#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 1.90 0.00 0.00 2.88 -1.26 -5.08 113.62 112.06 1vnd n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1vnd n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1vnd n SER 2 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1vnd n ASP 3 N 0.00 0.00 -4.24 -3.46 5.75 -1.26 -4.98 116.55 108.36 1vnd n ASP 3 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 54.79 54.35 1vnd n ASP 3 Cb 0.00 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.04 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 -0.89 2.57 0.28 6.12 0.00 -1.26 -4.99 107.32 109.14 1vnd s GLY 4 Ca 0.00 -3.25 -0.21 0.00 0.00 0.00 0.00 44.72 41.27 1vnd s GLY 4 CO 0.00 1.20 0.79 0.48 0.00 0.00 0.00 173.10 175.56 1vnd s LEU 5 N 0.18 -0.18 -0.59 0.66 0.05 -1.26 -5.11 118.68 112.42 1vnd s LEU 5 Ca 0.17 -0.69 -0.28 0.00 0.05 0.00 0.00 54.13 53.37 1vnd s LEU 5 Cb -0.15 2.64 0.03 0.00 -2.05 0.00 0.00 46.19 46.66 1vnd s LEU 5 CO -0.06 -1.34 1.21 -2.16 -0.55 0.00 0.00 176.35 173.44 1vnd s PRO 6 N -3.41 3.48 -0.12 1.48 0.04 -1.26 -4.90 135.00 130.31 1vnd s PRO 6 Ca 0.13 0.21 -0.10 0.00 0.04 0.00 0.00 61.00 61.28 1vnd s PRO 6 Cb -0.05 -4.03 -0.26 0.00 0.04 0.00 0.00 34.50 30.20 1vnd s PRO 6 CO 0.07 -1.73 0.41 -0.97 0.04 0.00 0.00 177.00 174.82 1vnd h ASN 7 N 9.62 0.40 -3.35 6.66 -1.24 -1.99 -3.42 115.58 122.26 1vnd h ASN 7 Ca -0.25 -0.89 -0.67 0.00 0.71 0.00 0.00 56.30 55.19 1vnd h ASN 7 Cb 1.06 -0.13 -0.16 0.00 0.73 0.00 0.00 38.32 39.81 1vnd h ASN 7 CO 1.20 1.79 -0.63 -0.75 -1.29 0.00 0.00 177.43 177.74 1vnd s LYS 8 N -2.53 3.14 2.04 6.67 2.47 -1.26 -4.88 119.74 125.39 1vnd s LYS 8 Ca -0.22 -0.43 0.00 0.00 -1.56 0.00 0.00 55.97 53.76 1vnd s LYS 8 Cb 0.06 -2.82 0.00 0.00 -1.46 0.00 0.00 37.83 33.61 1vnd s LYS 8 CO 0.76 0.60 0.00 1.63 0.16 0.00 0.00 175.35 178.50 1vnd n LYS 9 N 2.46 0.00 -1.79 4.03 4.76 -1.26 -4.89 118.16 121.47 1vnd n LYS 9 Ca -0.18 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.24 1vnd n LYS 9 Cb 0.53 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.73 1vnd n LYS 9 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1vnd n ARG 10 N 0.00 -0.32 0.00 1.97 0.63 -1.26 -5.01 116.66 112.67 1vnd n ARG 10 Ca 0.00 0.08 0.00 0.00 -0.92 0.00 0.00 57.85 57.01 1vnd n ARG 10 Cb 0.00 -2.16 0.00 0.00 0.45 0.00 0.00 32.46 30.75 1vnd n ARG 10 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1vnd n LYS 11 N -1.56 2.62 -2.83 -0.14 5.02 -1.26 -5.03 118.16 114.98 1vnd n LYS 11 Ca -0.01 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.92 1vnd n