#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 0.06 -3.40 0.00 3.41 -1.26 -4.63 113.62 107.80 1vnd n SER 2 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.35 1vnd n SER 2 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 1vnd n SER 2 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1vnd s ASP 3 N -3.60 2.10 0.00 4.04 2.15 -1.26 -4.97 116.67 115.14 1vnd s ASP 3 Ca 0.00 -2.35 0.00 0.00 0.43 0.00 0.00 52.55 50.63 1vnd s ASP 3 Cb 0.00 -0.20 0.00 0.00 -0.30 0.00 0.00 42.92 42.42 1vnd s ASP 3 CO 0.00 -0.25 0.00 0.61 -0.17 0.00 0.00 175.17 175.36 1vnd n GLY 4 N 3.68 -0.57 2.96 2.66 0.00 -1.26 -5.07 105.19 107.59 1vnd n GLY 4 Ca 0.17 0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 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 4.65 0.11 0.99 1.43 -1.26 -4.31 118.68 120.30 1vnd s LEU 5 Ca 0.00 -3.32 -0.30 0.00 -1.03 0.00 0.00 54.13 49.48 1vnd s LEU 5 Cb 0.00 -1.68 -0.06 0.00 0.03 0.00 0.00 46.19 44.48 1vnd s LEU 5 CO 0.00 -0.19 0.97 -2.16 0.23 0.00 0.00 176.35 175.20 1vnd s PRO 6 N -0.72 4.69 -0.68 1.29 0.04 -1.13 -3.96 135.00 134.54 1vnd s PRO 6 Ca 0.20 1.48 0.03 0.00 0.04 0.00 0.00 61.00 62.75 1vnd s PRO 6 Cb -0.17 -3.37 0.35 0.00 0.04 0.00 0.00 34.50 31.34 1vnd s PRO 6 CO -0.06 0.20 1.22 0.09 0.04 0.00 0.00 177.00 178.48 1vnd n ASN 7 N 2.78 5.32 0.00 6.66 3.02 -1.26 -3.09 115.26 128.69 1vnd n ASN 7 Ca 0.02 -3.70 0.00 0.00 -0.03 0.00 0.00 54.58 50.87 1vnd n ASN 7 Cb 0.49 -0.71 0.00 0.00 -0.61 0.00 0.00 39.78 38.95 1vnd n ASN 7 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1vnd n LYS 8 N -0.25 0.32 0.00 3.52 2.85 -1.26 -5.01 118.16 118.33 1vnd n LYS 8 Ca 0.37 0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.63 1vnd n LYS 8 Cb 0.39 -0.03 -0.00 0.00 -0.65 0.00 0.00 35.03 34.74 1vnd n LYS 8 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1vnd n LYS 9 N 0.00 0.02 0.15 -1.58 4.81 -1.26 -4.92 118.16 115.38 1vnd n LYS 9 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 1vnd n LYS 9 Cb 0.00 -0.19 0.00 0.00 0.02 0.00 0.00 35.03 34.86 1vnd n LYS 9 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1vnd n ARG 10 N -2.71 0.00 0.00 1.64 3.00 -1.26 -5.15 116.66 112.19 1vnd n ARG 10 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1vnd n ARG 10 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.48 1vnd n ARG 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1vnd n LYS 11 N -3.19 0.00 -0.41 -0.14 4.81 -1.18 -4.94 118.16 113.12 1vnd n LYS 11 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1vnd n LYS 11 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1vnd n LYS 11 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1vnd n ARG 12 N 0.00 0.00 0.00 1.64 3.00 -1.26 -2.85 116.66 117.19 1vnd n ARG 12 Ca 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 57.85 57.85 1vnd n ARG 12 Cb 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 32.46 31.72 