#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 2.11 -3.29 0.00 3.41 -1.26 -4.68 113.62 109.91 1vnd n SER 2 Ca 0.00 -0.02 -0.25 0.00 -0.26 0.00 0.00 58.87 58.34 1vnd n SER 2 Cb 0.00 0.60 -0.07 0.00 -0.26 0.00 0.00 64.21 64.48 1vnd n SER 2 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1vnd n ASP 3 N -2.56 1.73 0.00 4.04 8.00 -1.26 -3.21 116.55 123.30 1vnd n ASP 3 Ca -0.22 -3.02 0.00 0.00 0.71 0.00 0.00 54.79 52.27 1vnd n ASP 3 Cb 0.88 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 41.33 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 1.17 3.54 3.58 0.44 0.00 -1.26 -5.15 105.19 107.52 1vnd n GLY 4 Ca 0.25 -1.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.58 -1.25 0.99 2.34 -1.26 -2.74 118.68 116.18 1vnd s LEU 5 Ca 0.00 0.87 -0.07 0.00 0.06 0.00 0.00 54.13 54.99 1vnd s LEU 5 Cb 0.00 2.25 0.19 0.00 -0.56 0.00 0.00 46.19 48.06 1vnd s LEU 5 CO 0.00 -0.37 1.95 -0.81 -1.06 0.00 0.00 176.35 176.06 1vnd n PRO 6 N 1.60 4.11 -4.15 1.48 -0.04 -1.26 -4.90 135.00 131.83 1vnd n PRO 6 Ca -0.15 -3.73 -0.17 0.00 -0.04 0.00 0.00 63.50 59.42 1vnd n PRO 6 Cb 0.56 -2.76 -0.05 0.00 -0.04 0.00 0.00 33.50 31.21 1vnd n PRO 6 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1vnd s ASN 7 N 0.19 1.25 -0.29 3.54 0.01 -1.26 -5.14 114.94 113.23 1vnd s ASN 7 Ca 0.42 -1.61 -0.03 0.00 -0.71 0.00 0.00 52.86 50.93 1vnd s ASN 7 Cb 0.12 0.64 0.10 0.00 0.41 0.00 0.00 41.25 42.52 1vnd s ASN 7 CO -0.01 -1.25 0.12 -0.75 -1.51 0.00 0.00 177.10 173.70 1vnd s LYS 8 N -3.09 0.35 0.00 -0.60 2.47 -1.26 -4.96 119.74 112.64 1vnd s LYS 8 Ca 0.34 -0.69 0.00 0.00 -1.56 0.00 0.00 55.97 54.06 1vnd s LYS 8 Cb 0.00 -1.41 0.00 0.00 -1.46 0.00 0.00 37.83 34.96 1vnd s LYS 8 CO 0.24 -1.01 0.00 1.17 0.16 0.00 0.00 175.35 175.91 1vnd n LYS 9 N 5.13 0.00 -3.66 4.03 4.81 -1.26 -5.13 118.16 122.08 1vnd n LYS 9 Ca -0.05 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.28 1vnd n LYS 9 Cb 0.42 0.00 -0.12 0.00 0.02 0.00 0.00 35.03 35.36 1vnd n LYS 9 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1vnd s ARG 10 N 0.00 0.22 0.00 1.64 1.81 -1.26 -4.95 118.95 116.41 1vnd s ARG 10 Ca 0.00 0.87 0.00 0.00 -1.72 0.00 0.00 55.73 54.88 1vnd s ARG 10 Cb 0.00 0.13 0.00 0.00 -0.45 0.00 0.00 34.95 34.63 1vnd s ARG 10 CO 0.00 -0.27 0.00 0.36 -0.68 0.00 0.00 175.30 174.71 1vnd n LYS 11 N 5.37 0.00 -3.24 3.54 -0.00 -1.26 -3.71 118.16 118.85 1vnd n LYS 11 Ca -0.07 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 57.85 1vnd n LYS 11 Cb 0.50 -1.87 -0.07 0.00 -0.00 0.00 0.00 35.03 33.59 