LYS 11 Cb 0.51 -0.22 -0.07 0.00 -0.02 0.00 0.00 35.03 35.24 1vnd n LYS 11 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1vnd s ARG 12 N -0.39 4.43 0.63 1.97 3.03 -1.26 -4.08 118.95 123.29 1vnd s ARG 12 Ca 0.00 1.21 -0.08 0.00 2.03 0.00 0.00 55.73 58.89 1vnd s ARG 12 Cb 0.00 -2.60 0.01 0.00 -1.03 0.00 0.00 34.95 31.34 1vnd s ARG 12 CO 0.00 0.19 0.97 1.03 -1.13 0.00 0.00 175.30 176.36 1vnd s ARG 13 N -2.43 2.86 -0.07 3.89 1.81 -1.26 -5.09 118.95 118.66 1vnd s ARG 13 Ca 0.54 0.13 0.02 0.00 -1.72 0.00 0.00 55.73 54.70 1vnd s ARG 13 Cb -0.15 -2.19 -0.02 0.00 -0.45 0.00 0.00 34.95 32.14 1vnd s ARG 13 CO 0.20 -0.84 -0.13 0.14 -0.68 0.00 0.00 175.30 174.00 1vnd s VAL 14 N -3.12 3.18 -0.01 3.52 -7.23 -1.26 -4.93 120.40 110.54 1vnd s VAL 14 Ca 0.56 -0.67 0.01 0.00 -1.81 0.00 0.00 61.98 60.07 1vnd s VAL 14 Cb -0.11 -2.27 0.00 0.00 0.56 0.00 0.00 36.38 34.56 1vnd s VAL 14 CO 0.47 0.58 -0.03 -0.76 -0.31 0.00 0.00 175.10 175.05 1vnd s LEU 15 N -0.55 1.84 -0.37 1.32 2.01 -1.26 -5.12 118.68 116.54 1vnd s LEU 15 Ca 0.08 -0.06 -0.10 0.00 0.01 0.00 0.00 54.13 54.06 1vnd s LEU 15 Cb -0.12 -0.19 0.03 0.00 0.01 0.00 0.00 46.19 45.93 1vnd s LEU 15 CO 0.02 0.01 0.18 -0.36 1.01 0.00 0.00 176.35 177.21 1vnd s PHE 16 N 0.15 3.25 0.00 0.29 0.08 -1.26 -4.96 117.98 115.53 1vnd s PHE 16 Ca -0.01 -1.10 0.00 0.00 0.12 0.00 0.00 56.93 55.94 1vnd s PHE 16 Cb -0.04 -2.39 0.00 0.00 -0.57 0.00 0.00 43.02 40.02 1vnd s PHE 16 CO -0.00 -0.67 0.00 2.41 -0.10 0.00 0.00 175.22 176.85 1vnd n THR 17 N 4.94 0.00 0.99 0.64 -1.04 -1.26 -5.06 114.28 113.49 1vnd n THR 17 Ca -0.12 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.01 1vnd n THR 17 Cb 0.46 0.00 0.57 0.00 -1.82 0.00 0.00 70.33 69.54 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 0.00 0.15 0.09 -2.82 -0.00 -1.26 -2.83 118.16 111.48 1vnd n LYS 18 Ca 0.00 0.07 -0.13 0.00 -0.00 0.00 0.00 58.31 58.25 1vnd n LYS 18 Cb 0.00 -1.50 -0.08 0.00 -0.00 0.00 0.00 35.03 33.45 1vnd n LYS 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1vnd h ALA 19 N 2.99 0.29 0.02 0.58 0.00 -1.99 -3.24 119.26 117.91 1vnd h ALA 19 Ca 0.00 -0.80 -0.00 0.00 0.00 0.00 0.00 54.91 54.11 1vnd h ALA 19 Cb 0.35 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1vnd h ALA 19 CO 0.00 0.93 -0.01 1.96 0.00 0.00 0.00 179.25 182.14 1vnd h GLN 20 N 0.12 -0.02 -0.24 0.00 1.08 -1.89 -3.06 115.11 111.09 1vnd h GLN 20 Ca -0.09 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.05 1vnd h GLN 20 Cb 1.73 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 29.15 1vnd h GLN 20 CO 0.17 0.73 -0.11 1.79 -0.95 0.00 0.00 178.83 180.46 1vnd h THR 21 N -0.89 1.21 0.55 -0.54 1.35 -1.75 -3.04 112.91 109.79 1vnd h THR 21 Ca -0.00 -0.91 -0.03 0.00 -0.55 0.00 0.00 66.41 64.92 1vnd h THR 21 Cb 0.77 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1vnd h THR 21 CO 0.00 0.29 -0.27 0.22 -0.25 0.00 0.00 175.52 175.52 1vnd h TYR 22 N 0.37 -0.71 -0.14 4.73 3.20 -1.64 -3.00 116.97 119.79 1vnd h TYR 22 Ca 0.07 -0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.84 1vnd h TYR 22 Cb 0.43 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 1vnd h TYR 22 CO 0.01 -0.43 -0.30 0.93 -1.64 0.00 0.00 178.16 176.73 1vnd h GLU 23 N -0.75 0.27 -0.47 1.82 5.08 -1.58 -2.96 114.58 115.99 1vnd h GLU 23 Ca -0.08 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 58.06 1vnd h GLU 23 Cb 0.58 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1vnd h GLU 23 CO 0.12 0.55 -0.19 -0.07 -1.00 0.00 0.00 179.01 178.42 1vnd h LEU 24 N 0.24 0.96 -0.49 1.33 3.38 -1.65 -3.02 115.31 116.06 1vnd h LEU 24 Ca 0.03 -0.35 -0.15 0.00 0.09 0.00 0.00 57.88 57.50 1vnd h LEU 24 Cb 0.66 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1vnd h LEU 24 CO 0.05 1.13 -0.71 -0.33 0.09 0.00 0.00 178.44 178.67 1vnd h GLU 25 N 0.82 0.00 -0.00 1.13 4.39 -1.47 -2.32 114.58 117.14 1vnd h GLU 25 Ca 0.11 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 1vnd h GLU 25 Cb 0.75 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.40 1vnd h GLU 25 CO 0.06 0.71 -0.00 0.00 -1.16 0.00 0.00 179.01 178.62 1vnd h ARG 26 N 0.00 0.00 -0.03 2.33 3.08 -1.56 -3.14 114.38 115.06 1vnd h ARG 26 Ca -0.01 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1vnd h ARG 26 Cb 1.31 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.36 1vnd h ARG 26 CO 0.09 0.46 0.00 2.89 -1.07 0.00 0.00 179.97 182.34 1vnd n ARG 27 N -4.87 1.37 0.09 0.04 1.85 -1.14 -3.01 116.66 110.99 1vnd n ARG 27 Ca -0.08 -0.54 -0.15 0.00 -1.00 0.00 0.00 57.85 56.07 1vnd n ARG 27 Cb 0.24 -1.46 -0.10 0.00 -1.05 0.00 0.00 32.46 30.09 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 1.26 0.59 -0.08 2.89 3.57 -1.44 -2.35 116.94 121.38 1vnd h PHE 28 Ca 0.00 -0.38 -0.16 0.00 3.53 0.00 0.00 57.97 60.96 1vnd h PHE 28 Cb 0.27 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 1vnd h PHE 28 CO 0.01 1.24 -0.66 0.00 -2.23 0.00 0.00 178.31 176.67 1vnd h ARG 29 N 0.15 0.32 0.00 1.11 2.47 -1.49 -3.35 114.38 113.59 1vnd h ARG 29 Ca -0.12 -0.24 -0.20 0.00 -1.26 0.00 0.00 59.98 58.16 1vnd h ARG 29 Cb 1.80 0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 30.13 1vnd h ARG 29 