#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 0.01 -3.63 0.00 7.64 -1.26 -5.02 113.62 111.35 1vnd n SER 2 Ca 0.00 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.73 1vnd n SER 2 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 1vnd n SER 2 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1vnd s ASP 3 N 1.01 -0.55 0.00 6.43 2.15 -1.26 -5.10 116.67 119.36 1vnd s ASP 3 Ca 0.00 0.80 0.00 0.00 0.43 0.00 0.00 52.55 53.78 1vnd s ASP 3 Cb 0.00 0.78 0.00 0.00 -0.30 0.00 0.00 42.92 43.40 1vnd s ASP 3 CO 0.00 -0.40 0.00 0.61 -0.17 0.00 0.00 175.17 175.21 1vnd n GLY 4 N 1.78 -0.91 0.92 2.66 0.00 -1.26 -4.67 105.19 103.72 1vnd n GLY 4 Ca -0.17 0.02 -0.02 0.00 0.00 0.00 0.00 46.02 45.86 1vnd n GLY 4 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1vnd n LEU 5 N 0.00 1.07 -4.62 0.99 4.77 -1.26 -4.98 117.00 112.97 1vnd n LEU 5 Ca 0.00 0.15 -0.43 0.00 -0.03 0.00 0.00 56.01 55.70 1vnd n LEU 5 Cb 0.00 -0.35 -0.02 0.00 -2.33 0.00 0.00 43.42 40.72 1vnd n LEU 5 CO 0.00 -0.57 0.93 -2.16 -1.33 0.00 0.00 177.39 174.26 1vnd s PRO 6 N -2.11 3.91 -1.11 3.23 0.04 -1.26 -4.96 135.00 132.75 1vnd s PRO 6 Ca -0.04 0.81 -0.05 0.00 0.04 0.00 0.00 61.00 61.75 1vnd s PRO 6 Cb 0.01 -3.80 0.29 0.00 0.04 0.00 0.00 34.50 31.03 1vnd s PRO 6 CO 0.06 -1.05 1.47 -1.71 0.04 0.00 0.00 177.00 175.80 1vnd n ASN 7 N 7.13 6.16 0.00 6.66 5.15 -1.26 -4.37 115.26 134.72 1vnd n ASN 7 Ca 0.11 -3.32 0.00 0.00 -0.60 0.00 0.00 54.58 50.76 1vnd n ASN 7 Cb 0.48 -1.31 0.00 0.00 -0.53 0.00 0.00 39.78 38.42 1vnd n ASN 7 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1vnd n LYS 8 N 1.84 1.53 -3.72 1.20 5.02 -1.26 -5.02 118.16 117.74 1vnd n LYS 8 Ca 0.27 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.43 1vnd n LYS 8 Cb 0.34 -0.75 -0.09 0.00 -0.02 0.00 0.00 35.03 34.51 1vnd n LYS 8 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1vnd s LYS 9 N -1.50 0.58 -0.58 1.97 2.20 -1.26 -4.97 119.74 116.18 1vnd s LYS 9 Ca 0.00 0.37 0.06 0.00 -0.36 0.00 0.00 55.97 56.04 1vnd s LYS 9 Cb 0.00 0.27 0.26 0.00 -1.51 0.00 0.00 37.83 36.85 1vnd s LYS 9 CO 0.00 -0.11 0.72 0.54 -0.36 0.00 0.00 175.35 176.14 1vnd n ARG 10 N 2.31 2.19 0.00 4.03 5.12 -1.26 -3.48 116.66 125.58 1vnd n ARG 10 Ca -0.16 -4.37 0.00 0.00 -1.93 0.00 0.00 57.85 51.39 1vnd n ARG 10 Cb 0.57 -2.04 0.00 0.00 -1.16 0.00 0.00 32.46 29.83 1vnd n ARG 10 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1vnd n LYS 11 N 0.86 0.00 -1.68 5.56 4.81 -1.26 -4.39 118.16 122.06 1vnd n LYS 11 Ca 0.28 0.00 -0.47 0.00 -0.87 0.00 0.00 