h LEU 45 CO 0.07 1.45 -2.00 2.30 -0.13 0.00 0.00 178.44 180.13 1vnd n ILE 46 N -3.83 0.18 -1.18 4.05 -5.35 -1.03 -5.05 119.36 107.15 1vnd n ILE 46 Ca -0.10 -0.52 0.00 0.00 -0.27 0.00 0.00 62.75 61.86 1vnd n ILE 46 Cb 0.86 -0.05 0.00 0.00 -1.74 0.00 0.00 39.64 38.72 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 -2.29 0.00 -2.52 6.28 3.00 -0.92 -4.94 116.66 115.27 1vnd n ARG 47 Ca -0.08 0.25 -0.05 0.00 -0.00 0.00 0.00 57.85 57.97 1vnd n ARG 47 Cb 0.62 -1.18 -0.02 0.00 0.00 0.00 0.00 32.46 31.88 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 -0.94 0.00 -4.89 6.15 4.77 -0.31 -5.04 117.00 116.75 1vnd n LEU 48 Ca 0.00 -0.73 -0.33 0.00 -0.03 0.00 0.00 56.01 54.92 1vnd n LEU 48 Cb 0.39 0.38 -0.05 0.00 -2.33 0.00 0.00 43.42 41.82 1vnd n LEU 48 CO 0.00 -0.12 0.02 0.42 -1.33 0.00 0.00 177.39 176.38 1vnd s THR 49 N -2.30 5.18 0.62 -5.08 -4.23 -1.26 -4.60 115.64 103.97 1vnd s THR 49 Ca 0.09 0.13 0.33 0.00 -1.18 0.00 0.00 61.69 61.06 1vnd s THR 49 Cb 0.00 -3.62 0.37 0.00 1.34 0.00 0.00 72.50 70.60 1vnd s THR 49 CO 0.06 0.14 2.18 -0.65 -0.54 0.00 0.00 174.62 175.82 1vnd h PRO 50 N 3.19 0.00 0.00 3.99 0.11 -1.94 -3.05 132.00 134.30 1vnd h PRO 50 Ca -0.47 0.00 -0.25 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 32.24 1vnd h PRO 50 CO 0.70 0.00 -1.50 0.00 -0.21 0.00 0.00 178.00 177.00 1vnd h THR 51 N 0.00 0.93 0.07 -1.15 1.03 -1.99 -2.98 112.91 108.83 1vnd h THR 51 Ca 0.03 -2.69 -0.28 0.00 -0.01 0.00 0.00 66.41 63.47 1vnd h THR 51 Cb 0.28 2.42 -0.02 0.00 -1.07 0.00 0.00 68.15 69.77 1vnd h THR 51 CO -0.00 0.53 -1.41 0.06 -0.01 0.00 0.00 175.52 174.69 1vnd h GLN 52 N 0.00 0.15 -0.46 0.00 3.07 -1.97 -2.99 115.11 112.90 1vnd h GLN 52 Ca -0.21 -0.25 -0.10 0.00 0.09 0.00 0.00 58.65 58.18 1vnd h GLN 52 Cb 1.88 0.09 -0.01 0.00 0.08 0.00 0.00 27.48 29.52 1vnd h GLN 52 CO 0.08 0.99 -0.09 -0.24 0.09 0.00 0.00 178.83 179.66 1vnd h VAL 53 N 0.04 1.27 -0.20 1.86 3.04 -1.69 -2.48 116.25 118.09 1vnd h VAL 53 Ca -0.18 -1.21 0.03 0.00 -1.01 0.00 0.00 66.70 64.32 1vnd h VAL 53 Cb 1.95 1.10 -0.03 0.00 -2.01 0.00 0.00 31.29 32.31 1vnd h VAL 53 CO 0.14 0.42 0.04 0.50 -1.01 0.00 0.00 177.57 177.66 1vnd h LYS 54 N 0.72 0.12 -0.00 4.17 1.63 -1.63 -2.94 116.57 118.63 1vnd h LYS 54 Ca 0.12 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.91 1vnd h LYS 54 Cb 0.63 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.24 1vnd h LYS 54 CO 0.04 0.08 -0.14 -0.89 -3.45 0.00 0.00 179.45 175.08 1vnd n ILE 55 N -5.09 0.00 -0.02 2.00 5.41 -1.13 -2.34 119.36 118.19 1vnd n ILE 55 Ca -0.02 -0.05 -0.16 0.00 1.00 0.00 0.00 62.75 63.51 1vnd n ILE 55 Cb 0.09 -0.09 -0.08 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 0.45 0.78 