1vnd n ARG 12 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 1vnd n ARG 13 N -1.09 3.24 0.00 5.56 -4.01 -1.26 -5.08 116.66 114.02 1vnd n ARG 13 Ca 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 1vnd n ARG 13 Cb 0.10 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.52 1vnd n ARG 13 CO 0.00 0.00 0.00 1.33 -3.04 0.00 0.00 177.63 175.92 1vnd n VAL 14 N -0.07 0.00 -3.66 8.89 0.24 -1.26 -5.06 118.33 117.41 1vnd n VAL 14 Ca 0.00 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.15 1vnd n VAL 14 Cb 0.00 -0.32 -0.08 0.00 -1.47 0.00 0.00 33.84 31.97 1vnd n VAL 14 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1vnd s LEU 15 N 0.00 -0.01 0.11 1.34 1.43 -1.26 -5.21 118.68 115.08 1vnd s LEU 15 Ca 0.00 0.75 0.03 0.00 -1.03 0.00 0.00 54.13 53.89 1vnd s LEU 15 Cb 0.00 1.90 -0.04 0.00 0.03 0.00 0.00 46.19 48.09 1vnd s LEU 15 CO 0.00 -0.37 0.11 -0.36 0.23 0.00 0.00 176.35 175.97 1vnd s PHE 16 N -0.50 3.21 0.13 0.29 0.08 -1.26 -5.14 117.98 114.78 1vnd s PHE 16 Ca -0.06 0.06 0.01 0.00 0.12 0.00 0.00 56.93 57.06 1vnd s PHE 16 Cb -0.03 -1.60 0.01 0.00 -0.57 0.00 0.00 43.02 40.84 1vnd s PHE 16 CO 0.04 0.52 0.12 2.41 -0.10 0.00 0.00 175.22 178.22 1vnd n THR 17 N 0.15 0.00 1.47 0.64 -1.04 -1.26 -4.97 114.28 109.27 1vnd n THR 17 Ca -0.08 -0.49 0.06 0.00 -2.04 0.00 0.00 64.05 61.49 1vnd n THR 17 Cb 0.53 -0.54 0.22 0.00 -1.82 0.00 0.00 70.33 68.72 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 -0.95 1.42 -0.01 -2.82 -0.00 -1.26 -2.76 118.16 111.78 1vnd n LYS 18 Ca 0.01 -0.64 -0.21 0.00 -0.00 0.00 0.00 58.31 57.47 1vnd n LYS 18 Cb 0.14 -1.22 -0.14 0.00 -0.00 0.00 0.00 35.03 33.82 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 3.52 0.14 0.02 0.58 0.00 -1.99 -3.37 119.26 118.16 1vnd h ALA 19 Ca 0.00 -0.99 -0.06 0.00 0.00 0.00 0.00 54.91 53.86 1vnd h ALA 19 Cb 0.25 0.42 0.01 0.00 0.00 0.00 0.00 17.79 18.47 1vnd h ALA 19 CO 0.00 0.67 -0.23 1.96 0.00 0.00 0.00 179.25 181.65 1vnd h GLN 20 N -0.47 0.12 -0.48 0.00 1.08 -1.90 -3.02 115.11 110.44 1vnd h GLN 20 Ca -0.26 -0.16 -0.10 0.00 -1.45 0.00 0.00 58.65 56.68 1vnd h GLN 20 Cb 1.61 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 29.07 1vnd h GLN 20 CO 0.03 0.98 -0.10 1.79 -0.95 0.00 0.00 178.83 180.58 1vnd h THR 21 N -0.66 1.26 0.60 -0.54 1.35 -1.80 -3.04 112.91 110.09 1vnd h THR 21 Ca -0.04 -1.19 -0.02 0.00 -0.55 0.00 0.00 66.41 64.61 1vnd h THR 21 Cb 1.08 1.00 -0.00 0.00 -1.73 0.00 0.00 68.15 68.49 1vnd h THR 21 CO 0.05 0.41 -0.36 0.22 -0.25 0.00 0.00 175.52 175.59 1vnd h TYR 22 N 0.78 -0.95 -0.34 4.73 3.20 -1.73 -3.01 116.97 119.65 1vnd h TYR 22 Ca 0.13 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.88 1vnd h TYR 22 Cb 0.61 0.34 -0.01 0.00 1.54 0.00 0.00 36.73 39.20 1vnd h TYR 22 CO 0.03 -0.55 -0.25 0.93 -1.64 0.00 0.00 178.16 176.68 1vnd h GLU 23 N -0.91 0.68 -0.41 1.82 4.39 -1.57 -2.87 114.58 115.71 1vnd h GLU 23 Ca -0.07 -0.28 -0.11 0.00 0.34 0.00 0.00 59.36 59.24 1vnd h GLU 23 Cb 0.73 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.34 1vnd h GLU 23 CO 0.08 0.87 -0.19 -0.07 -1.16 0.00 0.00 179.01 178.54 1vnd h LEU 24 N 0.59 0.78 -0.38 1.33 3.38 -1.62 -3.02 115.31 116.38 1vnd h LEU 24 Ca 0.08 -0.27 -0.11 0.00 0.09 0.00 0.00 57.88 57.67 1vnd h LEU 24 Cb 0.74 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1vnd h LEU 24 CO 0.06 0.96 -0.54 -0.33 0.09 0.00 0.00 178.44 178.68 1vnd h GLU 25 N 0.69 0.00 -0.11 1.13 4.39 -1.51 -3.07 114.58 116.10 1vnd h GLU 25 Ca 0.10 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.74 1vnd h GLU 25 Cb 0.69 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1vnd h GLU 25 CO 0.05 0.54 -0.18 0.00 -1.16 0.00 0.00 179.01 178.25 1vnd h ARG 26 N 0.00 0.32 0.00 2.33 3.08 -1.52 -2.93 114.38 115.67 1vnd h ARG 26 Ca -0.01 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 59.82 1vnd h ARG 26 Cb 1.25 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.32 1vnd h ARG 26 CO 0.07 0.78 -0.14 0.00 -1.07 0.00 0.00 179.97 179.61 1vnd h ARG 27 N -0.10 0.00 -0.05 0.04 2.47 -1.62 -2.42 114.38 112.70 1vnd h ARG 27 Ca 0.01 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.55 1vnd h ARG 27 Cb 0.75 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.06 1vnd h ARG 27 CO 0.04 0.14 -0.73 0.35 0.56 0.00 0.00 179.97 180.34 1vnd h PHE 28 N 0.00 0.40 0.00 3.04 3.04 -1.61 -2.46 116.94 119.35 1vnd h PHE 28 Ca -0.00 -0.18 -0.12 0.00 3.98 0.00 0.00 57.97 61.64 1vnd h PHE 28 Cb 0.75 -0.06 -0.02 0.00 2.56 0.00 0.00 35.95 39.18 1vnd h PHE 28 CO 0.00 0.92 -0.59 0.00 -2.02 0.00 0.00 178.31 176.61 1vnd h ARG 29 N 0.20 0.00 0.00 1.11 2.47 -1.30 -3.34 114.38 113.52 1vnd h ARG 29 Ca -0.03 0.00 -0.28 0.00 -1.26 0.00 0.00 59.98 58.41 1vnd h ARG 29 Cb 1.29 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.56 1vnd h ARG 29 CO 0.12 0.59 -1.82 1.04 0.56 0.00 0.00 179.97 180.46 1vnd n GLN 30 N -3.70 0.64 -3.87 0.04 1.13 -0.93 -5.03 117.38 105.65 1vnd n GLN 30 Ca -0.01 0.21 -0.08 0.00 -1.94 0.00 0.00 57.00 55.18 1vnd n GLN 30 Cb 0.62 -1.73 -0.01 0.00 0.11 0.00 0.00 30.24 29.22 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 -2.64 1.87 -0.18 -1.09 -2.07 -0.92 -5.08 119.66 109.54 1vnd s GLN 31 Ca -0.06 -1.16 0.03 0.00 -1.82 0.00 0.00 55.36 52.35 1vnd s GLN 31 Cb 0.08 0.59 -0.13 0.00 -1.09 0.00 0.00 33.01 32.45 1vnd s GLN 31 CO 0.83 -0.85 -0.14 0.54 -1.32 0.00 0.00 175.29 174.35 1vnd n ARG 32 N -0.47 0.62 -4.47 9.60 5.12 -1.26 -3.94 116.66 121.87 1vnd n ARG 32 Ca -0.05 0.09 -0.20 0.00 -1.93 0.00 0.00 57.85 55.77 1vnd n ARG 32 Cb 0.60 -1.38 -0.14 0.00 -1.16 0.00 0.00 32.46 30.37 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 -2.38 1.11 -0.12 -1.55 1.51 -1.26 -5.01 117.35 109.64 1vnd s TYR 33 Ca -0.23 -0.26 -0.05 0.00 -1.01 0.00 0.00 57.07 55.53 1vnd s TYR 33 Cb 0.06 -0.70 0.06 0.00 -0.11 0.00 0.00 41.96 41.28 