#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 0.88 -3.82 0.00 7.64 -1.26 -5.00 113.62 112.07 1vnd n SER 2 Ca 0.00 -2.23 -0.30 0.00 1.01 0.00 0.00 58.87 57.35 1vnd n SER 2 Cb 0.00 -0.30 -0.15 0.00 -1.01 0.00 0.00 64.21 62.75 1vnd n SER 2 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1vnd s ASP 3 N -1.91 4.25 0.00 6.43 1.01 -1.26 -5.08 116.67 120.11 1vnd s ASP 3 Ca 0.26 -1.80 0.00 0.00 0.71 0.00 0.00 52.55 51.72 1vnd s ASP 3 Cb 0.29 -1.09 0.00 0.00 1.01 0.00 0.00 42.92 43.13 1vnd s ASP 3 CO -0.11 -0.40 0.00 0.61 0.21 0.00 0.00 175.17 175.47 1vnd n GLY 4 N 4.67 4.73 2.58 0.21 0.00 -1.26 -5.13 105.19 110.99 1vnd n GLY 4 Ca -0.00 -1.17 -0.28 0.00 0.00 0.00 0.00 46.02 44.57 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 2.58 -1.16 0.99 1.02 -1.26 -5.04 118.68 115.81 1vnd s LEU 5 Ca 0.00 -3.26 -0.15 0.00 0.02 0.00 0.00 54.13 50.74 1vnd s LEU 5 Cb 0.00 -0.86 0.16 0.00 0.02 0.00 0.00 46.19 45.51 1vnd s LEU 5 CO 0.00 -0.15 1.39 -2.16 0.02 0.00 0.00 176.35 175.45 1vnd s PRO 6 N -0.37 3.99 0.00 1.29 0.04 -1.26 -4.73 135.00 133.96 1vnd s PRO 6 Ca 0.29 -2.38 0.00 0.00 0.04 0.00 0.00 61.00 58.94 1vnd s PRO 6 Cb -0.02 -5.06 0.00 0.00 0.04 0.00 0.00 34.50 29.46 1vnd s PRO 6 CO -0.17 -1.80 0.00 -1.71 0.04 0.00 0.00 177.00 173.37 1vnd n ASN 7 N 5.99 0.00 -4.49 6.66 5.15 -1.26 -5.16 115.26 122.14 1vnd n ASN 7 Ca 0.35 0.00 -0.25 0.00 -0.60 0.00 0.00 54.58 54.07 1vnd n ASN 7 Cb 0.44 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.59 1vnd n ASN 7 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1vnd s LYS 8 N 2.37 1.77 0.00 1.20 3.01 -1.26 -5.01 119.74 121.82 1vnd s LYS 8 Ca 0.00 -1.55 0.00 0.00 -1.01 0.00 0.00 55.97 53.41 1vnd s LYS 8 Cb 0.00 -1.91 0.00 0.00 -1.01 0.00 0.00 37.83 34.91 1vnd s LYS 8 CO 0.00 0.38 0.00 1.17 0.51 0.00 0.00 175.35 177.41 1vnd n LYS 9 N -0.23 0.97 -4.15 1.68 3.00 -1.26 -5.07 118.16 113.09 1vnd n LYS 9 Ca -0.09 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.13 1vnd n LYS 9 Cb 0.58 -0.66 -0.10 0.00 0.00 0.00 0.00 35.03 34.84 1vnd n LYS 9 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 1vnd s ARG 10 N -1.33 0.82 -0.04 1.64 1.04 -1.26 -5.17 118.95 114.65 1vnd s ARG 10 Ca 0.00 -1.35 0.05 0.00 -1.04 0.00 0.00 55.73 53.39 1vnd s ARG 10 Cb 0.00 0.02 -0.01 0.00 -2.04 0.00 0.00 34.95 32.92 1vnd s ARG 10 CO 0.00 -0.11 -0.19 0.15 -0.04 0.00 0.00 175.30 175.11 1vnd s LYS 11 N -3.92 1.91 0.00 3.89 1.02 -1.26 -5.15 119.74 116.24 1vnd s LYS 11 Ca 0.14 -0.67 0.00 0.00 0.02 0.00 0.00 55.97 55.47 1vnd s LYS 11 Cb 0.07 -1.66 0.00 