58.31 57.25 1vnd n LYS 11 Cb 0.44 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.44 1vnd n LYS 11 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 1vnd n ARG 12 N 0.00 2.26 -2.93 1.64 1.85 -1.26 -4.22 116.66 114.00 1vnd n ARG 12 Ca 0.00 0.83 -0.19 0.00 -1.00 0.00 0.00 57.85 57.49 1vnd n ARG 12 Cb 0.00 -2.68 0.02 0.00 -1.05 0.00 0.00 32.46 28.75 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 3.79 2.78 -0.19 2.89 1.81 -1.26 -5.09 118.95 123.68 1vnd s ARG 13 Ca 0.91 -1.00 0.16 0.00 -1.72 0.00 0.00 55.73 54.08 1vnd s ARG 13 Cb -0.66 -2.66 0.75 0.00 -0.45 0.00 0.00 34.95 31.94 1vnd s ARG 13 CO 0.49 -0.39 1.67 0.28 -0.68 0.00 0.00 175.30 176.67 1vnd n VAL 14 N -2.02 2.39 -2.50 3.52 0.31 -1.26 -4.94 118.33 113.84 1vnd n VAL 14 Ca 0.07 -1.39 -0.41 0.00 -0.01 0.00 0.00 64.34 62.60 1vnd n VAL 14 Cb 0.59 -0.13 -0.03 0.00 -0.91 0.00 0.00 33.84 33.37 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 -2.44 3.29 0.09 7.52 1.43 -1.26 -4.63 118.68 122.67 1vnd s LEU 15 Ca 0.52 -0.11 0.03 0.00 -1.03 0.00 0.00 54.13 53.54 1vnd s LEU 15 Cb 0.38 -2.82 -0.04 0.00 0.03 0.00 0.00 46.19 43.74 1vnd s LEU 15 CO 0.18 -1.75 0.09 -0.36 0.23 0.00 0.00 176.35 174.74 1vnd s PHE 16 N 5.79 3.20 0.20 0.29 0.08 -1.26 -5.10 117.98 121.18 1vnd s PHE 16 Ca 0.42 0.08 0.02 0.00 0.12 0.00 0.00 56.93 57.57 1vnd s PHE 16 Cb -0.09 -1.62 0.02 0.00 -0.57 0.00 0.00 43.02 40.77 1vnd s PHE 16 CO 0.20 0.52 0.19 2.41 -0.10 0.00 0.00 175.22 178.44 1vnd n THR 17 N 0.38 0.00 1.30 0.64 -1.04 -1.26 -4.25 114.28 110.05 1vnd n THR 17 Ca -0.08 -0.78 0.03 0.00 -2.04 0.00 0.00 64.05 61.18 1vnd n THR 17 Cb 0.52 -0.45 0.09 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 -1.10 1.50 0.01 -2.82 4.76 -1.26 -2.43 118.16 116.83 1vnd n LYS 18 Ca 0.01 -0.73 -0.21 0.00 -2.87 0.00 0.00 58.31 54.51 1vnd n LYS 18 Cb 0.23 -1.19 -0.14 0.00 -1.84 0.00 0.00 35.03 32.09 1vnd n LYS 18 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1vnd h ALA 19 N 3.31 0.14 0.03 7.82 0.00 -1.99 -3.36 119.26 125.21 1vnd h ALA 19 Ca 0.00 -1.03 -0.12 0.00 0.00 0.00 0.00 54.91 53.76 1vnd h ALA 19 Cb 0.31 0.43 0.01 0.00 0.00 0.00 0.00 17.79 18.54 1vnd h ALA 19 CO 0.01 0.75 -0.49 1.96 0.00 0.00 0.00 179.25 181.48 1vnd h GLN 20 N -0.35 0.28 -0.25 0.00 1.08 -1.88 -3.03 115.11 110.97 1vnd h GLN 20 Ca -0.28 -0.34 -0.10 0.00 -1.45 0.00 0.00 58.65 56.48 1vnd h GLN 20 Cb 1.72 0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 29.24 1vnd h GLN 20 CO 0.06 1.07 -0.28 1.79 -0.95 0.00 0.00 178.83 180.52 1vnd h THR 21 N -0.35 1.27 