CO 0.19 0.87 -1.61 0.94 0.56 0.00 0.00 179.97 180.92 1vnd n GLN 30 N -3.85 0.63 -3.81 0.04 -0.06 -1.17 -4.93 117.38 104.23 1vnd n GLN 30 Ca -0.03 0.19 -0.13 0.00 -2.00 0.00 0.00 57.00 55.03 1vnd n GLN 30 Cb 0.66 -1.76 -0.13 0.00 -4.06 0.00 0.00 30.24 24.95 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 -2.85 0.13 -0.96 3.69 -1.52 -0.88 -5.05 119.66 112.21 1vnd s GLN 31 Ca -0.04 0.21 -0.01 0.00 -1.95 0.00 0.00 55.36 53.57 1vnd s GLN 31 Cb 0.09 0.01 0.30 0.00 -0.22 0.00 0.00 33.01 33.19 1vnd s GLN 31 CO 0.82 -0.05 1.38 2.89 -0.25 0.00 0.00 175.29 180.08 1vnd n ARG 32 N 3.30 4.23 0.00 2.91 -4.01 -1.26 -4.01 116.66 117.82 1vnd n ARG 32 Ca -0.16 -4.62 0.00 0.00 -1.04 0.00 0.00 57.85 52.03 1vnd n ARG 32 Cb 0.57 -2.44 0.00 0.00 -3.04 0.00 0.00 32.46 27.56 1vnd n ARG 32 CO 0.00 0.00 0.00 0.98 -3.04 0.00 0.00 177.63 175.57 1vnd n TYR 33 N 0.86 0.00 -4.17 2.89 4.19 -1.26 -5.14 117.16 114.53 1vnd n TYR 33 Ca 0.31 0.00 -0.11 0.00 3.31 0.00 0.00 57.90 61.41 1vnd n TYR 33 Cb 0.34 0.00 -0.10 0.00 0.49 0.00 0.00 39.34 40.06 1vnd n TYR 33 CO 0.00 0.00 0.00 -0.51 0.91 0.00 0.00 176.86 177.26 1vnd s LEU 34 N 0.00 2.48 0.34 2.98 1.02 -1.26 -5.04 118.68 119.20 1vnd s LEU 34 Ca 0.00 -0.94 -0.16 0.00 0.02 0.00 0.00 54.13 53.05 1vnd s LEU 34 Cb 0.00 -0.13 -0.09 0.00 0.02 0.00 0.00 46.19 45.99 1vnd s LEU 34 CO 0.00 -0.41 0.78 -0.94 0.02 0.00 0.00 176.35 175.80 1vnd s SER 35 N -2.84 6.82 0.29 2.29 1.04 -1.26 -4.80 113.70 115.25 1vnd s SER 35 Ca 0.09 1.37 0.02 0.00 0.48 0.00 0.00 55.95 57.91 1vnd s SER 35 Cb 0.03 -2.41 0.56 0.00 0.10 0.00 0.00 66.02 64.30 1vnd s SER 35 CO -0.03 -0.23 1.87 0.00 0.98 0.00 0.00 173.24 175.83 1vnd h ALA 36 N 2.23 1.54 0.00 5.32 0.00 -2.00 -1.21 119.26 125.14 1vnd h ALA 36 Ca -0.48 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 1vnd h ALA 36 Cb 1.18 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1vnd h ALA 36 CO 0.64 0.26 -0.21 -1.35 0.00 0.00 0.00 179.25 178.60 1vnd h PRO 37 N 1.00 0.00 0.00 0.00 0.11 -2.00 -3.01 132.00 128.09 1vnd h PRO 37 Ca 0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.56 1vnd h PRO 37 Cb 0.39 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.50 1vnd h PRO 37 CO -0.21 0.21 -1.40 -0.85 -0.21 0.00 0.00 178.00 175.53 1vnd n GLU 38 N -3.76 0.29 0.06 1.05 0.28 -1.01 -4.16 120.64 113.39 1vnd n GLU 38 Ca -0.02 -0.08 -0.23 0.00 -0.16 0.00 0.00 57.16 56.68 1vnd n GLU 38 Cb 0.31 -1.51 -0.15 0.00 1.43 0.00 0.00 31.44 31.52 1vnd n GLU 38 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 177.13 177.04 1vnd h ARG 39 N 0.00 0.37 