1vnd s TYR 33 CO 0.46 -0.00 0.25 -0.48 -1.11 0.00 0.00 175.55 174.67 1vnd s LEU 34 N -0.57 -0.26 0.39 -1.29 -0.00 -1.26 -5.16 118.68 110.52 1vnd s LEU 34 Ca 0.03 0.56 0.05 0.00 -0.00 0.00 0.00 54.13 54.77 1vnd s LEU 34 Cb -0.06 0.65 -0.00 0.00 -0.00 0.00 0.00 46.19 46.78 1vnd s LEU 34 CO 0.00 -0.24 0.56 -0.44 -0.00 0.00 0.00 176.35 176.23 1vnd s SER 35 N 2.39 5.84 0.42 1.48 0.01 -1.26 -4.64 113.70 117.94 1vnd s SER 35 Ca 0.01 -0.07 0.26 0.00 1.31 0.00 0.00 55.95 57.46 1vnd s SER 35 Cb -0.12 -1.22 1.35 0.00 0.21 0.00 0.00 66.02 66.24 1vnd s SER 35 CO -0.08 -0.60 1.64 0.00 0.41 0.00 0.00 173.24 174.61 1vnd h ALA 36 N 0.66 2.54 -0.15 1.44 0.00 -2.02 -0.87 119.26 120.86 1vnd h ALA 36 Ca -0.45 0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 1vnd h ALA 36 Cb 1.26 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 1vnd h ALA 36 CO 0.53 -1.17 -0.29 -1.35 0.00 0.00 0.00 179.25 176.97 1vnd h PRO 37 N 0.14 0.29 0.00 0.00 0.11 -1.99 -2.99 132.00 127.55 1vnd h PRO 37 Ca 0.79 -0.11 -0.01 0.00 0.11 0.00 0.00 66.00 66.78 1vnd h PRO 37 Cb 2.34 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 33.43 1vnd h PRO 37 CO -0.46 0.56 -1.87 -0.85 -0.21 0.00 0.00 178.00 175.18 1vnd n GLU 38 N -4.12 0.58 0.10 1.05 0.28 -0.92 -4.19 120.64 113.43 1vnd n GLU 38 Ca -0.01 -0.17 -0.23 0.00 -0.16 0.00 0.00 57.16 56.60 1vnd n GLU 38 Cb 0.40 -1.45 -0.15 0.00 1.43 0.00 0.00 31.44 31.67 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 0.43 0.00 3.44 2.43 -1.26 -3.03 114.38 116.39 1vnd h ARG 39 Ca -0.01 -0.74 -0.00 0.00 -0.81 0.00 0.00 59.98 58.41 1vnd h ARG 39 Cb 0.89 0.28 -0.00 0.00 -0.42 0.00 0.00 29.97 30.72 1vnd h ARG 39 CO 0.00 1.35 -0.09 0.93 -1.51 0.00 0.00 179.97 180.66 1vnd h GLU 40 N -0.09 0.00 0.00 0.20 4.39 -1.78 -2.99 114.58 114.32 1vnd h GLU 40 Ca -0.21 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.33 1vnd h GLU 40 Cb 1.94 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.56 1vnd h GLU 40 CO 0.22 0.01 -0.82 1.25 -1.16 0.00 0.00 179.01 178.51 1vnd h HIS 41 N 0.00 0.00 -0.01 4.33 2.76 -1.73 -2.59 115.15 117.91 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 1.01 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.95 1vnd h HIS 41 CO 0.00 0.77 -0.74 1.25 -1.30 0.00 0.00 177.93 177.90 1vnd h LEU 42 N 0.00 0.13 0.00 0.26 7.12 -1.49 -2.05 115.31 119.29 1vnd h LEU 42 Ca -0.02 -0.09 -0.15 0.00 0.13 0.00 0.00 57.88 57.75 1vnd h LEU 42 Cb 1.60 -0.04 -0.02 0.00 -0.53 0.00 0.00 40.66 41.67 1vnd h LEU 42 CO 0.10 0.83 -0.72 0.00 -0.13 0.00 0.00 178.44 178.51 1vnd h ALA 43 N 1.17 0.55 0.00 1.25 0.00 -1.55 -2.73 119.26 117.94 1vnd h ALA 43 Ca -0.02 -0.65 -0.16 0.00 0.00 0.00 0.00 54.91 54.08 1vnd h ALA 43 Cb 1.31 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 1vnd h ALA 43 CO 0.11 0.88 -1.05 0.77 0.00 0.00 0.00 179.25 179.96 1vnd h SER 44 N 0.00 0.00 -0.04 0.00 0.02 -1.51 0.04 113.55 112.06 1vnd