0.60 -0.54 1.35 -1.75 -3.02 112.91 110.48 1vnd h THR 21 Ca -0.07 -1.32 -0.02 0.00 -0.55 0.00 0.00 66.41 64.45 1vnd h THR 21 Cb 1.26 1.39 -0.01 0.00 -1.73 0.00 0.00 68.15 69.07 1vnd h THR 21 CO 0.10 0.42 -0.37 0.22 -0.25 0.00 0.00 175.52 175.63 1vnd h TYR 22 N 0.42 -0.99 -0.43 4.73 3.20 -1.71 -3.00 116.97 119.19 1vnd h TYR 22 Ca 0.06 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.82 1vnd h TYR 22 Cb 0.70 0.35 -0.02 0.00 1.54 0.00 0.00 36.73 39.31 1vnd h TYR 22 CO 0.02 -0.57 -0.13 0.93 -1.64 0.00 0.00 178.16 176.77 1vnd h GLU 23 N -0.93 0.80 -0.41 1.82 4.39 -1.55 -2.87 114.58 115.83 1vnd h GLU 23 Ca -0.07 -0.28 -0.10 0.00 0.34 0.00 0.00 59.36 59.25 1vnd h GLU 23 Cb 0.75 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.33 1vnd h GLU 23 CO 0.07 0.89 -0.15 -0.07 -1.16 0.00 0.00 179.01 178.59 1vnd h LEU 24 N 0.71 0.76 -0.34 1.33 3.38 -1.62 -3.03 115.31 116.50 1vnd h LEU 24 Ca 0.12 -0.24 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 1vnd h LEU 24 Cb 0.63 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1vnd h LEU 24 CO 0.04 0.92 -0.60 -0.33 0.09 0.00 0.00 178.44 178.56 1vnd h GLU 25 N 0.68 0.00 -0.18 1.13 4.39 -1.51 -3.07 114.58 116.02 1vnd h GLU 25 Ca 0.11 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.74 1vnd h GLU 25 Cb 0.64 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.28 1vnd h GLU 25 CO 0.04 0.60 -0.16 0.00 -1.16 0.00 0.00 179.01 178.34 1vnd h ARG 26 N 0.00 0.42 0.00 2.33 3.08 -1.49 -3.09 114.38 115.63 1vnd h ARG 26 Ca -0.01 -0.22 -0.10 0.00 0.07 0.00 0.00 59.98 59.73 1vnd h ARG 26 Cb 1.31 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.36 1vnd h ARG 26 CO 0.08 0.77 -0.46 0.00 -1.07 0.00 0.00 179.97 179.30 1vnd h ARG 27 N 0.08 0.00 -0.29 0.04 2.47 -1.63 -3.21 114.38 111.84 1vnd h ARG 27 Ca 0.03 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.63 1vnd h ARG 27 Cb 0.69 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.00 1vnd h ARG 27 CO 0.04 0.46 -0.31 0.35 0.56 0.00 0.00 179.97 181.07 1vnd h PHE 28 N 0.00 0.70 0.00 3.04 3.57 -1.58 -2.32 116.94 120.34 1vnd h PHE 28 Ca -0.00 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 61.32 1vnd h PHE 28 Cb 0.92 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.49 1vnd h PHE 28 CO 0.00 0.84 0.00 0.54 -2.23 0.00 0.00 178.31 177.46 1vnd n ARG 29 N -4.08 0.26 -0.06 1.11 5.12 -1.17 -3.64 116.66 114.20 1vnd n ARG 29 Ca -0.01 0.23 -0.11 0.00 -1.93 0.00 0.00 57.85 56.03 1vnd n ARG 29 Cb 0.46 -1.82 -0.15 0.00 -1.16 0.00 0.00 32.46 29.80 1vnd n ARG 29 