0.00 -0.52 0.00 0.00 37.83 35.72 1vnd s LYS 11 CO -0.04 0.28 0.00 0.54 -0.92 0.00 0.00 175.35 175.21 1vnd n ARG 12 N 3.08 0.00 -3.09 1.68 1.74 -1.26 -5.11 116.66 113.69 1vnd n ARG 12 Ca -0.18 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.70 1vnd n ARG 12 Cb 0.53 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 32.03 1vnd n ARG 12 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1vnd s ARG 13 N 0.00 2.25 0.00 5.56 1.81 -1.26 -5.16 118.95 122.15 1vnd s ARG 13 Ca 0.00 -1.71 0.00 0.00 -1.72 0.00 0.00 55.73 52.30 1vnd s ARG 13 Cb 0.00 -2.60 0.00 0.00 -0.45 0.00 0.00 34.95 31.90 1vnd s ARG 13 CO 0.00 -0.91 0.19 1.33 -0.68 0.00 0.00 175.30 175.24 1vnd n VAL 14 N -2.25 0.00 -1.71 3.52 0.24 -1.26 -4.95 118.33 111.91 1vnd n VAL 14 Ca 0.15 0.52 -0.43 0.00 -2.04 0.00 0.00 64.34 62.55 1vnd n VAL 14 Cb 0.62 -1.18 -0.01 0.00 -1.47 0.00 0.00 33.84 31.79 1vnd n VAL 14 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1vnd n LEU 15 N -0.29 3.73 -4.88 1.34 -0.00 -1.26 -5.00 117.00 110.64 1vnd n LEU 15 Ca 0.00 1.18 -0.33 0.00 -0.00 0.00 0.00 56.01 56.86 1vnd n LEU 15 Cb 0.00 -1.51 -0.05 0.00 -0.00 0.00 0.00 43.42 41.86 1vnd n LEU 15 CO 0.00 -0.28 0.01 -0.36 -0.00 0.00 0.00 177.39 176.76 1vnd s PHE 16 N -0.57 3.54 0.00 1.47 0.08 -1.26 -5.12 117.98 116.11 1vnd s PHE 16 Ca 0.61 0.63 0.00 0.00 0.12 0.00 0.00 56.93 58.28 1vnd s PHE 16 Cb -0.57 -2.04 0.00 0.00 -0.57 0.00 0.00 43.02 39.84 1vnd s PHE 16 CO 0.56 0.52 0.00 2.41 -0.10 0.00 0.00 175.22 178.61 1vnd n THR 17 N 0.66 0.00 0.52 0.64 -1.04 -1.26 -4.97 114.28 108.83 1vnd n THR 17 Ca -0.07 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 61.96 1vnd n THR 17 Cb 0.52 -0.18 0.10 0.00 -1.82 0.00 0.00 70.33 68.96 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 -0.16 2.00 -0.08 -2.82 5.02 -1.26 -2.31 118.16 118.55 1vnd n LYS 18 Ca 0.00 -0.80 -0.19 0.00 -2.02 0.00 0.00 58.31 55.30 1vnd n LYS 18 Cb 0.00 -1.70 -0.12 0.00 -0.02 0.00 0.00 35.03 33.19 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 2.51 0.14 0.02 7.82 0.00 -1.99 -3.39 119.26 124.38 1vnd h ALA 19 Ca 0.00 -0.90 -0.04 0.00 0.00 0.00 0.00 54.91 53.97 1vnd h ALA 19 Cb 0.88 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1vnd h ALA 19 CO 0.13 0.41 -0.16 1.96 0.00 0.00 0.00 179.25 181.59 1vnd h GLN 20 N -0.94 0.07 -0.01 0.00 1.08 -1.84 -3.01 115.11 110.46 1vnd h GLN 20 Ca -0.20 -0.11 -0.11 0.00 -1.45 0.00 0.00 58.65 56.78 1vnd h GLN 20 Cb 1.21 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.66 1vnd h GLN 20 CO -0.10 0.99 -0.54 1.79 -0.95 0.00 