#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 0.67 -2.72 0.00 3.41 -1.26 -4.70 113.62 109.02 1vnd n SER 2 Ca 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.53 1vnd n SER 2 Cb 0.00 1.21 0.08 0.00 -0.26 0.00 0.00 64.21 65.24 1vnd n SER 2 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1vnd n ASP 3 N -2.50 -2.31 -3.93 4.04 5.75 -1.26 -5.14 116.55 111.19 1vnd n ASP 3 Ca -0.21 -3.18 -0.09 0.00 -0.01 0.00 0.00 54.79 51.29 1vnd n ASP 3 Cb 0.90 1.70 -0.06 0.00 -1.03 0.00 0.00 41.12 42.63 1vnd n ASP 3 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1vnd s GLY 4 N -1.20 0.41 0.21 6.12 0.00 -1.26 -5.05 107.32 106.55 1vnd s GLY 4 Ca 0.26 -0.76 -0.16 0.00 0.00 0.00 0.00 44.72 44.05 1vnd s GLY 4 CO -0.14 -0.65 0.50 0.48 0.00 0.00 0.00 173.10 173.29 1vnd s LEU 5 N -2.97 0.21 0.19 0.66 0.05 -1.26 -4.19 118.68 111.37 1vnd s LEU 5 Ca 0.18 -0.64 -0.29 0.00 0.05 0.00 0.00 54.13 53.42 1vnd s LEU 5 Cb 0.01 2.00 -0.08 0.00 -2.05 0.00 0.00 46.19 46.07 1vnd s LEU 5 CO 0.03 -1.08 0.92 -2.16 -0.55 0.00 0.00 176.35 173.51 1vnd s PRO 6 N -3.92 4.77 0.00 1.48 0.04 -1.26 -4.34 135.00 131.77 1vnd s PRO 6 Ca 0.13 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.60 1vnd s PRO 6 Cb -0.01 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.23 1vnd s PRO 6 CO 0.01 0.44 0.00 0.09 0.04 0.00 0.00 177.00 177.58 1vnd n ASN 7 N 1.88 0.49 -0.50 6.66 3.02 -1.26 -5.06 115.26 120.50 1vnd n ASN 7 Ca -0.01 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.62 1vnd n ASN 7 Cb 0.48 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.68 1vnd n ASN 7 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1vnd n LYS 8 N 0.00 1.54 0.00 3.52 5.02 -1.26 -4.88 118.16 122.10 1vnd n LYS 8 Ca 0.00 -1.10 0.00 0.00 -2.02 0.00 0.00 58.31 55.19 1vnd n LYS 8 Cb 0.00 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 1vnd n LYS 8 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1vnd n LYS 9 N 0.34 0.00 -3.64 1.97 5.02 -1.26 -5.15 118.16 115.43 1vnd n LYS 9 Ca 0.08 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.29 1vnd n LYS 9 Cb 0.37 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.31 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 2.41 0.70 0.00 1.97 6.06 -1.26 -4.98 118.95 123.86 1vnd s ARG 10 Ca 0.00 1.20 0.00 0.00 -2.50 0.00 0.00 55.73 54.43 1vnd s ARG 10 Cb 0.00 0.15 0.00 0.00 0.06 0.00 0.00 34.95 35.16 1vnd s ARG 10 CO 0.00 -0.15 0.00 1.17 -2.50 0.00 0.00 175.30 173.82 1vnd n LYS 11 N 4.22 1.68 -0.46 5.12 4.81 -1.26 -4.94 118.16 127.33 1vnd n LYS 11 Ca -0.20 0.00 0.38 0.00 -0.87 0.00 0.00 58.31 57.63 1vnd n LYS 11 Cb 0.59 -0.15 0.67 0.00 0.02 0.00 0.00 35.03 36.15 1vnd n LYS 11 CO 0.00 0.00 0.00 0.07 1.17 0.00 0.00 177.40 178.64 1vnd h ARG 12 N 0.00 0.06 -7.18 1.64 -0.00 -1.94 -3.38 114.38 103.58 1vnd h ARG 12 Ca 0.00 -0.00 -0.45 0.00 -0.00 0.00 0.00 59.98 59.52 1vnd h ARG 12 Cb 0.00 -0.01 0.07 0.00 -0.00 0.00 0.00 29.97 30.03 1vnd h ARG 12 CO 0.00 0.04 0.15 1.03 -0.00 0.00 0.00 179.97 181.19 1vnd s ARG 13 N -5.27 2.17 1.31 0.08 1.81 -1.26 -2.37 118.95 115.42 1vnd s ARG 13 Ca -0.07 -0.49 -0.22 0.00 -1.72 0.00 0.00 55.73 53.23 1vnd s ARG 13 Cb 0.30 -2.26 0.33 0.00 -0.45 0.00 0.00 34.95 32.87 1vnd s ARG 13 CO 0.83 -1.17 1.06 0.14 -0.68 0.00 0.00 175.30 175.47 1vnd s VAL 14 N -3.13 1.38 0.00 3.52 -7.23 -1.26 -4.26 120.40 109.42 1vnd s VAL 14 Ca 0.61 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.78 1vnd s VAL 14 Cb -0.10 -2.37 0.00 0.00 0.56 0.00 0.00 36.38 34.47 1vnd s VAL 14 CO 0.43 0.00 0.00 0.18 -0.31 0.00 0.00 175.10 175.40 1vnd n LEU 15 N -5.14 0.00 -4.78 1.32 4.77 -1.26 -4.99 117.00 106.92 1vnd n LEU 15 Ca 0.15 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.83 1vnd n LEU 15 Cb 0.60 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.63 1vnd n LEU 15 CO 0.42 0.00 -0.26 -0.36 -1.33 0.00 0.00 177.39 175.86 1vnd s PHE 16 N 0.00 3.20 0.35 -1.77 0.08 -1.26 -4.91 117.98 113.67 1vnd s PHE 16 Ca 0.00 0.08 0.05 0.00 0.12 0.00 0.00 56.93 57.18 1vnd s PHE 16 Cb 0.00 -1.62 0.05 0.00 -0.57 0.00 0.00 43.02 40.88 1vnd s PHE 16 CO 0.00 0.52 0.43 2.41 -0.10 0.00 0.00 175.22 178.48 1vnd n THR 17 N 0.41 0.00 1.69 0.64 -1.04 -1.26 -4.84 114.28 109.88 1vnd n THR 17 Ca -0.08 -1.23 0.12 0.00 -2.04 0.00 0.00 64.05 60.82 1vnd n THR 17 Cb 0.52 -0.57 0.73 0.00 -1.82 0.00 0.00 70.33 69.19 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 -1.65 0.84 -0.04 -2.82 2.85 -1.26 -1.74 118.16 114.34 1vnd n LYS 18 Ca 0.07 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 57.14 1vnd n LYS 18 Cb 0.37 -1.46 -0.13 0.00 -0.65 0.00 0.00 35.03 33.16 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 3.60 0.14 0.11 0.58 0.00 -1.96 -3.36 119.26 118.38 1vnd h ALA 19 Ca 0.00 -0.94 -0.21 0.00 0.00 0.00 0.00 54.91 53.75 1vnd h ALA 19 Cb 0.00 0.40 0.02 0.00 0.00 0.00 0.00 17.79 18.21 1vnd h ALA 19 CO 0.00 0.54 -0.90 1.96 0.00 0.00 0.00 179.25 180.85 1vnd h GLN 20 N -0.69 0.42 -0.08 0.00 1.08 -1.82 -3.02 115.11 110.99 1vnd h GLN 20 Ca -0.23 -0.60 -0.13 0.00 -1.45 0.00 0.00 58.65 56.25 1vnd h GLN 20 Cb 1.43 