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1vnd n GLN 30 N -2.27 0.67 -3.55 5.56 1.13 -1.20 -5.06 117.38 112.66 1vnd n GLN 30 Ca 0.05 0.15 -0.10 0.00 -1.94 0.00 0.00 57.00 55.16 1vnd n GLN 30 Cb 0.42 -1.65 -0.04 0.00 0.11 0.00 0.00 30.24 29.08 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 -2.54 0.70 -0.20 -1.09 -2.07 -0.88 -5.08 119.66 108.50 1vnd s GLN 31 Ca -0.12 0.00 0.10 0.00 -1.82 0.00 0.00 55.36 53.53 1vnd s GLN 31 Cb 0.07 0.33 -0.19 0.00 -1.09 0.00 0.00 33.01 32.13 1vnd s GLN 31 CO 0.80 -0.25 -0.05 0.54 -1.32 0.00 0.00 175.29 175.01 1vnd n ARG 32 N 0.41 0.86 -5.22 9.60 5.12 -1.26 -3.76 116.66 122.41 1vnd n ARG 32 Ca -0.10 0.05 -0.30 0.00 -1.93 0.00 0.00 57.85 55.57 1vnd n ARG 32 Cb 0.59 -1.46 -0.16 0.00 -1.16 0.00 0.00 32.46 30.27 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 -2.45 2.23 -0.09 -1.55 1.51 -1.26 -4.96 117.35 110.78 1vnd s TYR 33 Ca -0.18 -0.47 -0.04 0.00 -1.01 0.00 0.00 57.07 55.37 1vnd s TYR 33 Cb 0.06 -1.44 0.05 0.00 -0.11 0.00 0.00 41.96 40.52 1vnd s TYR 33 CO 0.66 -0.07 0.18 -0.48 -1.11 0.00 0.00 175.55 174.73 1vnd s LEU 34 N -0.48 0.04 0.49 -1.29 -0.00 -1.26 -5.16 118.68 111.02 1vnd s LEU 34 Ca 0.07 0.39 -0.02 0.00 -0.00 0.00 0.00 54.13 54.57 1vnd s LEU 34 Cb -0.10 0.40 -0.00 0.00 -0.00 0.00 0.00 46.19 46.48 1vnd s LEU 34 CO -0.00 -0.22 0.75 -0.44 -0.00 0.00 0.00 176.35 176.44 1vnd s SER 35 N 2.07 5.79 0.44 1.48 0.01 -1.26 -4.63 113.70 117.60 1vnd s SER 35 Ca -0.00 0.47 0.26 0.00 1.31 0.00 0.00 55.95 57.99 1vnd s SER 35 Cb -0.12 -1.65 1.30 0.00 0.21 0.00 0.00 66.02 65.77 1vnd s SER 35 CO -0.06 -0.80 1.72 0.00 0.41 0.00 0.00 173.24 174.50 1vnd h ALA 36 N 0.21 2.59 -0.15 1.44 0.00 -2.02 -0.82 119.26 120.51 1vnd h ALA 36 Ca -0.46 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.43 1vnd h ALA 36 Cb 1.25 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1vnd h ALA 36 CO 0.59 -1.07 -0.28 -1.35 0.00 0.00 0.00 179.25 177.14 1vnd h PRO 37 N 0.22 0.29 0.00 0.00 0.11 -1.99 -2.99 132.00 127.63 1vnd h PRO 37 Ca 0.68 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 66.69 1vnd h PRO 37 Cb 2.06 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 33.15 1vnd h PRO 37 CO -0.29 0.55 -1.80 -0.85 -0.21 0.00 0.00 178.00 175.39 1vnd n GLU 38 N -4.13 0.60 0.11 1.05 0.28 -0.96 -4.19 120.64 113.39 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 0.39 -1.45 -0.15 0.00 1.43 0.00 0.00 31.44 31.66 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 -1.24 -3.02 114.38 116.43 1vnd h ARG 39 Ca 0.00 -0.75 -0.00 0.00 -0.81 