0.00 178.83 180.02 1vnd h THR 21 N -0.79 1.38 -0.01 -0.54 1.35 -1.83 -3.01 112.91 109.46 1vnd h THR 21 Ca -0.03 -1.84 -0.00 0.00 -0.55 0.00 0.00 66.41 63.99 1vnd h THR 21 Cb 1.06 1.98 -0.00 0.00 -1.73 0.00 0.00 68.15 69.46 1vnd h THR 21 CO 0.03 0.53 -0.00 0.22 -0.25 0.00 0.00 175.52 176.05 1vnd h TYR 22 N 0.02 0.02 -0.15 4.73 3.20 -1.77 -3.02 116.97 120.00 1vnd h TYR 22 Ca -0.00 -0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.67 1vnd h TYR 22 Cb 0.95 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 39.22 1vnd h TYR 22 CO 0.00 0.37 -0.67 0.93 -1.64 0.00 0.00 178.16 177.15 1vnd h GLU 23 N -0.33 0.60 -0.34 1.82 4.39 -1.57 -2.89 114.58 116.26 1vnd h GLU 23 Ca 0.00 -0.44 -0.13 0.00 0.34 0.00 0.00 59.36 59.13 1vnd h GLU 23 Cb 0.36 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1vnd h GLU 23 CO 0.00 1.06 -0.30 -0.07 -1.16 0.00 0.00 179.01 178.54 1vnd h LEU 24 N 0.43 0.84 -0.73 1.33 3.38 -1.64 -2.98 115.31 115.94 1vnd h LEU 24 Ca -0.02 -0.46 -0.13 0.00 0.09 0.00 0.00 57.88 57.36 1vnd h LEU 24 Cb 1.25 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1vnd h LEU 24 CO 0.13 1.13 -0.54 -0.33 0.09 0.00 0.00 178.44 178.91 1vnd h GLU 25 N 0.58 0.25 -0.10 1.13 4.39 -1.63 -3.01 114.58 116.19 1vnd h GLU 25 Ca 0.06 -0.16 -0.22 0.00 0.34 0.00 0.00 59.36 59.38 1vnd h GLU 25 Cb 0.87 0.02 0.01 0.00 -0.10 0.00 0.00 28.75 29.55 1vnd h GLU 25 CO 0.08 0.73 -0.82 0.07 -1.16 0.00 0.00 179.01 177.91 1vnd h ARG 26 N 0.20 0.73 -0.07 2.33 0.11 -1.55 -3.14 114.38 112.98 1vnd h ARG 26 Ca 0.00 -0.65 0.00 0.00 0.10 0.00 0.00 59.98 59.43 1vnd h ARG 26 Cb 1.02 0.15 0.00 0.00 1.11 0.00 0.00 29.97 32.25 1vnd h ARG 26 CO 0.08 1.25 0.00 2.89 0.10 0.00 0.00 179.97 184.30 1vnd n ARG 27 N -3.96 1.46 0.07 0.08 1.85 -1.13 -2.24 116.66 112.79 1vnd n ARG 27 Ca -0.09 -0.69 -0.21 0.00 -1.00 0.00 0.00 57.85 55.87 1vnd n ARG 27 Cb 0.77 -1.41 -0.13 0.00 -1.05 0.00 0.00 32.46 30.64 1vnd n ARG 27 CO 0.00 0.00 0.00 0.35 -0.01 0.00 0.00 177.63 177.97 1vnd h PHE 28 N 1.49 0.78 0.00 2.89 3.57 -1.59 -3.29 116.94 120.78 1vnd h PHE 28 Ca 0.00 -0.51 -0.13 0.00 3.53 0.00 0.00 57.97 60.86 1vnd h PHE 28 Cb 0.32 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 1vnd h PHE 28 CO 0.04 1.37 -0.64 -0.09 -2.23 0.00 0.00 178.31 176.76 1vnd h ARG 29 N -0.03 0.00 0.00 1.11 1.12 -1.46 -3.25 114.38 111.88 1vnd h ARG 29 Ca -0.16 0.00 -0.21 0.00 -1.11 0.00 0.00 59.98 58.51 1vnd h ARG 29 Cb 1.73 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 31.66 1vnd h ARG 29 CO 0.19 0.64 -1.36 0.37 -3.11 0.00 0.00 179.97 176.71 