0.00 3.44 0.11 -1.16 -2.98 114.38 114.17 1vnd h ARG 39 Ca 0.00 -0.63 -0.14 0.00 0.10 0.00 0.00 59.98 59.31 1vnd h ARG 39 Cb 0.72 0.24 -0.02 0.00 1.11 0.00 0.00 29.97 32.01 1vnd h ARG 39 CO 0.00 1.30 -0.65 0.93 0.10 0.00 0.00 179.97 181.65 1vnd h GLU 40 N 0.05 0.00 0.00 0.08 4.39 -1.79 -3.04 114.58 114.27 1vnd h GLU 40 Ca -0.35 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.23 1vnd h GLU 40 Cb 2.05 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.68 1vnd h GLU 40 CO 0.16 0.65 -0.85 1.25 -1.16 0.00 0.00 179.01 179.06 1vnd h HIS 41 N 0.00 0.00 -0.01 4.33 2.76 -1.72 -2.64 115.15 117.86 1vnd h HIS 41 Ca -0.01 0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 57.99 1vnd h HIS 41 Cb 1.36 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.30 1vnd h HIS 41 CO 0.00 0.51 -0.78 1.25 -1.30 0.00 0.00 177.93 177.62 1vnd h LEU 42 N 0.00 0.17 -0.50 0.26 7.12 -1.56 -1.59 115.31 119.21 1vnd h LEU 42 Ca -0.06 -0.12 -0.12 0.00 0.13 0.00 0.00 57.88 57.70 1vnd h LEU 42 Cb 1.45 -0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 41.51 1vnd h LEU 42 CO 0.06 0.88 -0.59 0.00 -0.13 0.00 0.00 178.44 178.65 1vnd h ALA 43 N 1.11 0.79 0.00 1.25 0.00 -1.52 -2.77 119.26 118.12 1vnd h ALA 43 Ca -0.02 -0.54 -0.19 0.00 0.00 0.00 0.00 54.91 54.16 1vnd h ALA 43 Cb 1.36 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 1vnd h ALA 43 CO 0.11 0.74 -1.13 0.77 0.00 0.00 0.00 179.25 179.74 1vnd h SER 44 N 0.00 0.00 -0.05 0.00 0.02 -1.49 -0.42 113.55 111.61 1vnd h SER 44 Ca -0.01 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.71 1vnd h SER 44 Cb 1.23 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.78 1vnd h SER 44 CO 0.08 0.74 -0.88 0.25 -1.14 0.00 0.00 176.83 175.89 1vnd h LEU 45 N 0.00 0.90 0.00 5.07 5.85 -1.31 -3.37 115.31 122.45 1vnd h LEU 45 Ca -0.11 -0.64 0.00 0.00 0.84 0.00 0.00 57.88 57.98 1vnd h LEU 45 Cb 1.66 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.42 1vnd h LEU 45 CO 0.08 1.43 -1.46 2.30 -0.34 0.00 0.00 178.44 180.45 1vnd n ILE 46 N -3.89 0.00 -0.92 4.05 -5.35 -1.05 -5.06 119.36 107.14 1vnd n ILE 46 Ca -0.08 -0.30 0.00 0.00 -0.27 0.00 0.00 62.75 62.09 1vnd n ILE 46 Cb 0.80 0.34 0.00 0.00 -1.74 0.00 0.00 39.64 39.04 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 -1.87 0.00 -2.81 6.28 3.00 -0.98 -4.98 116.66 115.30 1vnd n ARG 47 Ca -0.02 0.15 -0.07 0.00 -0.00 0.00 0.00 57.85 57.92 1vnd n ARG 47 Cb 0.36 -0.92 -0.03 0.00 0.00 0.00 0.00 32.46 31.87 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 -0.77 0.00 -4.84 6.15 4.77 -0.20 -4.73 117.00 117.38 1vnd