#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 4.05 -3.54 0.00 3.41 -1.26 -4.94 113.62 111.34 1vnd n SER 2 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.44 1vnd n SER 2 Cb 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.82 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 2.00 1.13 0.00 4.04 2.15 -1.26 -3.31 116.67 121.41 1vnd s ASP 3 Ca 0.00 -0.02 0.00 0.00 0.43 0.00 0.00 52.55 52.96 1vnd s ASP 3 Cb 0.00 0.42 0.00 0.00 -0.30 0.00 0.00 42.92 43.04 1vnd s ASP 3 CO 0.00 -0.30 0.00 0.61 -0.17 0.00 0.00 175.17 175.31 1vnd n GLY 4 N 5.32 -0.20 0.13 2.66 0.00 -1.26 -5.00 105.19 106.84 1vnd n GLY 4 Ca -0.05 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 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 2.10 -4.70 0.99 4.77 -1.26 -4.97 117.00 113.94 1vnd n LEU 5 Ca 0.00 0.29 -0.42 0.00 -0.03 0.00 0.00 56.01 55.85 1vnd n LEU 5 Cb 0.00 -0.88 -0.03 0.00 -2.33 0.00 0.00 43.42 40.18 1vnd n LEU 5 CO 0.00 0.57 0.76 -2.16 -1.33 0.00 0.00 177.39 175.23 1vnd s PRO 6 N -2.48 4.47 -0.19 3.23 0.04 -1.26 -5.00 135.00 133.81 1vnd s PRO 6 Ca -0.35 1.43 -0.16 0.00 0.04 0.00 0.00 61.00 61.95 1vnd s PRO 6 Cb 0.12 -3.51 -0.04 0.00 0.04 0.00 0.00 34.50 31.11 1vnd s PRO 6 CO 0.54 -0.22 0.43 0.54 0.04 0.00 0.00 177.00 178.32 1vnd s ASN 7 N 1.08 6.48 0.00 6.66 4.22 -1.26 -2.33 114.94 129.79 1vnd s ASN 7 Ca 0.50 0.57 0.00 0.00 -2.14 0.00 0.00 52.86 51.79 1vnd s ASN 7 Cb -0.20 -2.25 0.00 0.00 1.28 0.00 0.00 41.25 40.08 1vnd s ASN 7 CO 0.22 -0.09 0.00 1.17 -2.04 0.00 0.00 177.10 176.36 1vnd n LYS 8 N 4.44 0.00 -2.24 3.55 4.81 -1.26 -4.43 118.16 123.03 1vnd n LYS 8 Ca -0.08 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.35 1vnd n LYS 8 Cb 0.51 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.61 1vnd n LYS 8 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1vnd n LYS 9 N -2.20 1.02 -4.01 1.64 2.85 -1.26 -4.99 118.16 111.21 1vnd n LYS 9 Ca 0.00 -2.07 -0.35 0.00 -1.05 0.00 0.00 58.31 54.84 1vnd n LYS 9 Cb 0.00 -0.31 -0.09 0.00 -0.65 0.00 0.00 35.03 33.98 1vnd n LYS 9 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 177.40 176.37 1vnd s ARG 10 N -1.22 3.93 -0.23 -1.58 1.04 -1.21 -4.71 118.95 114.97 1vnd s ARG 10 Ca 0.18 -0.33 -0.28 0.00 -1.04 0.00 0.00 55.73 54.25 1vnd s ARG 10 Cb 0.32 -3.20 0.15 0.00 -2.04 0.00 0.00 34.95 30.18 1vnd s ARG 10 CO -0.08 0.31 1.15 -1.59 -0.04 0.00 0.00 175.30 175.04 1vnd s LYS 11 N 0.27 0.38 -0.04 3.89 -2.85 -1.26 -4.98 119.74 115.15 1vnd s LYS 11 Ca 0.04 0.20 -0.14 0.00 -1.00 0.00 0.00 55.97 55.07 1vnd s LYS 11 Cb -0.12 0.18 -0.08 0.00 -2.06 0.00 0.00 37.83 35.75 1vnd s LYS 11 CO 0.00 -0.10 0.59 0.07 0.10 0.00 0.00 175.35 176.01 1vnd h ARG 12 N 2.88 -0.48 -6.20 1.78 -0.00 -2.00 -3.46 114.38 106.90 1vnd h ARG 12 Ca -0.19 0.03 -0.50 0.00 -0.00 0.00 0.00 59.98 59.32 1vnd h ARG 12 Cb 1.18 0.11 -0.04 0.00 -0.00 0.00 