0.00 0.00 59.98 58.41 1vnd h ARG 39 Cb 0.84 0.28 -0.00 0.00 -0.42 0.00 0.00 29.97 30.67 1vnd h ARG 39 CO 0.00 1.36 -0.16 0.93 -1.51 0.00 0.00 179.97 180.59 1vnd h GLU 40 N -0.08 0.00 0.00 0.20 4.39 -1.78 -3.00 114.58 114.31 1vnd h GLU 40 Ca -0.21 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.34 1vnd h GLU 40 Cb 1.95 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.57 1vnd h GLU 40 CO 0.22 0.02 -0.96 1.25 -1.16 0.00 0.00 179.01 178.38 1vnd h HIS 41 N 0.00 0.00 -0.01 4.33 2.76 -1.73 -2.47 115.15 118.03 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 1.01 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.96 1vnd h HIS 41 CO 0.00 0.61 -0.77 1.25 -1.30 0.00 0.00 177.93 177.72 1vnd h LEU 42 N 0.00 0.16 0.00 0.26 7.12 -1.52 -2.51 115.31 118.82 1vnd h LEU 42 Ca -0.08 -0.12 -0.13 0.00 0.13 0.00 0.00 57.88 57.68 1vnd h LEU 42 Cb 1.54 -0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 41.60 1vnd h LEU 42 CO 0.07 0.87 -0.76 0.00 -0.13 0.00 0.00 178.44 178.48 1vnd h ALA 43 N 1.12 0.63 0.00 1.25 0.00 -1.57 -2.80 119.26 117.90 1vnd h ALA 43 Ca -0.02 -0.60 -0.22 0.00 0.00 0.00 0.00 54.91 54.07 1vnd h ALA 43 Cb 1.35 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.10 1vnd h ALA 43 CO 0.11 0.77 -1.25 1.03 0.00 0.00 0.00 179.25 179.91 1vnd h SER 44 N 0.00 0.00 0.01 0.00 0.87 -1.50 0.13 113.55 113.06 1vnd h SER 44 Ca -0.04 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.29 1vnd h SER 44 Cb 1.48 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 63.46 1vnd h SER 44 CO 0.07 0.87 -0.90 0.25 -0.53 0.00 0.00 176.83 176.59 1vnd h LEU 45 N 0.00 0.77 0.00 2.23 7.12 -1.55 -3.36 115.31 120.52 1vnd h LEU 45 Ca -0.13 -0.76 0.00 0.00 0.13 0.00 0.00 57.88 57.13 1vnd h LEU 45 Cb 1.78 -0.24 0.00 0.00 -0.53 0.00 0.00 40.66 41.67 1vnd h LEU 45 CO 0.09 1.43 -1.37 2.30 -0.13 0.00 0.00 178.44 180.76 1vnd n ILE 46 N -3.99 0.04 -0.63 4.05 -5.35 -1.05 -5.03 119.36 107.40 1vnd n ILE 46 Ca -0.11 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.13 1vnd n ILE 46 Cb 0.82 0.45 0.00 0.00 -1.74 0.00 0.00 39.64 39.17 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 -1.89 0.00 -0.53 6.28 3.00 -0.87 -5.01 116.66 117.65 1vnd n ARG 47 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.86 1vnd n ARG 47 Cb 0.44 -0.76 0.00 0.00 0.00 0.00 0.00 32.46 32.14 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 -0.37 0.00 -4.79 6.15 4.77 0.40 -4.47 117.00 118.69 1vnd n LEU 48 Ca 0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.67 1vnd n LEU 48 Cb 0.17 