h SER 44 Ca -0.01 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.70 1vnd h SER 44 Cb 1.55 0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.10 1vnd h SER 44 CO 0.09 0.63 -0.87 0.25 -1.14 0.00 0.00 176.83 175.79 1vnd h LEU 45 N 0.00 0.88 0.00 5.07 5.85 -1.42 -3.37 115.31 122.32 1vnd h LEU 45 Ca -0.09 -0.62 0.00 0.00 0.84 0.00 0.00 57.88 58.00 1vnd h LEU 45 Cb 1.56 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.33 1vnd h LEU 45 CO 0.07 1.42 -1.48 2.30 -0.34 0.00 0.00 178.44 180.40 1vnd n ILE 46 N -3.89 0.00 -0.91 4.05 -5.35 -1.03 -5.06 119.36 107.17 1vnd n ILE 46 Ca -0.08 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 62.09 1vnd n ILE 46 Cb 0.79 0.33 0.00 0.00 -1.74 0.00 0.00 39.64 39.03 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 -1.88 0.00 -1.52 6.28 3.00 -0.87 -4.99 116.66 116.68 1vnd n ARG 47 Ca -0.02 0.20 0.00 0.00 -0.00 0.00 0.00 57.85 58.03 1vnd n ARG 47 Cb 0.36 -0.91 0.00 0.00 0.00 0.00 0.00 32.46 31.91 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 -0.71 0.00 -4.89 6.15 4.77 -0.06 -5.04 117.00 117.23 1vnd n LEU 48 Ca 0.00 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.66 1vnd n LEU 48 Cb 0.30 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.35 1vnd n LEU 48 CO 0.00 0.00 -0.17 0.42 -1.33 0.00 0.00 177.39 176.31 1vnd s THR 49 N -1.52 5.26 0.65 -5.08 -4.23 -1.26 -4.70 115.64 104.75 1vnd s THR 49 Ca 0.00 -0.36 0.40 0.00 -1.18 0.00 0.00 61.69 60.56 1vnd s THR 49 Cb 0.00 -3.51 0.42 0.00 1.34 0.00 0.00 72.50 70.74 1vnd s THR 49 CO 0.00 0.22 2.31 -0.65 -0.54 0.00 0.00 174.62 175.96 1vnd h PRO 50 N 3.43 0.00 0.02 3.99 0.11 -1.96 -3.05 132.00 134.54 1vnd h PRO 50 Ca -0.47 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.36 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 -1.56 0.00 -0.21 0.00 0.00 178.00 176.94 1vnd h THR 51 N 0.00 1.05 0.00 -1.15 1.03 -1.99 -2.99 112.91 108.86 1vnd h THR 51 Ca 0.00 -2.84 -0.23 0.00 -0.01 0.00 0.00 66.41 63.33 1vnd h THR 51 Cb 0.06 2.56 -0.04 0.00 -1.07 0.00 0.00 68.15 69.67 1vnd h THR 51 CO -0.00 0.66 -1.21 0.06 -0.01 0.00 0.00 175.52 175.02 1vnd h GLN 52 N 0.01 0.00 -0.37 0.00 3.07 -1.97 -2.96 115.11 112.90 1vnd h GLN 52 Ca -0.23 0.00 -0.14 0.00 0.09 0.00 0.00 58.65 58.36 1vnd h GLN 52 Cb 1.97 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 29.52 1vnd h GLN 52 CO 0.10 0.84 -0.33 -0.24 0.09 0.00 0.00 178.83 179.29 1vnd h VAL 53 N 0.00 1.28 -0.58 1.86 3.04 -1.68 -2.57 116.25 117.60 1vnd h VAL 53 Ca -0.09 -1.50 0.04 0.00 -1.01 0.00 0.00 66.70 64.14 1vnd h VAL 53 Cb 1.84 1.41 -0.04 0.00 -2.01 0.00 0.00 31.29 32.49 1vnd h VAL 53 CO 0.11 0.50 0.33 0.50 -1.01 0.00 0.00 177.57 178.00 1vnd h LYS 54 N 0.67 0.62 -0.00 4.17 1.63 -1.61 -2.97 116.57 119.09 1vnd h LYS 54 Ca 0.06 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1vnd h LYS 54 Cb 0.91 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.40 1vnd