n LEU 48 Ca 0.00 -1.13 -0.36 0.00 -0.03 0.00 0.00 56.01 54.50 1vnd n LEU 48 Cb 0.31 0.56 -0.06 0.00 -2.33 0.00 0.00 43.42 41.89 1vnd n LEU 48 CO 0.00 -0.18 0.22 0.42 -1.33 0.00 0.00 177.39 176.51 1vnd s THR 49 N -2.41 4.87 0.55 -5.08 -4.23 -1.26 -4.62 115.64 103.45 1vnd s THR 49 Ca 0.13 0.83 0.40 0.00 -1.18 0.00 0.00 61.69 61.87 1vnd s THR 49 Cb 0.01 -3.74 0.42 0.00 1.34 0.00 0.00 72.50 70.52 1vnd s THR 49 CO 0.09 0.29 2.27 -0.65 -0.54 0.00 0.00 174.62 176.09 1vnd h PRO 50 N 3.71 0.00 0.00 3.99 0.11 -1.94 -2.97 132.00 134.90 1vnd h PRO 50 Ca -0.49 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.43 1vnd h PRO 50 Cb 1.20 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 1vnd h PRO 50 CO 0.65 0.01 -1.22 0.00 -0.21 0.00 0.00 178.00 177.24 1vnd h THR 51 N 0.00 0.85 0.06 -1.15 1.03 -1.99 -3.02 112.91 108.69 1vnd h THR 51 Ca -0.00 -2.43 -0.25 0.00 -0.01 0.00 0.00 66.41 63.71 1vnd h THR 51 Cb 0.11 2.33 -0.02 0.00 -1.07 0.00 0.00 68.15 69.51 1vnd h THR 51 CO 0.00 0.49 -1.23 0.06 -0.01 0.00 0.00 175.52 174.83 1vnd h GLN 52 N 0.00 0.12 -0.28 0.00 3.07 -1.95 -3.01 115.11 113.07 1vnd h GLN 52 Ca -0.13 -0.21 -0.17 0.00 0.09 0.00 0.00 58.65 58.23 1vnd h GLN 52 Cb 1.67 0.08 -0.00 0.00 0.08 0.00 0.00 27.48 29.30 1vnd h GLN 52 CO 0.07 1.04 -0.49 -0.24 0.09 0.00 0.00 178.83 179.30 1vnd h VAL 53 N 0.03 1.29 -0.07 1.86 3.04 -1.66 -1.85 116.25 118.89 1vnd h VAL 53 Ca -0.11 -1.68 0.02 0.00 -1.01 0.00 0.00 66.70 63.91 1vnd h VAL 53 Cb 1.90 1.59 -0.02 0.00 -2.01 0.00 0.00 31.29 32.75 1vnd h VAL 53 CO 0.15 0.54 -0.06 0.50 -1.01 0.00 0.00 177.57 177.70 1vnd h LYS 54 N 0.60 -0.07 -0.00 4.17 3.11 -1.63 -2.98 116.57 119.76 1vnd h LYS 54 Ca 0.03 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.87 1vnd h LYS 54 Cb 1.06 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 32.31 1vnd h LYS 54 CO 0.10 -0.05 -0.05 -0.89 -2.81 0.00 0.00 179.45 175.76 1vnd n ILE 55 N -5.19 0.00 -0.01 2.00 5.41 -1.14 -2.87 119.36 117.57 1vnd n ILE 55 Ca -0.05 -0.08 -0.18 0.00 1.00 0.00 0.00 62.75 63.45 1vnd n ILE 55 Cb 0.11 -0.11 -0.09 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 0.75 0.86 0.00 1.39 7.01 -1.19 -2.70 115.95 122.06 1vnd h TRP 56 Ca 0.00 -0.41 0.00 0.00 2.11 0.00 0.00 58.89 60.59 1vnd h TRP 56 Cb 0.27 -0.12 0.00 0.00 -2.10 0.00 0.00 29.16 27.21 1vnd h TRP 56 CO 0.00 1.23 0.00 0.74 -2.79 0.00 0.00 178.44 177.62 1vnd h PHE 57 N 0.24 0.00 0.09 2.65 -1.00 -1.50 -1.86 116.94 115.57 1vnd h PHE 57 Ca -0.07 0.00 -0.26 0.00 2.81 0.00 0.00 57.97 60.45 1vnd h PHE 57 Cb 1.36 