0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 29.05 1vnd h GLN 20 CO -0.03 1.25 -0.51 1.79 -0.95 0.00 0.00 178.83 180.38 1vnd h THR 21 N -0.13 1.35 -0.03 -0.54 1.35 -1.61 -3.02 112.91 110.30 1vnd h THR 21 Ca -0.14 -1.77 -0.00 0.00 -0.55 0.00 0.00 66.41 63.94 1vnd h THR 21 Cb 1.66 1.86 -0.00 0.00 -1.73 0.00 0.00 68.15 69.94 1vnd h THR 21 CO 0.17 0.52 0.01 0.22 -0.25 0.00 0.00 175.52 176.19 1vnd h TYR 22 N 0.17 0.04 -0.07 4.73 3.20 -1.70 -3.02 116.97 120.33 1vnd h TYR 22 Ca 0.00 -0.01 -0.20 0.00 3.14 0.00 0.00 58.73 61.67 1vnd h TYR 22 Cb 0.97 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 39.22 1vnd h TYR 22 CO 0.02 0.26 -0.78 0.93 -1.64 0.00 0.00 178.16 176.95 1vnd h GLU 23 N -0.19 0.44 -0.26 1.82 4.39 -1.58 -2.83 114.58 116.37 1vnd h GLU 23 Ca 0.01 -0.38 -0.11 0.00 0.34 0.00 0.00 59.36 59.22 1vnd h GLU 23 Cb 0.24 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1vnd h GLU 23 CO 0.00 1.02 -0.26 -0.07 -1.16 0.00 0.00 179.01 178.55 1vnd h LEU 24 N 0.29 0.67 -0.89 1.33 3.38 -1.64 -2.91 115.31 115.55 1vnd h LEU 24 Ca -0.04 -0.47 -0.11 0.00 0.09 0.00 0.00 57.88 57.34 1vnd h LEU 24 Cb 1.37 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1vnd h LEU 24 CO 0.14 1.01 -0.44 -0.33 0.09 0.00 0.00 178.44 178.91 1vnd h GLU 25 N 0.35 0.26 0.00 1.13 4.39 -1.64 -3.08 114.58 115.99 1vnd h GLU 25 Ca 0.04 -0.13 -0.11 0.00 0.34 0.00 0.00 59.36 59.50 1vnd h GLU 25 Cb 0.82 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.45 1vnd h GLU 25 CO 0.06 0.65 -0.53 0.07 -1.16 0.00 0.00 179.01 178.10 1vnd h ARG 26 N 0.21 0.00 0.00 2.33 0.11 -1.53 -2.93 114.38 112.57 1vnd h ARG 26 Ca 0.02 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.95 1vnd h ARG 26 Cb 0.86 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.92 1vnd h ARG 26 CO 0.07 0.52 -0.72 0.00 0.10 0.00 0.00 179.97 179.94 1vnd h ARG 27 N 0.00 0.00 -0.60 0.08 2.47 -1.60 -3.36 114.38 111.37 1vnd h ARG 27 Ca -0.01 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.61 1vnd h ARG 27 Cb 1.40 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.70 1vnd h ARG 27 CO 0.07 0.72 -0.02 0.35 0.56 0.00 0.00 179.97 181.65 1vnd h PHE 28 N 0.00 1.18 0.00 3.04 3.57 -1.42 -1.84 116.94 121.47 1vnd h PHE 28 Ca -0.01 -0.21 0.00 0.00 3.53 0.00 0.00 57.97 61.28 1vnd h PHE 28 Cb 1.29 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.73 1vnd h PHE 28 CO 0.00 1.04 0.00 0.07 -2.23 0.00 0.00 178.31 177.19 1vnd h ARG 29 N 0.97 0.00 0.01 1.11 -0.00 -1.68 -3.22 114.38 111.57 1vnd h ARG 29 Ca 0.17 0.00 -0.36 0.00 -0.00 0.00 0.00 59.98 59.78 