0.00 1.39 7.01 -1.33 -3.20 115.95 121.05 1vnd h TRP 56 Ca 0.00 -0.35 0.00 0.00 2.11 0.00 0.00 58.89 60.65 1vnd h TRP 56 Cb 0.40 -0.12 0.00 0.00 -2.10 0.00 0.00 29.16 27.34 1vnd h TRP 56 CO 0.00 1.14 -0.23 1.19 -2.79 0.00 0.00 178.44 177.75 1vnd n PHE 57 N -4.17 0.74 0.11 2.65 3.72 -1.12 -2.93 117.46 116.46 1vnd n PHE 57 Ca -0.08 0.21 -0.22 0.00 -0.05 0.00 0.00 57.45 57.32 1vnd n PHE 57 Cb 0.64 -0.80 -0.14 0.00 -0.94 0.00 0.00 39.48 38.23 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 0.53 0.00 -1.08 4.15 -1.58 -3.37 115.11 113.76 1vnd h GLN 58 Ca 0.00 -0.79 -0.14 0.00 0.77 0.00 0.00 58.65 58.49 1vnd h GLN 58 Cb 0.72 0.28 -0.02 0.00 0.21 0.00 0.00 27.48 28.67 1vnd h GLN 58 CO 0.00 1.37 -1.33 -0.91 -1.93 0.00 0.00 178.83 176.03 1vnd h ASN 59 N 0.19 0.00 1.69 -0.69 2.35 -1.63 -3.37 115.58 114.13 1vnd h ASN 59 Ca -0.20 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.53 1vnd h ASN 59 Cb 2.01 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 40.37 1vnd h ASN 59 CO 0.24 0.48 -0.07 0.45 -1.65 0.00 0.00 177.43 176.89 1vnd h HIS 60 N 0.00 0.00 -0.52 1.19 3.86 -1.71 -3.40 115.15 114.57 1vnd h HIS 60 Ca -0.13 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 58.74 1vnd h HIS 60 Cb 1.49 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 29.84 1vnd h HIS 60 CO 0.00 0.07 0.03 2.89 0.86 0.00 0.00 177.93 181.78 1vnd n ARG 61 N -3.13 2.14 -2.70 2.45 1.85 -1.26 -4.51 116.66 111.50 1vnd n ARG 61 Ca 0.03 -1.62 -0.24 0.00 -1.00 0.00 0.00 57.85 55.02 1vnd n ARG 61 Cb 0.51 -2.01 -0.01 0.00 -1.05 0.00 0.00 32.46 29.90 1vnd n ARG 61 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1vnd n TYR 62 N 1.59 3.04 -3.77 2.89 4.02 -1.26 -4.97 117.16 118.70 1vnd n TYR 62 Ca 0.43 -3.40 -0.29 0.00 -0.01 0.00 0.00 57.90 54.63 1vnd n TYR 62 Cb 0.71 -0.27 0.01 0.00 -0.02 0.00 0.00 39.34 39.77 1vnd n TYR 62 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 176.86 176.21 1vnd n LYS 63 N -0.29 -4.37 0.04 -0.72 2.85 -1.26 -4.84 118.16 109.57 1vnd n LYS 63 Ca 0.31 0.53 0.13 0.00 -1.05 0.00 0.00 58.31 58.24 1vnd n LYS 63 Cb 0.60 -5.34 0.48 0.00 -0.65 0.00 0.00 35.03 30.12 1vnd n LYS 63 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1vnd n THR 64 N -4.39 0.20 -0.07 0.58 -1.04 -1.26 -3.89 114.28 104.41 1vnd n THR 64 Ca 0.03 -0.10 -0.06 0.00 -2.04 0.00 0.00 64.05 61.88 1vnd n THR 64 Cb 0.53 -0.40 0.14 0.00 -1.82 0.00 0.00 70.33 68.77 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 -1.77 2.19 -3.88 -2.82 4.76 -1.26 -4.82 118.16 110.57 1vnd n LYS 65 Ca 0.06 -1.56 -0.11 0.00 -2.87 0.00 0.00 58.31 53.83 1vnd n LYS 65 Cb 0.37 -1.72 -0.12 0.00 -1.84 0.00 0.00 35.03 31.72 1vnd n LYS 65 