1vnd h GLN 30 N 0.00 0.00 -2.03 0.20 5.75 -1.67 -3.49 115.11 113.88 1vnd h GLN 30 Ca -0.01 0.00 0.18 0.00 -0.15 0.00 0.00 58.65 58.68 1vnd h GLN 30 Cb 1.18 0.00 -0.14 0.00 1.07 0.00 0.00 27.48 29.59 1vnd h GLN 30 CO 0.08 0.46 0.60 1.14 -2.65 0.00 0.00 178.83 178.46 1vnd s GLN 31 N -2.80 0.75 -0.18 1.69 -2.07 -1.23 -5.08 119.66 110.75 1vnd s GLN 31 Ca -0.02 -0.34 0.03 0.00 -1.82 0.00 0.00 55.36 53.21 1vnd s GLN 31 Cb 0.08 0.31 -0.13 0.00 -1.09 0.00 0.00 33.01 32.18 1vnd s GLN 31 CO 0.81 -0.34 -0.14 0.54 -1.32 0.00 0.00 175.29 174.84 1vnd n ARG 32 N -0.30 0.61 0.17 9.60 1.74 -1.26 -3.90 116.66 123.32 1vnd n ARG 32 Ca -0.06 0.10 0.06 0.00 -0.77 0.00 0.00 57.85 57.17 1vnd n ARG 32 Cb 0.61 -1.38 0.15 0.00 -1.02 0.00 0.00 32.46 30.82 1vnd n ARG 32 CO 0.00 0.00 0.00 0.10 -1.52 0.00 0.00 177.63 176.21 1vnd h TYR 33 N 0.00 0.00 0.00 -1.55 -0.00 -1.97 -3.49 116.97 109.97 1vnd h TYR 33 Ca -0.42 0.00 -0.45 0.00 -0.00 0.00 0.00 58.73 57.86 1vnd h TYR 33 Cb 1.69 0.00 -0.04 0.00 -0.00 0.00 0.00 36.73 38.38 1vnd h TYR 33 CO 0.02 0.36 0.97 1.47 -0.00 0.00 0.00 178.16 180.98 1vnd n LEU 34 N -3.25 0.39 -4.82 0.10 -0.00 -1.26 -5.00 117.00 103.16 1vnd n LEU 34 Ca 0.02 0.34 -0.23 0.00 -0.00 0.00 0.00 56.01 56.13 1vnd n LEU 34 Cb 0.63 -0.60 -0.05 0.00 -0.00 0.00 0.00 43.42 43.40 1vnd n LEU 34 CO 0.38 -0.50 -0.07 -0.44 -0.00 0.00 0.00 177.39 176.76 1vnd s SER 35 N 4.65 4.70 0.39 1.45 0.01 -1.26 -4.68 113.70 118.96 1vnd s SER 35 Ca 0.83 -0.97 0.26 0.00 1.31 0.00 0.00 55.95 57.38 1vnd s SER 35 Cb -0.94 -0.39 1.37 0.00 0.21 0.00 0.00 66.02 66.28 1vnd s SER 35 CO 0.40 -0.67 1.51 0.00 0.41 0.00 0.00 173.24 174.89 1vnd n ALA 36 N -1.43 1.17 0.05 1.44 0.00 -1.26 -2.03 120.51 118.45 1vnd n ALA 36 Ca 0.01 0.90 -0.01 0.00 0.00 0.00 0.00 53.44 54.34 1vnd n ALA 36 Cb 0.63 -1.00 0.29 0.00 0.00 0.00 0.00 19.45 19.37 1vnd n ALA 36 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1vnd h PRO 37 N 0.00 0.40 0.00 0.00 0.11 -1.99 -2.97 132.00 127.55 1vnd h PRO 37 Ca 0.83 -0.11 -0.14 0.00 0.11 0.00 0.00 66.00 66.69 1vnd h PRO 37 Cb 2.48 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 33.53 1vnd h PRO 37 CO -0.57 0.55 -1.96 -0.85 -0.21 0.00 0.00 178.00 174.96 1vnd n GLU 38 N -4.20 0.90 0.08 1.05 0.28 -0.99 -4.26 120.64 113.51 1vnd n GLU 38 Ca -0.00 -0.09 -0.16 0.00 -0.16 0.00 0.00 57.16 56.75 1vnd n GLU 38 Cb 0.33 -1.42 -0.14 0.00 1.43 0.00 0.00 31.44 31.63 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 0.26 0.00 3.44 2.43 -1.51 -3.05 114.38 115.95 1vnd h ARG 39 Ca -0.21 -0.44 -0.01 0.00 -0.81 0.00 0.00 59.98 58.51 1vnd h ARG 39 Cb 1.37 0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 31.09 1vnd h ARG 39 CO 0.01 1.16 -0.34 0.93 -1.51 0.00 0.00 179.97 180.22 1vnd h GLU 40 N 0.07 0.00 0.00 0.20 4.39 -1.78 -3.08 114.58 114.39 1vnd h GLU 40 Ca -0.19 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.35 1vnd h GLU 40 Cb 1.99 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.62 1vnd h GLU 40 CO 0.18 0.04 -0.77 1.25 -1.16 0.00 0.00 179.01 178.56 1vnd h HIS 41 N 0.00 0.00 -0.22 4.33 2.76 -1.74 -2.71 115.15 117.57 1vnd h HIS 41 Ca -0.00 0.00 -0.19 0.00 -2.20 0.00 0.00 60.37 57.98 1vnd h HIS 41 Cb 1.04 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.00 1vnd h HIS 41 CO 0.00 0.77 -0.62 1.25 -1.30 0.00 0.00 177.93 178.03 1vnd h LEU 42 N 0.00 0.85 -0.56 0.26 7.12 -1.55 -2.72 115.31 118.71 1vnd h LEU 42 Ca -0.01 -0.49 -0.13 0.00 0.13 0.00 0.00 57.88 57.38 1vnd h LEU 42 Cb 1.51 -0.25 -0.02 0.00 -0.53 0.00 0.00 40.66 41.37 1vnd h LEU 42 CO 0.10 1.27 -0.64 0.00 -0.13 0.00 0.00 178.44 179.04 1vnd h ALA 43 N 0.74 0.81 0.00 1.25 0.00 -1.54 -2.22 119.26 118.30 1vnd h ALA 43 Ca -0.01 -0.58 -0.23 0.00 0.00 0.00 0.00 54.91 54.09 1vnd h ALA 43 Cb 1.22 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 1vnd h ALA 43 CO 0.13 0.80 -1.30 0.77 0.00 0.00 0.00 179.25 179.64 1vnd h SER 44 N 0.00 0.00 0.21 0.00 0.02 -1.58 -0.64 113.55 111.55 1vnd h SER 44 Ca -0.01 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.72 1vnd h SER 44 Cb 1.23 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.77 1vnd h SER 44 CO 0.08 0.93 -0.90 0.25 -1.14 0.00 0.00 176.83 176.06 1vnd h LEU 45 N 0.00 0.64 0.00 5.07 7.12 -1.49 -3.36 115.31 123.29 1vnd h LEU 45 Ca -0.14 -0.48 0.00 0.00 0.13 0.00 0.00 57.88 57.39 1vnd h LEU 45 Cb 1.84 -0.19 0.00 0.00 -0.53 0.00 0.00 40.66 41.77 1vnd h LEU 45 CO 0.10 1.27 -1.77 2.30 -0.13 0.00 0.00 178.44 180.20 1vnd n ILE 46 N -3.81 0.00 -1.26 4.05 -5.35 -0.84 -5.06 119.36 107.10 1vnd n ILE 46 Ca -0.07 -0.40 0.00 0.00 -0.27 0.00 0.00 62.75 62.01 1vnd n ILE 46 Cb 0.81 0.15 0.00 0.00 -1.74 0.00 0.00 39.64 38.85 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 -2.09 0.00 -2.00 6.28 3.00 -0.96 -4.98 116.66 115.90 1vnd n ARG 47 Ca -0.03 0.29 -0.01 0.00 -0.00 0.00 0.00 57.85 58.10 1vnd n ARG 47 Cb 0.47 -1.26 -0.00 0.00 0.00 0.00 0.00 32.46 31.67 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 -0.97 0.00 -4.72 6.15 4.77 -0.29 -5.04 117.00 116.91 1vnd n LEU 48 Ca 0.00 -0.11 -0.24 0.00 -0.03 0.00 0.00 56.01 55.63 1vnd n LEU 48 Cb 0.42 0.07 -0.06 