1vnd n LYS 11 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1vnd s ARG 12 N -3.32 4.20 0.72 -1.58 1.81 -1.26 -5.07 118.95 114.46 1vnd s ARG 12 Ca 0.00 0.43 -0.07 0.00 -1.72 0.00 0.00 55.73 54.37 1vnd s ARG 12 Cb 0.00 -3.55 0.06 0.00 -0.45 0.00 0.00 34.95 31.01 1vnd s ARG 12 CO 0.00 -0.13 1.04 -0.98 -0.68 0.00 0.00 175.30 174.55 1vnd s ARG 13 N 1.58 2.17 -0.03 3.54 3.03 -1.25 -4.54 118.95 123.45 1vnd s ARG 13 Ca 0.25 -0.20 0.03 0.00 2.03 0.00 0.00 55.73 57.84 1vnd s ARG 13 Cb -0.15 -2.14 0.00 0.00 -1.03 0.00 0.00 34.95 31.63 1vnd s ARG 13 CO 0.10 -1.29 -0.11 0.14 -1.13 0.00 0.00 175.30 173.01 1vnd s VAL 14 N -3.30 0.92 -0.21 4.99 -7.23 -1.26 -5.01 120.40 109.31 1vnd s VAL 14 Ca 0.60 -0.43 -0.04 0.00 -1.81 0.00 0.00 61.98 60.30 1vnd s VAL 14 Cb -0.11 -0.81 0.07 0.00 0.56 0.00 0.00 36.38 36.09 1vnd s VAL 14 CO 0.45 0.28 0.08 -0.76 -0.31 0.00 0.00 175.10 174.85 1vnd s LEU 15 N 0.16 0.69 0.15 1.32 1.43 -1.20 -4.89 118.68 116.34 1vnd s LEU 15 Ca -0.03 -0.85 0.04 0.00 -1.03 0.00 0.00 54.13 52.27 1vnd s LEU 15 Cb -0.09 -0.38 -0.04 0.00 0.03 0.00 0.00 46.19 45.71 1vnd s LEU 15 CO 0.01 -0.36 0.14 -0.36 0.23 0.00 0.00 176.35 176.00 1vnd s PHE 16 N 2.04 3.18 0.25 0.29 0.08 -1.26 -4.55 117.98 118.00 1vnd s PHE 16 Ca 0.03 0.01 0.01 0.00 0.12 0.00 0.00 56.93 57.10 1vnd s PHE 16 Cb -0.16 -1.54 0.05 0.00 -0.57 0.00 0.00 43.02 40.79 1vnd s PHE 16 CO -0.15 0.52 0.34 2.41 -0.10 0.00 0.00 175.22 178.24 1vnd n THR 17 N -0.22 0.00 0.77 0.64 -1.04 -1.26 -4.74 114.28 108.43 1vnd n THR 17 Ca -0.08 -0.64 0.11 0.00 -2.04 0.00 0.00 64.05 61.40 1vnd n THR 17 Cb 0.54 -1.05 0.49 0.00 -1.82 0.00 0.00 70.33 68.49 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 -1.60 0.02 0.09 -2.82 2.85 -1.26 -1.49 118.16 113.94 1vnd n LYS 18 Ca 0.06 0.12 -0.23 0.00 -1.05 0.00 0.00 58.31 57.21 1vnd n LYS 18 Cb 0.22 -1.53 -0.15 0.00 -0.65 0.00 0.00 35.03 32.92 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 2.77 0.03 -0.00 0.58 0.00 -1.99 -3.31 119.26 117.33 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 0.41 0.34 0.01 0.00 0.00 0.00 0.00 17.79 18.55 1vnd h ALA 19 CO 0.00 0.82 -0.59 1.96 0.00 0.00 0.00 179.25 181.44 1vnd h GLN 20 N 0.01 0.41 0.00 0.00 1.08 -1.82 -3.05 115.11 111.73 1vnd h GLN 20 Ca -0.29 -0.43 -0.09 0.00 -1.45 0.00 0.00 58.65 56.39 1vnd h GLN 20 Cb 2.03 0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 29.56 1vnd h GLN 20 CO 0.19 1.10 -0.43 1.79 -0.95 0.00 0.00 178.83 180.53 1vnd h THR 21 N -0.11 0.97 0.17 -0.54 1.35 -1.49 -3.01 112.91 110.24 1vnd