1vnd h ARG 29 Cb 0.58 0.00 -0.07 0.00 -0.00 0.00 0.00 29.97 30.49 1vnd h ARG 29 CO 0.03 0.00 -2.31 1.04 -0.00 0.00 0.00 179.97 178.74 1vnd n GLN 30 N -2.46 0.68 -3.56 0.08 1.13 -1.16 -5.06 117.38 107.02 1vnd n GLN 30 Ca 0.03 0.08 -0.12 0.00 -1.94 0.00 0.00 57.00 55.04 1vnd n GLN 30 Cb 0.30 -1.56 -0.05 0.00 0.11 0.00 0.00 30.24 29.03 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 -2.51 0.71 -0.22 -1.09 -2.07 -0.70 -5.08 119.66 108.70 1vnd s GLN 31 Ca -0.15 0.15 0.11 0.00 -1.82 0.00 0.00 55.36 53.65 1vnd s GLN 31 Cb 0.07 0.34 -0.22 0.00 -1.09 0.00 0.00 33.01 32.11 1vnd s GLN 31 CO 0.78 -0.23 -0.05 0.54 -1.32 0.00 0.00 175.29 175.01 1vnd n ARG 32 N 0.73 0.68 -5.10 9.60 5.12 -1.26 -3.79 116.66 122.64 1vnd n ARG 32 Ca -0.12 0.06 -0.29 0.00 -1.93 0.00 0.00 57.85 55.57 1vnd n ARG 32 Cb 0.58 -1.52 -0.16 0.00 -1.16 0.00 0.00 32.46 30.21 1vnd n ARG 32 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1vnd s TYR 33 N -2.50 2.04 -0.10 -1.55 1.51 -1.26 -4.97 117.35 110.52 1vnd s TYR 33 Ca -0.20 -0.39 -0.04 0.00 -1.01 0.00 0.00 57.07 55.43 1vnd s TYR 33 Cb 0.07 -1.31 0.05 0.00 -0.11 0.00 0.00 41.96 40.67 1vnd s TYR 33 CO 0.73 -0.02 0.20 -0.48 -1.11 0.00 0.00 175.55 174.87 1vnd s LEU 34 N -0.58 -0.08 0.54 -1.29 -0.00 -1.26 -5.16 118.68 110.84 1vnd s LEU 34 Ca 0.09 0.44 -0.03 0.00 -0.00 0.00 0.00 54.13 54.63 1vnd s LEU 34 Cb -0.09 0.47 0.01 0.00 -0.00 0.00 0.00 46.19 46.58 1vnd s LEU 34 CO -0.01 -0.23 0.80 -0.94 -0.00 0.00 0.00 176.35 175.98 1vnd s SER 35 N 2.20 5.62 0.41 1.48 1.04 -1.26 -4.63 113.70 118.56 1vnd s SER 35 Ca 0.01 0.46 0.21 0.00 0.48 0.00 0.00 55.95 57.12 1vnd s SER 35 Cb -0.12 -1.53 1.18 0.00 0.10 0.00 0.00 66.02 65.65 1vnd s SER 35 CO -0.07 -0.95 1.76 0.00 0.98 0.00 0.00 173.24 174.95 1vnd h ALA 36 N 0.05 2.36 -0.07 5.32 0.00 -2.02 -0.43 119.26 124.48 1vnd h ALA 36 Ca -0.45 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.43 1vnd h ALA 36 Cb 1.26 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1vnd h ALA 36 CO 0.58 -0.79 -0.34 -1.35 0.00 0.00 0.00 179.25 177.35 1vnd h PRO 37 N 0.32 0.14 0.00 0.00 0.11 -1.99 -2.99 132.00 127.59 1vnd h PRO 37 Ca 0.62 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.65 1vnd h PRO 37 Cb 1.69 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.79 1vnd h PRO 37 CO -0.29 0.47 -1.88 -0.85 -0.21 0.00 0.00 178.00 175.25 1vnd n GLU 38 N -4.10 0.60 0.10 1.05 0.28 -0.98 -4.18 120.64 113.41 1vnd n GLU 38 Ca -0.01 -0.16 -0.23 0.00 -0.16 0.00 0.00 57.16 56.60 1vnd n GLU 38 Cb 0.41 -1.45 -0.15 0.00 1.43 0.00 