0.00 -2.33 0.00 0.00 43.42 41.51 1vnd n LEU 48 CO 0.00 -0.02 -0.27 0.42 -1.33 0.00 0.00 177.39 176.19 1vnd s THR 49 N -2.12 3.90 0.33 -5.08 -4.23 -1.26 -4.62 115.64 102.57 1vnd s THR 49 Ca 0.01 -1.58 0.24 0.00 -1.18 0.00 0.00 61.69 59.18 1vnd s THR 49 Cb 0.00 -3.06 0.25 0.00 1.34 0.00 0.00 72.50 71.03 1vnd s THR 49 CO 0.01 -0.29 1.97 -0.65 -0.54 0.00 0.00 174.62 175.12 1vnd h PRO 50 N 1.97 0.00 0.00 3.99 0.11 -1.96 -3.08 132.00 133.03 1vnd h PRO 50 Ca -0.46 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.46 1vnd h PRO 50 Cb 1.23 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 1vnd h PRO 50 CO 0.60 0.19 -1.27 0.00 -0.21 0.00 0.00 178.00 177.31 1vnd h THR 51 N 0.00 0.76 0.08 -1.15 1.03 -1.98 -2.90 112.91 108.73 1vnd h THR 51 Ca -0.00 -2.32 -0.29 0.00 -0.01 0.00 0.00 66.41 63.79 1vnd h THR 51 Cb 0.49 2.26 -0.02 0.00 -1.07 0.00 0.00 68.15 69.82 1vnd h THR 51 CO 0.02 0.43 -1.47 0.06 -0.01 0.00 0.00 175.52 174.55 1vnd h GLN 52 N 0.00 0.16 -0.37 0.00 3.07 -1.98 -2.97 115.11 113.02 1vnd h GLN 52 Ca -0.14 -0.27 -0.11 0.00 0.09 0.00 0.00 58.65 58.21 1vnd h GLN 52 Cb 1.65 0.10 -0.01 0.00 0.08 0.00 0.00 27.48 29.30 1vnd h GLN 52 CO 0.06 0.99 -0.22 -0.24 0.09 0.00 0.00 178.83 179.52 1vnd h VAL 53 N 0.04 1.27 -0.07 1.86 3.04 -1.68 -2.64 116.25 118.08 1vnd h VAL 53 Ca -0.21 -1.31 0.04 0.00 -1.01 0.00 0.00 66.70 64.21 1vnd h VAL 53 Cb 1.97 1.22 -0.06 0.00 -2.01 0.00 0.00 31.29 32.41 1vnd h VAL 53 CO 0.14 0.43 -0.41 0.50 -1.01 0.00 0.00 177.57 177.23 1vnd h LYS 54 N 0.63 -0.50 -0.00 4.17 3.11 -1.59 -2.97 116.57 119.41 1vnd h LYS 54 Ca 0.09 0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.96 1vnd h LYS 54 Cb 0.71 0.11 0.00 0.00 -1.00 0.00 0.00 32.23 32.05 1vnd h LYS 54 CO 0.05 -0.33 -0.18 -0.89 -2.81 0.00 0.00 179.45 175.29 1vnd n ILE 55 N -5.44 0.00 0.00 2.00 5.41 -1.12 -2.23 119.36 117.98 1vnd n ILE 55 Ca -0.05 -0.02 -0.18 0.00 1.00 0.00 0.00 62.75 63.51 1vnd n ILE 55 Cb 0.36 -0.17 -0.10 0.00 -0.71 0.00 0.00 39.64 39.02 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 0.16 0.70 0.00 1.39 7.01 -1.47 -3.17 115.95 120.58 1vnd h TRP 56 Ca 0.00 -0.37 0.00 0.00 2.11 0.00 0.00 58.89 60.63 1vnd h TRP 56 Cb 0.45 -0.08 0.00 0.00 -2.10 0.00 0.00 29.16 27.43 1vnd h TRP 56 CO 0.00 1.18 -0.14 1.19 -2.79 0.00 0.00 178.44 177.88 1vnd n PHE 57 N -4.16 0.50 0.05 2.65 3.72 -1.13 -2.23 117.46 116.87 1vnd n PHE 57 Ca -0.10 0.15 -0.20 0.00 -0.05 0.00 0.00 57.45 57.25 1vnd n PHE 57 Cb 0.69 -0.70 -0.13 0.00 -0.94 0.00 0.00 39.48 38.41 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 