h THR 21 Ca -0.07 -1.69 -0.01 0.00 -0.55 0.00 0.00 66.41 64.09 1vnd h THR 21 Cb 1.30 2.02 0.00 0.00 -1.73 0.00 0.00 68.15 69.74 1vnd h THR 21 CO 0.12 0.42 -0.08 0.22 -0.25 0.00 0.00 175.52 175.94 1vnd h TYR 22 N 0.00 -0.21 -0.13 4.73 3.20 -1.65 -3.02 116.97 119.89 1vnd h TYR 22 Ca -0.00 -0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.70 1vnd h TYR 22 Cb 0.98 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.32 1vnd h TYR 22 CO 0.00 0.15 -0.61 0.93 -1.64 0.00 0.00 178.16 176.99 1vnd h GLU 23 N -0.61 0.45 -0.21 1.82 4.39 -1.59 -2.81 114.58 116.02 1vnd h GLU 23 Ca -0.02 -0.31 -0.18 0.00 0.34 0.00 0.00 59.36 59.19 1vnd h GLU 23 Cb 0.45 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1vnd h GLU 23 CO 0.04 0.92 -0.58 -0.07 -1.16 0.00 0.00 179.01 178.15 1vnd h LEU 24 N 0.33 0.88 -0.80 1.33 3.38 -1.66 -2.94 115.31 115.83 1vnd h LEU 24 Ca -0.01 -0.58 -0.13 0.00 0.09 0.00 0.00 57.88 57.26 1vnd h LEU 24 Cb 1.15 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 1vnd h LEU 24 CO 0.11 1.30 -0.57 -0.33 0.09 0.00 0.00 178.44 179.04 1vnd h GLU 25 N 0.51 0.09 0.00 1.13 4.39 -1.63 -2.71 114.58 116.35 1vnd h GLU 25 Ca -0.01 -0.06 -0.14 0.00 0.34 0.00 0.00 59.36 59.50 1vnd h GLU 25 Cb 1.20 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.84 1vnd h GLU 25 CO 0.13 0.63 -0.65 0.07 -1.16 0.00 0.00 179.01 178.03 1vnd h ARG 26 N 0.07 0.00 0.00 2.33 0.11 -1.54 -2.75 114.38 112.60 1vnd h ARG 26 Ca -0.00 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 59.93 1vnd h ARG 26 Cb 1.03 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.08 1vnd h ARG 26 CO 0.08 0.65 -0.67 0.00 0.10 0.00 0.00 179.97 180.12 1vnd h ARG 27 N 0.00 0.00 0.00 0.08 2.47 -1.62 -3.32 114.38 111.99 1vnd h ARG 27 Ca -0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1vnd h ARG 27 Cb 1.43 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.75 1vnd h ARG 27 CO 0.08 0.67 0.00 0.35 0.56 0.00 0.00 179.97 181.64 1vnd h PHE 28 N 0.00 0.00 0.08 3.04 3.57 -1.27 -0.76 116.94 121.59 1vnd h PHE 28 Ca -0.01 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.30 1vnd h PHE 28 Cb 1.47 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.21 1vnd h PHE 28 CO 0.00 0.00 -0.94 0.00 -2.23 0.00 0.00 178.31 175.14 1vnd h ARG 29 N 0.00 0.17 0.00 1.11 2.47 -1.62 -3.41 114.38 113.10 1vnd h ARG 29 Ca 0.00 -0.29 -0.12 0.00 -1.26 0.00 0.00 59.98 58.31 1vnd h ARG 29 Cb 0.62 0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 29.02 1vnd h ARG 29 CO 0.00 1.14 -1.36 0.94 0.56 0.00 0.00 179.97 181.25 