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.93 1vnd h PHE 57 CO 0.11 0.00 -1.15 0.37 -1.61 0.00 0.00 178.31 176.03 1vnd h GLN 58 N 0.00 0.37 0.00 1.51 4.15 -1.61 -3.39 115.11 116.14 1vnd h GLN 58 Ca 0.00 -0.52 -0.22 0.00 0.77 0.00 0.00 58.65 58.68 1vnd h GLN 58 Cb 0.79 0.18 -0.04 0.00 0.21 0.00 0.00 27.48 28.62 1vnd h GLN 58 CO 0.00 1.21 -1.86 0.09 -1.93 0.00 0.00 178.83 176.34 1vnd n ASN 59 N -3.64 0.44 -1.11 -0.69 3.02 -1.02 -4.40 115.26 107.85 1vnd n ASN 59 Ca -0.09 0.20 0.04 0.00 -0.03 0.00 0.00 54.58 54.70 1vnd n ASN 59 Cb 0.96 0.72 0.20 0.00 -0.61 0.00 0.00 39.78 41.05 1vnd n ASN 59 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1vnd n HIS 60 N -2.75 0.96 0.12 3.10 -0.00 -0.70 -2.44 115.22 113.50 1vnd n HIS 60 Ca -0.17 -0.35 0.06 0.00 0.46 0.00 0.00 57.72 57.72 1vnd n HIS 60 Cb 0.92 -0.25 0.02 0.00 -0.12 0.00 0.00 29.99 30.56 1vnd n HIS 60 CO 0.00 0.00 0.00 0.07 0.46 0.00 0.00 176.34 176.87 1vnd h ARG 61 N 2.09 0.00 -1.65 1.57 -0.00 -1.77 -3.41 114.38 111.22 1vnd h ARG 61 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 59.98 60.09 1vnd h ARG 61 Cb 1.11 0.00 -0.22 0.00 -0.00 0.00 0.00 29.97 30.86 1vnd h ARG 61 CO 0.20 0.21 0.04 1.52 -0.00 0.00 0.00 179.97 181.95 1vnd s TYR 62 N -3.11 -1.04 -0.63 4.08 1.13 -1.25 -4.79 117.35 111.75 1vnd s TYR 62 Ca 0.02 1.85 0.05 0.00 -1.41 0.00 0.00 57.07 57.57 1vnd s TYR 62 Cb 0.08 0.62 0.17 0.00 -1.10 0.00 0.00 41.96 41.73 1vnd s TYR 62 CO 0.76 -0.51 0.47 1.17 -2.51 0.00 0.00 175.55 174.93 1vnd n LYS 63 N 5.02 1.47 0.00 -3.49 3.00 -1.02 -5.00 118.16 118.13 1vnd n LYS 63 Ca -0.13 -4.17 0.06 0.00 -0.00 0.00 0.00 58.31 54.07 1vnd n LYS 63 Cb 0.52 -2.13 0.36 0.00 0.00 0.00 0.00 35.03 33.78 1vnd n LYS 63 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1vnd n THR 64 N 2.10 0.00 0.00 3.15 -1.04 -1.26 -4.78 114.28 112.45 1vnd n THR 64 Ca 0.23 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.24 1vnd n THR 64 Cb 0.39 -0.33 0.00 0.00 -1.82 0.00 0.00 70.33 68.57 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 -0.73 0.00 0.00 -2.82 4.01 -1.26 -5.08 118.16 112.28 1vnd n LYS 65 Ca 0.09 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.89 1vnd n LYS 65 Cb 0.04 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.56 1vnd n LYS 65 CO 0.00 0.00 0.00 2.89 -1.11 0.00 0.00 177.40 179.18 1vnd n ARG 66 N 0.00 0.00 -3.37 1.97 1.85 -1.26 -5.07 116.66 110.78 1vnd n ARG 66 Ca 0.00 0.00 -0.45 0.00 -1.00 0.00 0.00 57.85 56.40 1vnd n ARG 66 Cb 0.00 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 31.34 1vnd n ARG 66 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1vnd