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.19 1vnd n LEU 48 CO 0.00 0.00 -0.25 0.42 -1.33 0.00 0.00 177.39 176.23 1vnd s THR 49 N -0.18 4.66 0.57 -5.08 -4.23 -1.23 -4.33 115.64 105.82 1vnd s THR 49 Ca 0.00 -0.64 0.43 0.00 -1.18 0.00 0.00 61.69 60.30 1vnd s THR 49 Cb 0.00 -3.21 0.44 0.00 1.34 0.00 0.00 72.50 71.06 1vnd s THR 49 CO 0.00 0.19 2.31 -0.65 -0.54 0.00 0.00 174.62 175.92 1vnd h PRO 50 N 3.50 0.00 0.00 3.99 0.11 -1.87 -3.05 132.00 134.67 1vnd h PRO 50 Ca -0.47 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.37 1vnd h PRO 50 Cb 1.17 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.23 1vnd h PRO 50 CO 0.66 0.00 -1.55 0.00 -0.21 0.00 0.00 178.00 176.90 1vnd h THR 51 N 0.00 1.02 0.06 -1.15 1.03 -1.97 -2.95 112.91 108.94 1vnd h THR 51 Ca -0.00 -2.84 -0.26 0.00 -0.01 0.00 0.00 66.41 63.30 1vnd h THR 51 Cb 0.09 2.50 -0.02 0.00 -1.07 0.00 0.00 68.15 69.65 1vnd h THR 51 CO 0.00 0.58 -1.29 0.06 -0.01 0.00 0.00 175.52 174.86 1vnd h GLN 52 N 0.00 0.12 -0.39 0.00 3.07 -1.96 -2.98 115.11 112.97 1vnd h GLN 52 Ca -0.22 -0.20 -0.11 0.00 0.09 0.00 0.00 58.65 58.21 1vnd h GLN 52 Cb 1.95 0.07 -0.01 0.00 0.08 0.00 0.00 27.48 29.57 1vnd h GLN 52 CO 0.09 0.99 -0.18 -0.24 0.09 0.00 0.00 178.83 179.59 1vnd h VAL 53 N 0.03 1.28 -0.51 1.86 3.04 -1.69 -2.71 116.25 117.56 1vnd h VAL 53 Ca -0.14 -1.31 0.06 0.00 -1.01 0.00 0.00 66.70 64.31 1vnd h VAL 53 Cb 1.91 1.29 -0.05 0.00 -2.01 0.00 0.00 31.29 32.43 1vnd h VAL 53 CO 0.14 0.44 0.21 0.11 -1.01 0.00 0.00 177.57 177.46 1vnd h LYS 54 N 0.62 0.39 -0.00 4.17 1.79 -1.61 -2.95 116.57 118.98 1vnd h LYS 54 Ca 0.09 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 1vnd h LYS 54 Cb 0.73 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.29 1vnd h LYS 54 CO 0.05 0.26 -0.31 -0.89 -1.08 0.00 0.00 179.45 177.49 1vnd n ILE 55 N -4.96 0.00 -0.02 1.86 5.41 -1.13 -2.39 119.36 118.13 1vnd n ILE 55 Ca 0.05 -0.02 -0.17 0.00 1.00 0.00 0.00 62.75 63.61 1vnd n ILE 55 Cb 0.18 0.04 -0.08 0.00 -0.71 0.00 0.00 39.64 39.07 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 0.19 1.00 0.00 1.39 7.01 -1.40 -3.08 115.95 121.05 1vnd h TRP 56 Ca 0.00 -0.45 0.00 0.00 2.11 0.00 0.00 58.89 60.55 1vnd h TRP 56 Cb 0.48 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 27.39 1vnd h TRP 56 CO 0.00 1.28 -0.18 1.19 -2.79 0.00 0.00 178.44 177.93 1vnd n PHE 57 N -3.99 0.28 0.12 2.65 3.72 -1.12 -2.05 117.46 117.08 1vnd n PHE 57 Ca -0.08 0.08 -0.24 0.00 -0.05 0.00 0.00 57.45 57.16 1vnd n PHE 57 Cb 0.73 -0.57 -0.16 0.00 -0.94 0.00 