1vnd n GLN 30 N -4.19 0.62 -4.49 0.04 -0.06 -1.24 -4.97 117.38 103.09 1vnd n GLN 30 Ca -0.20 0.17 -0.23 0.00 -2.00 0.00 0.00 57.00 54.73 1vnd n GLN 30 Cb 0.76 -1.79 -0.10 0.00 -4.06 0.00 0.00 30.24 25.05 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 -3.06 1.74 -0.17 3.69 -1.52 -0.29 -5.06 119.66 114.99 1vnd s GLN 31 Ca -0.03 -1.98 -0.00 0.00 -1.95 0.00 0.00 55.36 51.40 1vnd s GLN 31 Cb 0.09 -1.01 -0.10 0.00 -0.22 0.00 0.00 33.01 31.76 1vnd s GLN 31 CO 0.81 -0.19 -0.16 0.54 -0.25 0.00 0.00 175.29 176.05 1vnd n ARG 32 N -0.77 0.41 -3.89 2.91 1.74 -1.26 -4.41 116.66 111.39 1vnd n ARG 32 Ca -0.03 0.11 -0.10 0.00 -0.77 0.00 0.00 57.85 57.05 1vnd n ARG 32 Cb 0.67 -1.31 -0.09 0.00 -1.02 0.00 0.00 32.46 30.71 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 -2.33 0.11 -0.17 -1.55 -0.85 -1.26 -5.02 117.35 106.27 1vnd s TYR 33 Ca -0.23 -0.30 -0.06 0.00 -0.52 0.00 0.00 57.07 55.96 1vnd s TYR 33 Cb 0.06 -0.08 0.08 0.00 0.38 0.00 0.00 41.96 42.40 1vnd s TYR 33 CO 0.38 -0.33 0.37 -0.48 -1.52 0.00 0.00 175.55 173.96 1vnd s LEU 34 N -1.75 -0.48 0.59 -3.49 -0.00 -1.26 -5.15 118.68 107.15 1vnd s LEU 34 Ca -0.10 0.85 -0.08 0.00 -0.00 0.00 0.00 54.13 54.81 1vnd s LEU 34 Cb -0.04 1.14 -0.01 0.00 -0.00 0.00 0.00 46.19 47.27 1vnd s LEU 34 CO -0.01 -0.23 0.93 -0.94 -0.00 0.00 0.00 176.35 176.10 1vnd s SER 35 N 2.44 5.81 0.37 1.48 1.04 -1.26 -4.66 113.70 118.92 1vnd s SER 35 Ca -0.02 0.95 0.14 0.00 0.48 0.00 0.00 55.95 57.50 1vnd s SER 35 Cb -0.12 -1.99 0.96 0.00 0.10 0.00 0.00 66.02 64.98 1vnd s SER 35 CO -0.11 -0.98 1.81 0.00 0.98 0.00 0.00 173.24 174.94 1vnd h ALA 36 N -0.20 2.02 0.00 5.32 0.00 -2.02 -0.34 119.26 124.04 1vnd h ALA 36 Ca -0.45 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.43 1vnd h ALA 36 Cb 1.23 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1vnd h ALA 36 CO 0.62 -0.36 -0.35 -1.35 0.00 0.00 0.00 179.25 177.82 1vnd h PRO 37 N 0.54 0.00 0.00 0.00 0.11 -2.00 -3.01 132.00 127.64 1vnd h PRO 37 Ca 0.53 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.64 1vnd h PRO 37 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1vnd h PRO 37 CO -0.27 0.35 -1.49 -0.85 -0.21 0.00 0.00 178.00 175.53 1vnd n GLU 38 N -4.01 0.82 0.09 1.05 -0.00 -1.03 -4.19 120.64 113.36 1vnd n GLU 38 Ca -0.02 -0.11 -0.20 0.00 -0.00 0.00 0.00 57.16 56.83 1vnd n GLU 38 Cb 0.40 -1.37 -0.15 0.00 -0.00 0.00 0.00 31.44 30.32 1vnd n GLU 38 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 1vnd h ARG 39 N 0.00 0.35 0.00 3.44 2.43 -1.13 -3.02 114.38 116.46 