h LYS 54 CO 0.08 0.41 -0.28 -0.89 -3.45 0.00 0.00 179.45 175.32 1vnd n ILE 55 N -4.79 0.00 0.02 2.00 5.41 -1.12 -2.67 119.36 118.21 1vnd n ILE 55 Ca 0.06 -0.08 -0.19 0.00 1.00 0.00 0.00 62.75 63.54 1vnd n ILE 55 Cb 0.11 0.24 -0.09 0.00 -0.71 0.00 0.00 39.64 39.20 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 0.76 1.02 0.00 1.39 7.01 -1.36 -3.11 115.95 121.65 1vnd h TRP 56 Ca 0.00 -0.52 0.00 0.00 2.11 0.00 0.00 58.89 60.48 1vnd h TRP 56 Cb 0.48 -0.13 0.00 0.00 -2.10 0.00 0.00 29.16 27.41 1vnd h TRP 56 CO 0.00 1.35 -0.06 0.74 -2.79 0.00 0.00 178.44 177.68 1vnd h PHE 57 N 0.40 0.00 0.07 2.65 0.04 -1.58 -2.14 116.94 116.39 1vnd h PHE 57 Ca -0.10 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.43 1vnd h PHE 57 Cb 1.56 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.70 1vnd h PHE 57 CO 0.10 0.00 -1.11 0.37 -0.60 0.00 0.00 178.31 177.07 1vnd h GLN 58 N 0.00 0.22 0.04 1.51 4.15 -1.61 -3.40 115.11 116.02 1vnd h GLN 58 Ca 0.00 -0.34 -0.36 0.00 0.77 0.00 0.00 58.65 58.72 1vnd h GLN 58 Cb 0.79 0.12 -0.05 0.00 0.21 0.00 0.00 27.48 28.55 1vnd h GLN 58 CO 0.00 1.13 -2.15 0.09 -1.93 0.00 0.00 178.83 175.97 1vnd n ASN 59 N -3.54 1.39 -0.27 -0.69 3.02 -1.18 -4.54 115.26 109.45 1vnd n ASN 59 Ca -0.06 0.12 0.07 0.00 -0.03 0.00 0.00 54.58 54.68 1vnd n ASN 59 Cb 0.96 -0.19 0.31 0.00 -0.61 0.00 0.00 39.78 40.25 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 -3.18 0.15 -0.03 3.10 -0.00 -0.81 -4.41 115.22 110.03 1vnd n HIS 60 Ca -0.33 -0.07 -0.12 0.00 0.46 0.00 0.00 57.72 57.65 1vnd n HIS 60 Cb 1.06 0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 30.85 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 0.99 0.17 0.00 1.57 -0.00 -1.80 -3.49 114.38 111.82 1vnd h ARG 61 Ca 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 59.98 59.91 1vnd h ARG 61 Cb 0.22 -0.01 0.00 0.00 -0.00 0.00 0.00 29.97 30.18 1vnd h ARG 61 CO 0.00 0.51 0.00 0.66 -0.00 0.00 0.00 179.97 181.14 1vnd n TYR 62 N -4.78 0.00 -1.84 4.08 4.02 -1.26 -3.54 117.16 113.84 1vnd n TYR 62 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.82 1vnd n TYR 62 Cb 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.56 1vnd n TYR 62 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 176.86 176.21 1vnd n LYS 63 N 0.00 0.00 -0.10 -0.72 2.85 -1.26 -5.09 118.16 113.84 1vnd n LYS 63 Ca 0.00 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.15 1vnd n LYS 63 Cb 0.00 -2.25 -0.14 0.00 -0.65 0.00 0.00 35.03 31.98 1vnd n LYS 63 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1vnd n THR 64 N -2.46 1.34 0.16 0.58 -1.04 -1.23 -4.70 114.28 106.92 1vnd n THR 64 Ca 0.00 -0.74 0.08 0.00 -2.04 0.00 0.00 64.05 61.35 1vnd n THR 64 Cb 0.40 -0.71 0.07 0.00 -1.82 0.00 0.00 70.33 68.27 1vnd n THR 64 CO 0.00 0.00 0.00 0.07 -0.64 0.00 0.00 175.07 174.50 1vnd h LYS 65 N 0.00 0.00 0.00 -2.82 2.10 -1.90 -3.48 116.57 110.48 1vnd h LYS 65 Ca -0.53 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.12 1vnd h LYS 65 Cb 2.