0.00 31.44 31.68 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 0.44 0.00 3.44 2.43 -1.17 -3.03 114.38 116.49 1vnd h ARG 39 Ca -0.03 -0.75 -0.02 0.00 -0.81 0.00 0.00 59.98 58.38 1vnd h ARG 39 Cb 0.93 0.28 -0.00 0.00 -0.42 0.00 0.00 29.97 30.75 1vnd h ARG 39 CO 0.00 1.36 -0.11 0.93 -1.51 0.00 0.00 179.97 180.64 1vnd h GLU 40 N -0.08 0.00 0.00 0.20 4.39 -1.77 -2.96 114.58 114.36 1vnd h GLU 40 Ca -0.21 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.31 1vnd h GLU 40 Cb 1.94 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.57 1vnd h GLU 40 CO 0.22 0.07 -0.87 1.25 -1.16 0.00 0.00 179.01 178.52 1vnd h HIS 41 N 0.00 0.00 -0.00 4.33 2.76 -1.73 -2.58 115.15 117.93 1vnd h HIS 41 Ca -0.00 0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 58.01 1vnd h HIS 41 Cb 1.06 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.00 1vnd h HIS 41 CO 0.00 0.83 -0.76 1.25 -1.30 0.00 0.00 177.93 177.95 1vnd h LEU 42 N 0.00 0.07 0.00 0.26 7.12 -1.49 -2.29 115.31 118.98 1vnd h LEU 42 Ca -0.02 -0.05 -0.14 0.00 0.13 0.00 0.00 57.88 57.80 1vnd h LEU 42 Cb 1.65 -0.02 -0.02 0.00 -0.53 0.00 0.00 40.66 41.74 1vnd h LEU 42 CO 0.11 0.80 -0.74 0.00 -0.13 0.00 0.00 178.44 178.48 1vnd h ALA 43 N 1.20 0.60 0.00 1.25 0.00 -1.55 -2.71 119.26 118.05 1vnd h ALA 43 Ca -0.01 -0.62 -0.19 0.00 0.00 0.00 0.00 54.91 54.09 1vnd h ALA 43 Cb 1.34 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 1vnd h ALA 43 CO 0.10 0.82 -1.14 0.77 0.00 0.00 0.00 179.25 179.81 1vnd h SER 44 N 0.00 0.00 0.09 0.00 0.02 -1.51 0.32 113.55 112.47 1vnd h SER 44 Ca -0.03 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.67 1vnd h SER 44 Cb 1.51 0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.06 1vnd h SER 44 CO 0.08 0.74 -0.99 0.25 -1.14 0.00 0.00 176.83 175.77 1vnd h LEU 45 N 0.00 0.80 0.00 5.07 7.12 -1.48 -3.36 115.31 123.46 1vnd h LEU 45 Ca -0.11 -0.63 0.00 0.00 0.13 0.00 0.00 57.88 57.27 1vnd h LEU 45 Cb 1.66 -0.24 0.00 0.00 -0.53 0.00 0.00 40.66 41.55 1vnd h LEU 45 CO 0.08 1.43 -1.58 2.30 -0.13 0.00 0.00 178.44 180.54 1vnd n ILE 46 N -3.83 0.00 -0.89 4.05 -5.35 -1.02 -5.06 119.36 107.27 1vnd n ILE 46 Ca -0.09 -0.33 0.00 0.00 -0.27 0.00 0.00 62.75 62.05 1vnd n ILE 46 Cb 0.86 0.30 0.00 0.00 -1.74 0.00 0.00 39.64 39.06 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 -1.95 0.00 -2.12 6.28 3.00 -0.84 -5.01 116.66 116.03 1vnd n ARG 47 Ca -0.02 0.09 -0.01 0.00 -0.00 0.00 0.00 57.85 57.91 1vnd n ARG 47 Cb 0.41 -0.89 -0.00 0.00 0.00 0.00 0.00 32.46 31.98 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 -0.80 0.00 -4.89 6.15 4.77 0.04 -5.03 117.00 117.24 1vnd n LEU 48 Ca 0.00 -0.16 -0.33 0.00 -0.03 0.00 0.00 56.01 55.49 1vnd n LEU 48 Cb 0.30 0.07 -0.05 0.00 -2.33 0.00 0.00 43.42 41.41 1vnd n LEU 48 CO 0.00 -0.03 -0.01 0.42 -1.33 0.00 0.00 177.39 176.44 1vnd s THR 49 N -1.83 5.22 0.62 -5.08 -4.23 -1.26 -4.68 115.64 104.39 1vnd s THR 49 Ca 0.02 0.11 0.42 0.00 -1.18 0.00 0.00 61.69 61.06 1vnd s THR 49 Cb 0.00 -3.61 0.42 0.00 1.34 0.00 0.00 72.50 70.66 1vnd s THR 49 CO 0.01 0.20 2.30 -0.65 -0.54 0.00 0.00 174.62 175.94 1vnd h PRO 50 N 3.38 0.00 0.02 3.99 0.11 -1.96 -3.05 132.00 134.49 1vnd h PRO 50 Ca -0.48 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.34 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 0.70 0.00 -1.67 0.00 -0.21 0.00 0.00 178.00 176.82 1vnd h THR 51 N 0.00 0.92 0.02 -1.15 1.03 -1.99 -2.96 112.91 108.78 1vnd h THR 51 Ca 0.00 -2.73 -0.24 0.00 -0.01 0.00 0.00 66.41 63.43 1vnd h THR 51 Cb 0.05 2.49 -0.03 0.00 -1.07 0.00 0.00 68.15 69.60 1vnd h THR 51 CO 0.00 0.61 -1.22 0.06 -0.01 0.00 0.00 175.52 174.95 1vnd h GLN 52 N 0.01 0.05 -0.35 0.00 3.07 -1.97 -2.98 115.11 112.94 1vnd h GLN 52 Ca -0.28 -0.08 -0.11 0.00 0.09 0.00 0.00 58.65 58.28 1vnd h GLN 52 Cb 2.00 0.03 -0.01 0.00 0.08 0.00 0.00 27.48 29.58 1vnd h GLN 52 CO 0.09 0.92 -0.19 -0.24 0.09 0.00 0.00 178.83 179.50 1vnd h VAL 53 N 0.01 1.29 -0.45 1.86 3.04 -1.69 -2.67 116.25 117.63 1vnd h VAL 53 Ca -0.10 -1.32 0.07 0.00 -1.01 0.00 0.00 66.70 64.33 1vnd h VAL 53 Cb 1.86 1.38 -0.06 0.00 -2.01 0.00 0.00 31.29 32.47 1vnd h VAL 53 CO 0.13 0.43 0.12 0.11 -1.01 0.00 0.00 177.57 177.35 1vnd h LYS 54 N 0.54 0.25 -0.00 4.17 1.79 -1.60 -2.96 116.57 118.75 1vnd h LYS 54 Ca 0.08 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1vnd h LYS 54 Cb 0.74 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.34 1vnd h LYS 54 CO 0.06 0.17 -0.28 -0.89 -1.08 0.00 0.00 179.45 177.42 1vnd n ILE 55 N -5.07 0.00 -0.04 1.86 5.41 -1.12 -2.58 119.36 117.81 1vnd n ILE 55 Ca 0.04 -0.03 -0.16 0.00 1.00 0.00 0.00 62.75 63.60 1vnd n ILE 55 Cb 0.20 0.05 -0.07 0.00 -0.71 0.00 0.00 39.64 39.11 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 0.29 0.92 0.00 1.39 7.01 -1.37 -3.18 115.95 121.02 1vnd h TRP 56 Ca 0.00 -0.38 0.00 0.00 2.11 0.00 0.00 58.89 60.62 1vnd h TRP 56 Cb 0.47 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 27.38 1vnd h TRP 56 CO 0.00 1.19 -0.22 1.19 -2.79 0.00 0.00 178.44 177.81 1vnd n PHE 57 N -4.09 0.74 0.10 2.65 3.72 -1.13 -2.62 117.46 116.83 1vnd n PHE 57 Ca -0.07 