1vnd h ARG 39 Ca 0.00 -0.59 -0.02 0.00 -0.81 0.00 0.00 59.98 58.56 1vnd h ARG 39 Cb 0.66 0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 30.43 1vnd h ARG 39 CO 0.00 1.25 -0.08 0.93 -1.51 0.00 0.00 179.97 180.56 1vnd h GLU 40 N 0.09 0.00 0.00 0.20 4.39 -1.78 -2.81 114.58 114.68 1vnd h GLU 40 Ca -0.25 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.25 1vnd h GLU 40 Cb 2.06 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.68 1vnd h GLU 40 CO 0.20 0.08 -0.98 1.25 -1.16 0.00 0.00 179.01 178.40 1vnd h HIS 41 N 0.00 0.00 -0.00 4.33 2.76 -1.73 -2.67 115.15 117.84 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 0.96 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.90 1vnd h HIS 41 CO 0.00 0.89 -0.77 1.25 -1.30 0.00 0.00 177.93 177.99 1vnd h LEU 42 N 0.00 0.05 0.00 0.26 7.12 -1.46 -2.23 115.31 119.05 1vnd h LEU 42 Ca -0.04 -0.04 -0.16 0.00 0.13 0.00 0.00 57.88 57.77 1vnd h LEU 42 Cb 1.71 -0.02 -0.02 0.00 -0.53 0.00 0.00 40.66 41.80 1vnd h LEU 42 CO 0.11 0.81 -0.85 0.00 -0.13 0.00 0.00 178.44 178.38 1vnd h ALA 43 N 1.19 0.56 0.00 1.25 0.00 -1.54 -2.67 119.26 118.05 1vnd h ALA 43 Ca -0.01 -0.72 -0.15 0.00 0.00 0.00 0.00 54.91 54.02 1vnd h ALA 43 Cb 1.36 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1vnd h ALA 43 CO 0.10 0.94 -1.03 0.77 0.00 0.00 0.00 179.25 180.04 1vnd h SER 44 N 0.00 0.00 0.15 0.00 0.02 -1.54 -0.80 113.55 111.38 1vnd h SER 44 Ca -0.04 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.68 1vnd h SER 44 Cb 1.58 0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.13 1vnd h SER 44 CO 0.09 0.61 -0.93 0.25 -1.14 0.00 0.00 176.83 175.71 1vnd h LEU 45 N 0.00 0.71 0.00 5.07 5.85 -1.46 -3.37 115.31 122.11 1vnd h LEU 45 Ca -0.09 -0.55 -0.04 0.00 0.84 0.00 0.00 57.88 58.04 1vnd h LEU 45 Cb 1.55 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.35 1vnd h LEU 45 CO 0.06 1.34 -1.85 2.30 -0.34 0.00 0.00 178.44 179.95 1vnd n ILE 46 N -3.82 0.17 -1.22 4.05 -5.35 -1.01 -5.06 119.36 107.12 1vnd n ILE 46 Ca -0.08 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 61.95 1vnd n ILE 46 Cb 0.83 -0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.73 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 -2.19 0.00 -2.58 6.28 3.00 -0.84 -4.97 116.66 115.37 1vnd n ARG 47 Ca -0.07 0.36 -0.05 0.00 -0.00 0.00 0.00 57.85 58.09 1vnd n ARG 47 Cb 0.55 -1.22 -0.02 0.00 0.00 0.00 0.00 32.46 31.76 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 -0.87 0.00 -4.89 6.15 4.77 -0.37 -5.04 117.00 116.75 1vnd n LEU 48 Ca 0.00 -0.82 -0.32 0.00 -0.03 0.00 0.00 56.01 54.84 1vnd n LEU 48 Cb 0.41 0.43 -0.05 0.00 -2.33 0.00 0.00 43.42 41.88 1vnd n LEU 48 CO 0.00 -0.14 0.07 0.42 -1.33 0.00 0.00 177.39 176.41 1vnd s THR 49 N -2.34 5.12 0.60 -5.08 -4.23 -1.26 -4.65 115.64 103.80 1vnd s THR 49 Ca 0.10 0.15 0.31 0.00 -1.18 0.00 0.00 61.69 61.07 1vnd s THR 49 Cb 0.01 -3.62 0.36 0.00 1.34 0.00 0.00 72.50 70.59 1vnd s THR 49 CO 0.07 0.04 2.18 -0.65 -0.54 0.00 0.00 174.62 175.73 1vnd h PRO 50 N 2.86 0.00 0.00 3.99 0.11 -1.95 -3.05 132.00 133.96 1vnd h PRO 50 Ca -0.46 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.41 1vnd h PRO 50 Cb 1.17 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 1vnd h PRO 50 CO 0.71 0.00 -1.52 0.00 -0.21 0.00 0.00 178.00 176.99 1vnd h THR 51 N 0.00 0.79 0.04 -1.15 1.03 -1.99 -3.01 112.91 108.62 1vnd h THR 51 Ca 0.04 -2.50 -0.25 0.00 -0.01 0.00 0.00 66.41 63.69 1vnd h THR 51 Cb 0.26 2.32 -0.03 0.00 -1.07 0.00 0.00 68.15 69.64 1vnd h THR 51 CO -0.00 0.45 -1.25 0.06 -0.01 0.00 0.00 175.52 174.77 1vnd h GLN 52 N 0.00 0.08 -0.29 0.00 3.07 -1.97 -3.00 115.11 113.00 1vnd h GLN 52 Ca -0.21 -0.13 -0.10 0.00 0.09 0.00 0.00 58.65 58.29 1vnd h GLN 52 Cb 1.83 0.05 -0.01 0.00 0.08 0.00 0.00 27.48 29.44 1vnd h GLN 52 CO 0.07 0.96 -0.22 -0.24 0.09 0.00 0.00 178.83 179.48 1vnd h VAL 53 N 0.02 1.30 -0.38 1.86 3.04 -1.68 -2.38 116.25 118.03 1vnd h VAL 53 Ca -0.11 -1.37 0.01 0.00 -1.01 0.00 0.00 66.70 64.22 1vnd h VAL 53 Cb 1.88 1.54 -0.02 0.00 -2.01 0.00 0.00 31.29 32.68 1vnd h VAL 53 CO 0.14 0.44 0.24 0.50 -1.01 0.00 0.00 177.57 177.88 1vnd h LYS 54 N 0.41 0.48 -0.00 4.17 3.11 -1.63 -2.92 116.57 120.19 1vnd h LYS 54 Ca 0.05 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.87 1vnd h LYS 54 Cb 0.78 -0.11 0.00 0.00 -1.00 0.00 0.00 32.23 31.90 1vnd h LYS 54 CO 0.06 0.32 -0.14 -0.89 -2.81 0.00 0.00 179.45 175.98 1vnd n ILE 55 N -4.84 0.00 -0.05 2.00 5.41 -1.13 -2.78 119.36 117.96 1vnd n ILE 55 Ca 0.00 -0.04 -0.15 0.00 1.00 0.00 0.00 62.75 63.57 1vnd n ILE 55 Cb 0.04 -0.13 -0.07 0.00 -0.71 0.00 0.00 39.64 38.77 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 0.37 0.77 0.00 1.39 7.01 -1.24 -2.96 115.95 121.29 1vnd h TRP 56 Ca 0.00 -0.29 0.00 0.00 2.11 0.00 0.00 58.89 60.71 1vnd h TRP 56 Cb 0.40 -0.14 0.00 0.00 -2.10 0.00 0.00 29.16 27.32 1vnd h TRP 56 CO 0.00 1.05 0.00 0.74 -2.79 0.00 0.00 178.44 177.44 1vnd h PHE 57 N 0.27 0.00 0.02 2.65 -1.00 -1.55 -2.80 116.94 114.53 1vnd h PHE 57 Ca -0.00 0.00 -0.26 0.00 2.81 0.00 0.00 57.97 60.52 1vnd h PHE 57 Cb 1.02 0.00 