0.46 0.00 -1.08 4.15 -1.57 -3.32 115.11 113.76 1vnd h GLN 58 Ca 0.00 -0.60 -0.00 0.00 0.77 0.00 0.00 58.65 58.82 1vnd h GLN 58 Cb 0.64 0.20 -0.00 0.00 0.21 0.00 0.00 27.48 28.53 1vnd h GLN 58 CO 0.00 1.24 -0.78 -0.91 -1.93 0.00 0.00 178.83 176.46 1vnd h ASN 59 N -0.04 0.00 0.98 -0.69 2.35 -1.57 -3.35 115.58 113.26 1vnd h ASN 59 Ca -0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 1vnd h ASN 59 Cb 1.62 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.99 1vnd h ASN 59 CO 0.17 0.01 -0.54 0.45 -1.65 0.00 0.00 177.43 175.87 1vnd h HIS 60 N 0.00 0.00 -0.95 1.19 3.86 -1.62 -2.81 115.15 114.83 1vnd h HIS 60 Ca -0.00 0.00 -0.51 0.00 -1.16 0.00 0.00 60.37 58.70 1vnd h HIS 60 Cb 1.01 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 29.33 1vnd h HIS 60 CO 0.00 0.00 0.69 2.89 0.86 0.00 0.00 177.93 182.37 1vnd n ARG 61 N -2.18 2.74 0.00 2.45 1.85 -1.25 -3.61 116.66 116.66 1vnd n ARG 61 Ca 0.03 -2.38 0.00 0.00 -1.00 0.00 0.00 57.85 54.51 1vnd n ARG 61 Cb 0.45 -2.22 0.00 0.00 -1.05 0.00 0.00 32.46 29.64 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 1.24 0.00 -3.73 2.89 4.19 -1.21 -5.03 117.16 115.51 1vnd n TYR 62 Ca 0.51 0.00 -0.28 0.00 3.31 0.00 0.00 57.90 61.44 1vnd n TYR 62 Cb 0.54 0.00 -0.12 0.00 0.49 0.00 0.00 39.34 40.25 1vnd n TYR 62 CO 0.00 0.00 0.00 0.21 0.91 0.00 0.00 176.86 177.98 1vnd s LYS 63 N 0.00 1.82 0.55 2.98 2.47 -1.06 -5.09 119.74 121.41 1vnd s LYS 63 Ca 0.00 -2.76 0.41 0.00 -1.56 0.00 0.00 55.97 52.05 1vnd s LYS 63 Cb 0.00 -2.68 1.60 0.00 -1.46 0.00 0.00 37.83 35.29 1vnd s LYS 63 CO 0.00 -1.29 1.74 1.15 0.16 0.00 0.00 175.35 177.11 1vnd h THR 64 N 4.64 0.29 0.00 3.43 2.02 -1.83 -3.39 112.91 118.07 1vnd h THR 64 Ca 0.15 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.33 1vnd h THR 64 Cb 0.83 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1vnd h THR 64 CO 0.58 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.76 1vnd n LYS 65 N -4.10 0.00 -3.25 6.66 4.76 -1.26 -5.03 118.16 115.94 1vnd n LYS 65 Ca 0.31 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.53 1vnd n LYS 65 Cb 1.46 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 34.58 1vnd n LYS 65 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1vnd s ARG 66 N 1.86 0.91 0.00 1.97 1.81 -1.26 -5.11 118.95 119.13 1vnd s ARG 66 Ca 0.00 -1.77 0.00 0.00 -1.72 0.00 0.00 55.73 52.24 1vnd s ARG 66 Cb 0.00 -1.05 0.00 0.00 -0.45 0.00 0.00 34.95 33.45 1vnd s ARG 66 CO 0.00 -1.36 0.00 0.00 -0.68 0.00 0.00 175.30 173.26 1vnd n ALA 67 N 3.00 0.00 -2.82 2.13 0.00 -1.26 -5.05 120.51 116.51 1vnd n ALA 67 Ca 0.25 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.33 1vnd n ALA 67 Cb 0.49 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.87 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 0.00 3.33 -0.45 0.00 -0.21 -1.26 -5.17 119.66 115.89 1vnd s GLN 68 Ca 0.00 -0.22 0.07 0.00 0.02 0.00 0.00 55.36 55.23 1vnd s GLN 68 Cb 0.00 -3.08 0.18 0.00 1.00 0.00 0.00 33.01 31.12 1vnd s GLN 68 CO 0.00 0.74 0.69 1.21 -2.12 0.00 0.00 175.29 175.80 1vnd s ASN 69 N -0.93 -1.46 0.00 5.90 2.47 -1.26 -5.00 114.94 114.66 1vnd s ASN 69 Ca 0.14 -1.16 0.00 0.00 0.42 0.00 0.00 52.86 52.26 1vnd s ASN 69 Cb -0.12 1.89 0.00 0.00 -1.45 0.00 0.00 41.25 41.57 1vnd s ASN 69 CO 0.03 -0.12 0.00 -1.84 -3.72 0.00 0.00 177.10 171.46 1vnd n GLU 70 N 3.77 0.00 0.00 0.43 -0.00 -1.26 -5.00 120.64 118.58 1vnd n GLU 70 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.30 1vnd n GLU 70 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 32.01 1vnd n GLU 70 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1vnd n LYS 71 N 0.00 0.00 -2.54 3.44 5.02 -1.26 -4.90 118.16 117.92 1vnd n LYS 71 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 1vnd n LYS 71 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.04 1vnd n LYS 71 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vnd n GLY 72 N 0.00 3.48 0.13 0.72 0.00 -1.26 -4.94 105.19 103.32 1vnd n GLY 72 Ca 0.00 -1.72 0.10 0.00 0.00 0.00 0.00 46.02 44.40 1vnd n GLY 72 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1vnd h TYR 73 N 2.54 0.00 -2.44 1.61 0.05 -1.96 -3.37 116.97 113.40 1vnd h TYR 73 Ca 0.06 0.00 -0.72 0.00 0.05 0.00 0.00 58.73 58.11 1vnd h TYR 73 Cb 1.31 0.00 -0.33 0.00 1.01 0.00 0.00 36.73 38.71 1vnd h TYR 73 CO 0.63 0.10 0.28 0.39 -1.05 0.00 0.00 178.16 178.51 1vnd n GLU 74 N -2.77 4.13 -3.62 4.88 -0.58 -1.26 -4.95 120.64 116.46 1vnd n GLU 74 Ca -0.01 -4.68 -0.07 0.00 -0.42 0.00 0.00 57.16 51.98 1vnd n GLU 74 Cb 0.59 -2.39 -0.06 0.00 -0.57 0.00 0.00 31.44 29.01 1vnd n GLU 74 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1vnd s GLY 75 N -2.16 -0.03 -0.22 0.62 0.00 -1.26 -5.10 107.32 99.16 1vnd s GLY 75 Ca 0.39 2.72 -0.05 0.00 0.00 0.00 0.00 44.72 47.78 1vnd s GLY 75 CO -0.04 1.53 -0.06 1.57 0.00 0.00 0.00 173.10 176.10 1vnd n HIS 76 N 1.41 0.41 0.90 1.90 -0.00 -1.26 -5.09 115.22 113.49 1vnd n HIS 76 Ca -0.10 0.11 0.07 0.00 0.46 0.00 0.00 57.72 58.26 1vnd n HIS 76 Cb 0.57 -1.05 0.43 0.00 -0.12 0.00 0.00 29.99 29.82 1vnd n HIS 76 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50