s ALA 67 N -1.03 3.58 -0.52 2.89 0.00 -1.26 -4.93 121.76 120.48 1vnd s ALA 67 Ca 0.00 -2.29 0.02 0.00 0.00 0.00 0.00 51.96 49.69 1vnd s ALA 67 Cb 0.00 -3.13 0.49 0.00 0.00 0.00 0.00 23.12 20.48 1vnd s ALA 67 CO 0.00 -1.84 1.79 1.04 0.00 0.00 0.00 175.76 176.75 1vnd n GLN 68 N 5.20 2.74 -2.83 0.00 6.02 -1.26 -4.17 117.38 123.09 1vnd n GLN 68 Ca -0.13 -3.43 -0.11 0.00 -0.01 0.00 0.00 57.00 53.32 1vnd n GLN 68 Cb 0.42 -2.23 0.06 0.00 1.02 0.00 0.00 30.24 29.51 1vnd n GLN 68 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1vnd n ASN 69 N -0.93 -0.97 0.00 1.08 5.15 -1.26 -5.09 115.26 113.25 1vnd n ASN 69 Ca 0.56 -3.15 0.00 0.00 -0.60 0.00 0.00 54.58 51.39 1vnd n ASN 69 Cb 0.90 0.78 0.00 0.00 -0.53 0.00 0.00 39.78 40.93 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 0.09 0.00 -3.56 1.20 0.00 -1.26 -4.61 120.64 112.50 1vnd n GLU 70 Ca 0.09 0.17 -0.37 0.00 0.00 0.00 0.00 57.16 57.06 1vnd n GLU 70 Cb 0.74 -0.89 -0.07 0.00 0.00 0.00 0.00 31.44 31.22 1vnd n GLU 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.13 175.54 1vnd s LYS 71 N -0.77 4.08 0.00 3.44 0.00 -1.26 -4.50 119.74 120.73 1vnd s LYS 71 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 55.97 56.13 1vnd s LYS 71 Cb 0.00 -3.35 0.00 0.00 0.00 0.00 0.00 37.83 34.48 1vnd s LYS 71 CO 0.00 0.40 0.00 0.41 0.00 0.00 0.00 175.35 176.16 1vnd n GLY 72 N 2.86 0.69 2.53 0.59 0.00 -1.26 -4.98 105.19 105.62 1vnd n GLY 72 Ca -0.13 -0.60 -0.14 0.00 0.00 0.00 0.00 46.02 45.15 1vnd n GLY 72 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1vnd n TYR 73 N -0.44 0.77 -2.72 1.61 4.19 -1.26 -4.78 117.16 114.52 1vnd n TYR 73 Ca 0.00 -1.40 -0.42 0.00 3.31 0.00 0.00 57.90 59.39 1vnd n TYR 73 Cb 0.18 -1.33 0.01 0.00 0.49 0.00 0.00 39.34 38.69 1vnd n TYR 73 CO 0.00 0.00 0.00 0.39 0.91 0.00 0.00 176.86 178.16 1vnd n GLU 74 N 3.79 4.48 -3.14 2.98 -0.58 -1.26 -4.72 120.64 122.18 1vnd n GLU 74 Ca 0.32 -4.28 0.05 0.00 -0.42 0.00 0.00 57.16 52.83 1vnd n GLU 74 Cb 0.22 -2.60 0.00 0.00 -0.57 0.00 0.00 31.44 28.49 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 -1.01 -1.02 -0.37 0.62 0.00 -1.26 -5.11 107.32 99.17 1vnd s GLY 75 Ca 0.36 1.85 0.04 0.00 0.00 0.00 0.00 44.72 46.97 1vnd s GLY 75 CO 0.03 4.03 0.09 0.30 0.00 0.00 0.00 173.10 177.55 1vnd s HIS 76 N 2.89 3.55 -2.00 1.90 3.76 -1.26 -5.17 115.29 118.96 1vnd s HIS 76 Ca 0.24 -2.97 0.25 0.00 -0.15 0.00 0.00 55.06 52.42 1vnd s HIS 76 Cb -0.03 -2.84 1.46 0.00 1.11 0.00 0.00 32.58 32.28 1vnd s HIS 76 CO -0.23 -0.91 1.82 -0.35 -0.85 0.00 0.00 174.74 174.22