0.02 0.00 3.61 0.00 0.00 35.95 40.60 1vnd h PHE 57 CO 0.09 0.00 -1.05 0.37 -1.61 0.00 0.00 178.31 176.11 1vnd h GLN 58 N 0.00 0.61 0.00 1.51 4.15 -1.60 -3.36 115.11 116.42 1vnd h GLN 58 Ca 0.00 -0.69 0.00 0.00 0.77 0.00 0.00 58.65 58.73 1vnd h GLN 58 Cb 0.78 0.20 0.00 0.00 0.21 0.00 0.00 27.48 28.67 1vnd h GLN 58 CO 0.00 1.28 -0.76 -0.91 -1.93 0.00 0.00 178.83 176.51 1vnd h ASN 59 N 0.33 0.00 1.28 -0.69 4.21 -1.50 -3.35 115.58 115.87 1vnd h ASN 59 Ca -0.13 -0.01 -0.15 0.00 1.21 0.00 0.00 56.30 57.23 1vnd h ASN 59 Cb 1.71 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.89 1vnd h ASN 59 CO 0.20 0.00 -0.72 0.45 -1.29 0.00 0.00 177.43 176.07 1vnd h HIS 60 N 0.00 0.00 -0.67 1.19 3.86 -1.66 -3.35 115.15 114.52 1vnd h HIS 60 Ca 0.00 0.00 -0.40 0.00 -1.16 0.00 0.00 60.37 58.81 1vnd h HIS 60 Cb 0.99 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 29.33 1vnd h HIS 60 CO 0.00 0.70 0.25 2.89 0.86 0.00 0.00 177.93 182.64 1vnd n ARG 61 N -3.27 2.36 -2.68 2.45 1.85 -1.26 -4.70 116.66 111.42 1vnd n ARG 61 Ca 0.01 -1.90 -0.08 0.00 -1.00 0.00 0.00 57.85 54.88 1vnd n ARG 61 Cb 0.82 -2.12 0.05 0.00 -1.05 0.00 0.00 32.46 30.16 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 1.54 0.24 -3.60 2.89 9.36 -1.26 -5.01 117.16 121.32 1vnd n TYR 62 Ca 0.48 -2.53 -0.21 0.00 3.32 0.00 0.00 57.90 58.95 1vnd n TYR 62 Cb 0.67 0.13 0.06 0.00 -0.63 0.00 0.00 39.34 39.57 1vnd n TYR 62 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 1vnd n LYS 63 N -0.24 -6.25 0.15 2.98 2.85 -1.26 -4.60 118.16 111.80 1vnd n LYS 63 Ca 0.06 0.75 0.12 0.00 -1.05 0.00 0.00 58.31 58.18 1vnd n LYS 63 Cb 0.83 -5.62 0.08 0.00 -0.65 0.00 0.00 35.03 29.66 1vnd n LYS 63 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 1vnd h THR 64 N -2.07 0.00 -0.65 0.58 2.02 -1.85 -3.39 112.91 107.55 1vnd h THR 64 Ca -0.59 -1.00 -0.49 0.00 0.77 0.00 0.00 66.41 65.11 1vnd h THR 64 Cb 1.36 1.71 -0.11 0.00 -1.74 0.00 0.00 68.15 69.37 1vnd h THR 64 CO 0.55 0.00 1.04 0.29 0.37 0.00 0.00 175.52 177.78 1vnd n LYS 65 N -2.86 2.91 -3.67 6.66 4.76 -1.26 -4.73 118.16 119.97 1vnd n LYS 65 Ca 0.02 -2.18 0.03 0.00 -2.87 0.00 0.00 58.31 53.30 1vnd n LYS 65 Cb 0.54 -2.29 0.00 0.00 -1.84 0.00 0.00 35.03 31.44 1vnd n LYS 65 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 1vnd s ARG 66 N -0.34 0.26 -0.08 1.97 1.70 -1.26 -5.04 118.95 116.16 1vnd s ARG 66 Ca 0.62 -0.15 0.08 0.00 -0.47 0.00 0.00 55.73 55.81 1vnd s ARG 66 Cb 0.30 0.08 0.37 0.00 -0.57 0.00 0.00 34.95 35.14 1vnd s ARG 66 CO -0.11 -0.12 1.16 0.00 -1.08 