0.21 -0.20 0.00 -0.05 0.00 0.00 57.45 57.35 1vnd n PHE 57 Cb 0.65 -0.81 -0.12 0.00 -0.94 0.00 0.00 39.48 38.26 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 0.51 0.00 -1.08 4.15 -1.60 -3.31 115.11 113.78 1vnd h GLN 58 Ca 0.00 -0.70 0.00 0.00 0.77 0.00 0.00 58.65 58.72 1vnd h GLN 58 Cb 0.72 0.24 0.00 0.00 0.21 0.00 0.00 27.48 28.65 1vnd h GLN 58 CO 0.00 1.31 -0.91 -0.91 -1.93 0.00 0.00 178.83 176.38 1vnd h ASN 59 N 0.22 0.00 1.28 -0.69 2.35 -1.60 -3.36 115.58 113.77 1vnd h ASN 59 Ca -0.17 -0.08 -0.14 0.00 -0.55 0.00 0.00 56.30 55.37 1vnd h ASN 59 Cb 1.89 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 40.24 1vnd h ASN 59 CO 0.22 0.04 -0.74 0.45 -1.65 0.00 0.00 177.43 175.75 1vnd h HIS 60 N 0.00 0.00 -0.31 1.19 3.86 -1.65 -3.38 115.15 114.86 1vnd h HIS 60 Ca 0.00 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 59.00 1vnd h HIS 60 Cb 0.92 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 29.30 1vnd h HIS 60 CO 0.00 0.61 0.27 2.89 0.86 0.00 0.00 177.93 182.56 1vnd n ARG 61 N -3.20 1.51 0.00 2.45 -4.01 -1.25 -4.75 116.66 107.42 1vnd n ARG 61 Ca -0.00 -1.02 0.00 0.00 -1.04 0.00 0.00 57.85 55.79 1vnd n ARG 61 Cb 0.79 -1.40 0.00 0.00 -3.04 0.00 0.00 32.46 28.81 1vnd n ARG 61 CO 0.00 0.00 0.00 0.98 -3.04 0.00 0.00 177.63 175.57 1vnd n TYR 62 N 0.65 0.00 -3.28 2.89 9.36 -1.26 -5.05 117.16 120.47 1vnd n TYR 62 Ca 0.20 0.00 -0.24 0.00 3.32 0.00 0.00 57.90 61.17 1vnd n TYR 62 Cb 0.59 0.00 -0.08 0.00 -0.63 0.00 0.00 39.34 39.22 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 0.00 0.36 -3.37 2.98 0.00 -1.26 -5.08 118.16 111.79 1vnd n LYS 63 Ca 0.00 -3.08 -0.45 0.00 -0.00 0.00 0.00 58.31 54.79 1vnd n LYS 63 Cb 0.00 -1.53 -0.07 0.00 -0.00 0.00 0.00 35.03 33.43 1vnd n LYS 63 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1vnd s THR 64 N -0.20 5.18 -0.34 0.58 -4.23 -1.26 -4.95 115.64 110.41 1vnd s THR 64 Ca 0.33 -1.25 0.00 0.00 -1.18 0.00 0.00 61.69 59.60 1vnd s THR 64 Cb 0.08 -4.18 0.03 0.00 1.34 0.00 0.00 72.50 69.77 1vnd s THR 64 CO -0.17 -0.69 0.87 2.29 -0.54 0.00 0.00 174.62 176.39 1vnd n LYS 65 N 5.21 1.09 -4.34 3.99 2.85 -1.26 -4.92 118.16 120.78 1vnd n LYS 65 Ca -0.13 -0.13 -0.25 0.00 -1.05 0.00 0.00 58.31 56.75 1vnd n LYS 65 Cb 0.42 -1.21 -0.09 0.00 -0.65 0.00 0.00 35.03 33.50 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 -0.46 2.01 -0.47 -1.58 3.52 -1.26 -5.10 118.95 115.61 1vnd s ARG 66 Ca 0.02 -1.42 -0.22 0.00 -0.13 0.00 0.00 55.73 53.98 1vnd s ARG 66 Cb 0.02 -2.06 0.03 0.00 -1.56 0.00 0.00 34.95 31.38 1vnd s ARG 66 CO 