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1vnd s ARG 66 N -1.77 0.22 -0.24 1.97 3.52 -1.25 -5.07 118.95 116.34 1vnd s ARG 66 Ca 0.29 -0.14 0.08 0.00 -0.13 0.00 0.00 55.73 55.82 1vnd s ARG 66 Cb 0.23 0.09 -0.20 0.00 -1.56 0.00 0.00 34.95 33.51 1vnd s ARG 66 CO 0.07 -0.04 -0.12 0.00 -0.81 0.00 0.00 175.30 174.40 1vnd n ALA 67 N 2.41 1.46 -2.74 6.12 0.00 -1.26 -4.69 120.51 121.81 1vnd n ALA 67 Ca -0.17 -1.19 -0.43 0.00 0.00 0.00 0.00 53.44 51.65 1vnd n ALA 67 Cb 0.58 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.90 1vnd n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vnd n GLN 68 N -3.08 3.67 -3.04 0.00 10.64 -1.26 -4.67 117.38 119.63 1vnd n GLN 68 Ca -0.41 -3.89 -0.18 0.00 -1.83 0.00 0.00 57.00 50.68 1vnd n GLN 68 Cb 1.05 -2.86 -0.03 0.00 -0.86 0.00 0.00 30.24 27.55 1vnd n GLN 68 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 1vnd n ASN 69 N 3.89 -0.79 0.00 2.61 5.15 -1.26 -5.08 115.26 119.78 1vnd n ASN 69 Ca 0.35 -2.92 0.00 0.00 -0.60 0.00 0.00 54.58 51.41 1vnd n ASN 69 Cb 0.38 0.18 0.00 0.00 -0.53 0.00 0.00 39.78 39.81 1vnd n ASN 69 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 1vnd n GLU 70 N 1.39 0.00 -4.03 1.20 -0.00 -1.26 -4.26 120.64 113.68 1vnd n GLU 70 Ca 0.17 0.46 -0.35 0.00 -0.00 0.00 0.00 57.16 57.44 1vnd n GLU 70 Cb 0.57 -1.19 -0.10 0.00 -0.00 0.00 0.00 31.44 30.71 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 -1.77 3.89 0.00 3.44 1.02 -1.26 -4.62 119.74 120.44 1vnd s LYS 71 Ca 0.00 -0.39 0.00 0.00 0.02 0.00 0.00 55.97 55.60 1vnd s LYS 71 Cb 0.00 -3.19 0.00 0.00 -0.52 0.00 0.00 37.83 34.12 1vnd s LYS 71 CO 0.00 0.21 0.00 0.41 -0.92 0.00 0.00 175.35 175.05 1vnd n GLY 72 N 3.72 2.09 0.26 -3.33 0.00 -1.26 -4.98 105.19 101.69 1vnd n GLY 72 Ca -0.17 -0.26 0.12 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.64 1.61 3.20 -1.82 -3.24 116.97 116.08 1vnd h TYR 73 Ca 0.00 0.00 -0.45 0.00 3.14 0.00 0.00 58.73 61.42 1vnd h TYR 73 Cb 0.00 0.00 -0.32 0.00 1.54 0.00 0.00 36.73 37.95 1vnd h TYR 73 CO 0.00 0.13 -0.45 0.39 -1.64 0.00 0.00 178.16 176.59 1vnd n GLU 74 N -3.58 3.00 0.00 1.82 4.71 -1.26 -4.97 120.64 120.37 1vnd n GLU 74 Ca -0.01 -3.81 0.00 0.00 -0.01 0.00 0.00 57.16 53.32 1vnd n GLU 74 Cb 0.27 -2.14 0.00 0.00 -1.01 0.00 0.00 31.44 28.56 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 -0.85 1.08 2.87 0.62 0.00 -1.22 -4.47 105.19 103.23 1vnd n GLY 75 Ca 0.42 -0.63 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.74 -2.00 1.61 2.46 -1.26 -4.61 115.29 110.75 1vnd s HIS 76 Ca 0.00 -0.25 0.16 0.00 0.47 0.00 0.00 55.06 55.44 1vnd s HIS 76 Cb 0.00 -0.23 0.96 0.00 -0.13 0.00 0.00 32.58 33.18 1vnd s HIS 76 CO 0.00 -1.00 1.37 -2.30 -2.47 0.00 0.00 174.74 170.34