0.00 0.00 175.30 175.14 1vnd n ALA 67 N -0.57 2.94 -3.14 7.88 0.00 -1.26 -4.41 120.51 121.94 1vnd n ALA 67 Ca -0.07 -0.83 -0.45 0.00 0.00 0.00 0.00 53.44 52.09 1vnd n ALA 67 Cb 0.62 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 19.03 1vnd n ALA 67 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1vnd s GLN 68 N -1.75 3.95 -0.38 0.00 -0.21 -1.26 -4.78 119.66 115.22 1vnd s GLN 68 Ca 0.26 -2.63 0.09 0.00 0.02 0.00 0.00 55.36 53.10 1vnd s GLN 68 Cb 0.18 -4.75 0.28 0.00 1.00 0.00 0.00 33.01 29.72 1vnd s GLN 68 CO 0.10 -1.51 0.59 -1.71 -2.12 0.00 0.00 175.29 170.64 1vnd n ASN 69 N 4.52 0.36 0.04 5.90 5.15 -1.26 -4.68 115.26 125.28 1vnd n ASN 69 Ca 0.26 -2.79 -0.15 0.00 -0.60 0.00 0.00 54.58 51.30 1vnd n ASN 69 Cb 0.44 -0.62 -0.10 0.00 -0.53 0.00 0.00 39.78 38.97 1vnd n ASN 69 CO 0.00 0.00 0.00 1.05 1.40 0.00 0.00 177.26 179.71 1vnd h GLU 70 N 3.70 -0.61 -5.13 1.20 9.09 -1.86 -3.39 114.58 117.58 1vnd h GLU 70 Ca 0.08 0.04 -0.67 0.00 0.05 0.00 0.00 59.36 58.86 1vnd h GLU 70 Cb 0.91 0.14 -0.33 0.00 -1.65 0.00 0.00 28.75 27.82 1vnd h GLU 70 CO 0.47 -0.41 -0.84 0.15 0.05 0.00 0.00 179.01 178.43 1vnd s LYS 71 N -5.64 3.08 0.00 1.06 1.02 -1.26 -4.79 119.74 113.21 1vnd s LYS 71 Ca -0.15 -0.80 0.00 0.00 0.02 0.00 0.00 55.97 55.03 1vnd s LYS 71 Cb 0.06 -2.57 0.00 0.00 -0.52 0.00 0.00 37.83 34.80 1vnd s LYS 71 CO 0.59 -0.10 0.00 0.41 -0.92 0.00 0.00 175.35 175.33 1vnd n GLY 72 N 4.34 0.04 2.73 -3.33 0.00 -1.26 -4.97 105.19 102.74 1vnd n GLY 72 Ca -0.20 -0.37 -0.27 0.00 0.00 0.00 0.00 46.02 45.18 1vnd n GLY 72 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1vnd s TYR 73 N -2.48 0.90 -0.80 1.61 1.13 -1.26 -4.65 117.35 111.79 1vnd s TYR 73 Ca 0.00 -0.71 0.02 0.00 -1.41 0.00 0.00 57.07 54.98 1vnd s TYR 73 Cb 0.00 -0.96 0.28 0.00 -1.10 0.00 0.00 41.96 40.17 1vnd s TYR 73 CO 0.00 -0.56 1.04 0.39 -2.51 0.00 0.00 175.55 173.91 1vnd n GLU 74 N 5.09 3.31 0.00 -3.49 1.02 -1.26 -4.91 120.64 120.40 1vnd n GLU 74 Ca -0.08 -4.65 0.00 0.00 -0.02 0.00 0.00 57.16 52.41 1vnd n GLU 74 Cb 0.48 -2.35 0.00 0.00 -0.02 0.00 0.00 31.44 29.55 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 0.94 1.00 2.69 0.62 0.00 -1.24 -3.99 105.19 105.21 1vnd n GLY 75 Ca 0.29 -0.78 -0.16 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.31 -2.18 1.61 5.65 -1.26 -4.74 115.29 114.06 1vnd s HIS 76 Ca 0.00 -1.12 0.31 0.00 0.25 0.00 0.00 55.06 54.50 1vnd s HIS 76 Cb 0.00 -0.33 1.60 0.00 -1.18 0.00 0.00 32.58 32.67 1vnd s HIS 76 CO 0.00 -1.02 2.06 -0.35 -0.65 0.00 0.00 174.74 174.78