0.01 0.39 0.77 0.00 -0.81 0.00 0.00 175.30 175.66 1vnd s ALA 67 N -2.02 3.29 -0.72 6.12 0.00 -1.26 -5.00 121.76 122.16 1vnd s ALA 67 Ca 0.27 -1.18 -0.14 0.00 0.00 0.00 0.00 51.96 50.91 1vnd s ALA 67 Cb -0.07 -3.48 0.19 0.00 0.00 0.00 0.00 23.12 19.76 1vnd s ALA 67 CO 0.16 -2.00 0.66 -0.65 0.00 0.00 0.00 175.76 173.93 1vnd s GLN 68 N 3.25 3.35 -0.45 0.00 -0.21 -1.26 -4.88 119.66 119.45 1vnd s GLN 68 Ca 0.27 -2.22 0.07 0.00 0.02 0.00 0.00 55.36 53.49 1vnd s GLN 68 Cb -0.13 -4.35 0.23 0.00 1.00 0.00 0.00 33.01 29.76 1vnd s GLN 68 CO 0.20 -1.29 0.69 -1.71 -2.12 0.00 0.00 175.29 171.06 1vnd n ASN 69 N 4.36 -1.65 -0.23 5.90 5.15 -1.26 -5.08 115.26 122.45 1vnd n ASN 69 Ca 0.05 -2.96 0.02 0.00 -0.60 0.00 0.00 54.58 51.09 1vnd n ASN 69 Cb 0.44 0.72 0.12 0.00 -0.53 0.00 0.00 39.78 40.54 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 4.25 0.11 -5.17 1.20 -0.00 -1.90 -3.23 114.58 109.85 1vnd h GLU 70 Ca -0.01 -0.01 -0.64 0.00 -0.00 0.00 0.00 59.36 58.70 1vnd h GLU 70 Cb 0.97 -0.02 -0.23 0.00 -0.00 0.00 0.00 28.75 29.47 1vnd h GLU 70 CO 0.35 0.07 -0.67 -1.59 -0.00 0.00 0.00 179.01 177.17 1vnd s LYS 71 N -6.14 3.62 0.00 1.06 -2.85 -1.26 -4.68 119.74 109.49 1vnd s LYS 71 Ca -0.13 -0.53 0.00 0.00 -1.00 0.00 0.00 55.97 54.31 1vnd s LYS 71 Cb 0.20 -3.03 0.00 0.00 -2.06 0.00 0.00 37.83 32.94 1vnd s LYS 71 CO 0.74 0.07 0.00 0.41 0.10 0.00 0.00 175.35 176.67 1vnd n GLY 72 N 4.07 2.13 0.21 0.59 0.00 -1.10 -4.97 105.19 106.13 1vnd n GLY 72 Ca -0.17 -0.47 0.06 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.48 1.61 3.20 -1.83 -3.21 116.97 116.26 1vnd h TYR 73 Ca 0.00 0.00 -0.34 0.00 3.14 0.00 0.00 58.73 61.53 1vnd h TYR 73 Cb 0.00 0.00 -0.25 0.00 1.54 0.00 0.00 36.73 38.02 1vnd h TYR 73 CO 0.00 0.29 -0.55 -0.85 -1.64 0.00 0.00 178.16 175.42 1vnd n GLU 74 N -3.81 2.73 0.00 1.82 0.00 -1.26 -5.03 120.64 115.08 1vnd n GLU 74 Ca -0.01 -3.74 0.00 0.00 0.00 0.00 0.00 57.16 53.40 1vnd n GLU 74 Cb 0.38 -2.02 0.00 0.00 0.00 0.00 0.00 31.44 29.80 1vnd n GLU 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1vnd n GLY 75 N -0.90 1.50 1.66 -1.84 0.00 -1.21 -4.69 105.19 99.71 1vnd n GLY 75 Ca 0.36 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1vnd n GLY 75 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1vnd n HIS 76 N 0.00 -1.23 1.65 1.61 8.25 -1.26 -4.56 115.22 119.68 1vnd n HIS 76 Ca 0.00 0.22 0.13 0.00 -0.26 0.00 0.00 57.72 57.81 1vnd n HIS 76 Cb 0.00 0.37 0.78 0.00 1.12 0.00 0.00 29.99 32.27 1vnd n HIS 76 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63