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.43 1vnd h LYS 65 CO 0.00 0.17 0.00 -2.13 -2.00 0.00 0.00 179.45 175.49 1vnd n ARG 66 N -3.04 0.66 -2.32 0.07 3.00 -1.26 -5.02 116.66 108.75 1vnd n ARG 66 Ca 0.01 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.46 1vnd n ARG 66 Cb 0.62 0.00 0.03 0.00 0.00 0.00 0.00 32.46 33.11 1vnd n ARG 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1vnd n ALA 67 N -3.00 6.28 -3.50 5.13 0.00 -1.26 -4.84 120.51 119.31 1vnd n ALA 67 Ca 0.00 -4.39 -0.42 0.00 0.00 0.00 0.00 53.44 48.63 1vnd n ALA 67 Cb 0.00 -2.10 -0.06 0.00 0.00 0.00 0.00 19.45 17.28 1vnd n ALA 67 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1vnd s GLN 68 N -4.22 2.93 -0.36 0.00 -2.07 -1.26 -4.89 119.66 109.79 1vnd s GLN 68 Ca 0.45 -2.21 0.14 0.00 -1.82 0.00 0.00 55.36 51.92 1vnd s GLN 68 Cb 0.30 -4.08 0.39 0.00 -1.09 0.00 0.00 33.01 28.54 1vnd s GLN 68 CO -0.26 -1.23 0.82 -1.71 -1.32 0.00 0.00 175.29 171.59 1vnd n ASN 69 N 4.22 1.18 -0.15 12.60 5.15 -1.26 -4.57 115.26 132.44 1vnd n ASN 69 Ca 0.03 -2.92 -0.04 0.00 -0.60 0.00 0.00 54.58 51.05 1vnd n ASN 69 Cb 0.42 -0.58 0.02 0.00 -0.53 0.00 0.00 39.78 39.11 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 2.99 -0.10 -5.02 1.20 4.11 -1.95 -3.23 114.58 112.59 1vnd h GLU 70 Ca 0.03 0.01 -0.63 0.00 0.07 0.00 0.00 59.36 58.83 1vnd h GLU 70 Cb 1.04 0.02 -0.18 0.00 0.50 0.00 0.00 28.75 30.13 1vnd h GLU 70 CO 0.51 -0.07 -0.56 -1.59 0.07 0.00 0.00 179.01 177.38 1vnd s LYS 71 N -6.14 3.89 0.00 1.06 0.00 -1.26 -4.43 119.74 112.86 1vnd s LYS 71 Ca -0.14 -0.36 0.00 0.00 0.00 0.00 0.00 55.97 55.47 1vnd s LYS 71 Cb 0.16 -3.46 0.00 0.00 0.00 0.00 0.00 37.83 34.53 1vnd s LYS 71 CO 0.71 -0.06 0.00 0.41 0.00 0.00 0.00 175.35 176.41 1vnd n GLY 72 N 4.60 3.61 0.22 0.59 0.00 -1.26 -4.93 105.19 108.01 1vnd n GLY 72 Ca -0.15 -0.72 0.14 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.42 1.61 3.20 -1.72 -2.96 116.97 114.69 1vnd h TYR 73 Ca 0.00 0.00 -0.80 0.00 3.14 0.00 0.00 58.73 61.07 1vnd h TYR 73 Cb 0.00 0.00 -0.28 0.00 1.54 0.00 0.00 36.73 37.99 1vnd h TYR 73 CO 0.00 0.00 0.92 0.39 -1.64 0.00 0.00 178.16 177.83 1vnd n GLU 74 N -2.90 5.14 0.00 1.82 1.02 -1.26 -3.55 120.64 120.91 1vnd n GLU 74 Ca 0.03 -4.65 0.00 0.00 -0.02 0.00 0.00 57.16 52.52 1vnd n GLU 74 Cb 0.40 -2.47 0.00 0.00 -0.02 0.00 0.00 31.44 29.35 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 0.28 -2.17 3.13 0.62 0.00 -1.25 -5.05 105.19 100.75 1vnd n GLY 75 Ca 0.41 0.73 -0.36 0.00 0.00 0.00 0.00 46.02 46.81 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 3.56 -2.00 1.61 5.65 -1.12 -5.16 115.29 117.83 1vnd s HIS 76 Ca 0.00 -2.35 0.23 0.00 0.25 0.00 0.00 55.06 53.19 1vnd s HIS 76 Cb 0.00 -3.12 1.35 0.00 -1.18 0.00 0.00 32.58 29.63 1vnd s HIS 76 CO 0.00 -0.95 1.72 -0.35 -0.65 0.00 0.00 174.74 174.51