0.00 39.48 38.55 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 0.50 0.00 -1.08 4.15 -1.58 -3.39 115.11 113.71 1vnd h GLN 58 Ca 0.00 -0.85 -0.23 0.00 0.77 0.00 0.00 58.65 58.34 1vnd h GLN 58 Cb 0.59 0.32 -0.04 0.00 0.21 0.00 0.00 27.48 28.55 1vnd h GLN 58 CO 0.00 1.41 -1.80 0.09 -1.93 0.00 0.00 178.83 176.60 1vnd n ASN 59 N -3.71 0.55 -0.16 -0.69 4.13 -1.16 -4.32 115.26 109.89 1vnd n ASN 59 Ca -0.19 0.25 0.14 0.00 1.68 0.00 0.00 54.58 56.45 1vnd n ASN 59 Cb 1.09 0.52 0.49 0.00 -1.54 0.00 0.00 39.78 40.33 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 -2.82 0.00 -2.63 3.10 -0.00 -0.87 -3.39 115.22 108.61 1vnd n HIS 60 Ca -0.17 0.00 -0.43 0.00 0.46 0.00 0.00 57.72 57.58 1vnd n HIS 60 Cb 0.95 -0.17 0.00 0.00 -0.12 0.00 0.00 29.99 30.65 1vnd n HIS 60 CO 0.00 0.00 0.00 2.89 0.46 0.00 0.00 176.34 179.69 1vnd n ARG 61 N -0.87 3.47 0.00 1.57 1.85 -1.26 -4.60 116.66 116.83 1vnd n ARG 61 Ca 0.13 -3.66 0.00 0.00 -1.00 0.00 0.00 57.85 53.31 1vnd n ARG 61 Cb 0.31 -3.00 0.00 0.00 -1.05 0.00 0.00 32.46 28.72 1vnd n ARG 61 CO 0.00 0.00 0.00 2.48 -0.01 0.00 0.00 177.63 180.10 1vnd n TYR 62 N 4.90 0.00 -1.55 2.89 4.11 -1.22 -4.98 117.16 121.31 1vnd n TYR 62 Ca 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.29 1vnd n TYR 62 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.74 1vnd n TYR 62 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 1vnd n LYS 63 N 0.00 -0.42 0.02 -3.48 4.01 -1.26 -4.94 118.16 112.09 1vnd n LYS 63 Ca 0.00 -0.21 -0.07 0.00 -0.51 0.00 0.00 58.31 57.53 1vnd n LYS 63 Cb 0.00 0.37 0.11 0.00 -0.51 0.00 0.00 35.03 35.00 1vnd n LYS 63 CO 0.00 0.00 0.00 1.15 -1.11 0.00 0.00 177.40 177.44 1vnd h THR 64 N 1.26 1.31 -1.17 -0.18 2.02 -1.97 -3.28 112.91 110.91 1vnd h THR 64 Ca 0.00 -1.66 -0.61 0.00 0.77 0.00 0.00 66.41 64.92 1vnd h THR 64 Cb 0.00 1.67 -0.16 0.00 -1.74 0.00 0.00 68.15 67.91 1vnd h THR 64 CO 0.00 0.51 1.16 0.29 0.37 0.00 0.00 175.52 177.85 1vnd n LYS 65 N -4.00 3.31 -3.54 6.66 4.76 -1.26 -4.91 118.16 119.17 1vnd n LYS 65 Ca -0.02 -2.86 -0.12 0.00 -2.87 0.00 0.00 58.31 52.43 1vnd n LYS 65 Cb 0.54 -2.33 -0.03 0.00 -1.84 0.00 0.00 35.03 31.37 1vnd n LYS 65 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1vnd n ARG 66 N 1.10 0.55 -3.37 1.97 0.63 -1.24 -5.11 116.66 111.18 1vnd n ARG 66 Ca 0.54 -2.30 -0.45 0.00 -0.92 0.00 0.00 57.85 54.72 1vnd n ARG 66 Cb 0.42 2.18 -0.07 0.00 0.45 0.00 0.00 32.46 35.45 1vnd n ARG 66 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1vnd s ALA 67 N -2.60 3.58 -0.72 5.13 0.00 -1.26 -5.03 121.76 120.85 1vnd s ALA 67 Ca 0.24 -2.21 -0.18 0.00 0.00 0.00 0.00 51.96 49.82 1vnd s ALA 67 Cb -0.01 -3.11 0.14 0.00 0.00 0.00 0.00 23.12 20.14 1vnd s ALA 67 CO 0.17 -1.79 0.80 -0.65 0.00 0.00 0.00 175.76 174.30 1vnd s GLN 68 N 1.63 3.30 -0.45 0.00 -0.21 -1.26 -4.87 119.66 117.79 1vnd s GLN 68 Ca 0.04 -1.71 0.09 0.00 0.02 0.00 0.00 55.36 53.80 1vnd s GLN 68 Cb -0.25 -4.45 0.32 0.00 1.00 0.00 0.00 33.01 29.62 1vnd s GLN 68 CO 0.06 -1.52 0.74 -1.71 -2.12 0.00 0.00 175.29 170.74 1vnd n ASN 69 N 5.77 1.92 -4.85 5.90 2.85 -1.26 -3.42 115.26 122.17 1vnd n ASN 69 Ca 0.03 -3.16 -0.34 0.00 -0.11 0.00 0.00 54.58 51.00 1vnd n ASN 69 Cb 0.45 -0.61 -0.06 0.00 1.24 0.00 0.00 39.78 40.80 1vnd n ASN 69 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 1vnd s GLU 70 N -2.45 3.92 -0.15 1.20 1.03 -1.26 -5.00 118.70 115.99 1vnd s GLU 70 Ca 0.41 0.41 -0.29 0.00 0.03 0.00 0.00 54.97 55.53 1vnd s GLU 70 Cb 0.28 -2.88 -0.05 0.00 -0.80 0.00 0.00 34.13 30.68 1vnd s GLU 70 CO -0.09 0.45 1.88 -1.59 -1.33 0.00 0.00 175.26 174.58 1vnd s LYS 71 N -2.13 3.70 0.00 -4.83 -2.85 -1.26 -3.73 119.74 108.64 1vnd s LYS 71 Ca 0.39 2.01 0.00 0.00 -1.00 0.00 0.00 55.97 57.38 1vnd s LYS 71 Cb -0.14 -4.16 0.00 0.00 -2.06 0.00 0.00 37.83 31.47 1vnd s LYS 71 CO 0.19 -1.43 0.00 0.41 0.10 0.00 0.00 175.35 174.62 1vnd n GLY 72 N 4.93 0.64 0.14 0.59 0.00 -1.26 -4.90 105.19 105.34 1vnd n GLY 72 Ca 0.22 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1vnd n GLY 72 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1vnd n TYR 73 N -1.12 0.00 -2.62 1.61 4.02 -1.24 -4.76 117.16 113.04 1vnd n TYR 73 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.47 1vnd n TYR 73 Cb 0.46 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.80 1vnd n TYR 73 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1vnd n GLU 74 N -1.68 4.94 0.00 -0.72 1.02 -1.22 -4.89 120.64 118.09 1vnd n GLU 74 Ca 0.00 -4.38 0.00 0.00 -0.02 0.00 0.00 57.16 52.76 1vnd n GLU 74 Cb 0.00 -2.54 0.00 0.00 -0.02 0.00 0.00 31.44 28.88 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 0.78 0.44 3.63 0.62 0.00 -1.26 -4.99 105.19 104.41 1vnd n GLY 75 Ca 0.43 -1.42 -0.23 0.00 0.00 0.00 0.00 46.02 44.80 1vnd n GLY 75 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1vnd s HIS 76 N 0.00 2.66 -2.00 1.61 3.76 -1.26 -4.19 115.29 115.87 1vnd s HIS 76 Ca 0.00 -0.24 0.19 0.00 -0.15 0.00 0.00 55.06 54.86 1vnd s HIS 76 Cb 0.00 -1.18 1.11 0.00 1.11 0.00 0.00 32.58 33.62 1vnd s HIS 76 CO 0.00 0.63 1.51 -0.35 -0.85 0.00 0.00 174.74 175.67