0.00 29.97 31.21 1vnd h ARG 12 CO 0.23 -0.32 -0.51 1.03 -0.00 0.00 0.00 179.97 180.40 1vnd s ARG 13 N -3.17 2.99 0.02 0.08 1.81 -1.26 -5.08 118.95 114.33 1vnd s ARG 13 Ca -0.07 -1.02 0.00 0.00 -1.72 0.00 0.00 55.73 52.92 1vnd s ARG 13 Cb 0.01 -2.60 -0.04 0.00 -0.45 0.00 0.00 34.95 31.87 1vnd s ARG 13 CO 0.22 0.40 0.09 0.14 -0.68 0.00 0.00 175.30 175.47 1vnd s VAL 14 N -2.12 4.73 -0.44 3.52 -7.23 -1.26 -5.07 120.40 112.53 1vnd s VAL 14 Ca 0.33 -0.48 0.02 0.00 -1.81 0.00 0.00 61.98 60.04 1vnd s VAL 14 Cb -0.08 -3.20 0.15 0.00 0.56 0.00 0.00 36.38 33.82 1vnd s VAL 14 CO 0.25 0.29 0.29 -0.76 -0.31 0.00 0.00 175.10 174.87 1vnd s LEU 15 N -1.92 2.08 0.10 1.32 2.01 -1.26 -5.13 118.68 115.88 1vnd s LEU 15 Ca 0.25 -2.78 0.04 0.00 0.01 0.00 0.00 54.13 51.64 1vnd s LEU 15 Cb -0.12 -0.75 -0.04 0.00 0.01 0.00 0.00 46.19 45.29 1vnd s LEU 15 CO 0.16 -0.23 0.10 -0.36 1.01 0.00 0.00 176.35 177.03 1vnd s PHE 16 N 0.25 3.19 0.13 0.29 0.08 -1.26 -5.14 117.98 115.51 1vnd s PHE 16 Ca 0.23 0.05 0.02 0.00 0.12 0.00 0.00 56.93 57.36 1vnd s PHE 16 Cb -0.13 -1.59 0.02 0.00 -0.57 0.00 0.00 43.02 40.74 1vnd s PHE 16 CO -0.08 0.52 0.15 2.41 -0.10 0.00 0.00 175.22 178.13 1vnd n THR 17 N 0.23 0.00 1.04 0.64 -1.04 -1.26 -4.84 114.28 109.05 1vnd n THR 17 Ca -0.08 -0.45 0.11 0.00 -2.04 0.00 0.00 64.05 61.59 1vnd n THR 17 Cb 0.52 -0.73 0.57 0.00 -1.82 0.00 0.00 70.33 68.87 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 -1.13 0.26 0.02 -2.82 2.85 -1.26 -1.64 118.16 114.44 1vnd n LYS 18 Ca 0.02 0.07 -0.21 0.00 -1.05 0.00 0.00 58.31 57.15 1vnd n LYS 18 Cb 0.14 -1.50 -0.14 0.00 -0.65 0.00 0.00 35.03 32.88 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 3.04 0.11 0.14 0.58 0.00 -1.99 -3.33 119.26 117.80 1vnd h ALA 19 Ca 0.00 -0.99 -0.29 0.00 0.00 0.00 0.00 54.91 53.63 1vnd h ALA 19 Cb 0.26 0.39 0.02 0.00 0.00 0.00 0.00 17.79 18.46 1vnd h ALA 19 CO 0.00 0.71 -1.26 1.96 0.00 0.00 0.00 179.25 180.66 1vnd h GLN 20 N -0.34 0.50 0.00 0.00 1.08 -1.86 -3.04 115.11 111.45 1vnd h GLN 20 Ca -0.26 -0.72 -0.15 0.00 -1.45 0.00 0.00 58.65 56.06 1vnd h GLN 20 Cb 1.72 0.25 -0.02 0.00 -0.05 0.00 0.00 27.48 29.38 1vnd h GLN 20 CO 0.08 1.32 -0.72 1.79 -0.95 0.00 0.00 178.83 180.35 1vnd h THR 21 N 0.20 1.48 0.08 -0.54 1.35 -1.55 -3.01 112.91 110.92 1vnd h THR 21 Ca -0.18 -2.49 -0.00 0.00 -0.55 0.00 0.00 66.41 63.19 1vnd h THR 21 Cb 1.95 2.36 0.00 0.00 -1.73 0.00 0.00 68.15 70.72 1vnd h THR 21 CO 0.23 0.70 -0.04 0.22 -0.25 0.00 0.00 175.52 176.39 1vnd h TYR 22 N 0.00 -0.10 -0.08 4.73 3.20 -1.67 -3.02 116.97 120.02 1vnd h TYR 22 Ca -0.01 -0.00 -0.18 0.00 3.14 0.00 0.00 58.73 61.68 1vnd h TYR 22 Cb 1.30 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.60 1vnd h TYR 22 CO 0.00 0.20 -0.71 0.93 -1.64 0.00 0.00 178.16 176.94 1vnd h GLU 23 N -0.40 0.40 -0.29 1.82 4.39 -1.60 -2.81 114.58 116.09 1vnd h GLU 23 Ca -0.01 -0.32 -0.15 0.00 0.34 0.00 0.00 59.36 59.22 1vnd h GLU 23 Cb 0.34 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1vnd h GLU 23 CO 0.02 0.96 -0.39 -0.07 -1.16 0.00 0.00 179.01 178.37 1vnd h LEU 24 N 0.28 0.84 -0.82 1.33 3.38 -1.64 -2.89 115.31 115.78 1vnd h LEU 24 Ca -0.03 -0.50 -0.12 0.00 0.09 0.00 0.00 57.88 57.32 1vnd h LEU 24 Cb 1.28 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 1vnd h LEU 24 CO 0.12 1.17 -0.56 -0.33 0.09 0.00 0.00 178.44 178.94 1vnd h GLU 25 N 0.52 0.09 0.00 1.13 4.39 -1.63 -2.98 114.58 116.11 1vnd h GLU 25 Ca 0.03 -0.06 -0.10 0.00 0.34 0.00 0.00 59.36 59.58 1vnd h GLU 25 Cb 0.98 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.62 1vnd h GLU 25 CO 0.09 0.62 -0.48 0.07 -1.16 0.00 0.00 179.01 178.16 1vnd h ARG 26 N 0.07 0.00 -0.00 2.33 0.11 -1.54 -2.93 114.38 112.43 1vnd h ARG 26 Ca -0.00 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.90 1vnd h ARG 26 Cb 1.01 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.07 1vnd h ARG 26 CO 0.08 0.47 -0.82 0.00 0.10 0.00 0.00 179.97 179.80 1vnd h ARG 27 N 0.00 0.12 -0.23 0.08 2.47 -1.60 -3.37 114.38 111.85 1vnd h ARG 27 Ca -0.01 -0.13 -0.12 0.00 -1.26 0.00 0.00 59.98 58.47 1vnd h ARG 27 Cb 1.36 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 29.71 1vnd h ARG 27 CO 0.06 0.87 -0.36 0.35 0.56 0.00 0.00 179.97 181.45 1vnd h PHE 28 N 0.07 0.59 0.00 3.04 3.57 -1.35 -2.11 116.94 120.75 1vnd h PHE 28 Ca -0.03 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 61.32 1vnd h PHE 28 Cb 1.43 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 40.04 1vnd h PHE 28 CO 0.02 0.80 -0.27 0.54 -2.23 0.00 0.00 178.31 177.16 1vnd n ARG 29 N -4.05 0.28 -0.01 1.11 5.12 -1.14 -3.69 116.66 114.28 1vnd n ARG 29 Ca -0.01 0.16 -0.03 0.00 -1.93 0.00 0.00 57.85 56.04 1vnd n ARG 29 Cb 0.48 -1.76 -0.12 0.00 -1.16 0.00 0.00 32.46 29.90 1vnd n ARG 29 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 1vnd n GLN 30 N -2.21 0.64 -3.58 5.56 -0.06 -1.18 -5.03 117.38 111.51 1vnd n GLN 30 Ca 0.05 0.17 -0.08 0.00 -2.00 0.00 0.00 57.00 55.13 1vnd n GLN 30 Cb 0.44 -1.73 -0.04 0.00 -4.06 0.00 0.00 30.24 24.84 1vnd n GLN 30 CO 0.00 0.00 0.00 1.14 -0.20 0.00 0.00 177.06 178.00 1vnd s GLN 31 N -2.80 0.49 -0.16 3.69 -2.07 -0.80 -5.07 119.66 112.93 1vnd s GLN 31 Ca -0.05 0.06 0.10 0.00 -1.82 0.00 0.00 55.36 53.65 1vnd s GLN 31 Cb 0.08 0.23 -0.17 0.00 -1.09 0.00 0.00 33.01 32.06 1vnd s GLN 31 CO 0.82 -0.16 -0.02 0.54 -1.32 0.00 0.00 175.29 175.16 1vnd n ARG 32 N 0.54 1.22 -4.82 9.60 5.12 -1.26 -3.73 116.66 123.32 1vnd n ARG 32 Ca -0.07 0.03 -0.32 0.00 -1.93 0.00 0.00 57.85 55.55 1vnd n ARG 32 Cb 0.58 -1.39 -0.13 0.00 -1.16 0.00 0.00 32.46 30.37 1vnd n ARG 32 CO 0.00 0.00 0.00 1.52 -1.93 0.00 0.00 177.63 177.22 1vnd s TYR 33 N -2.37 2.68 -0.18 -1.55 -0.85 -1.26 -5.01 117.35 108.81 1vnd s TYR 33 Ca -0.13 -0.17 -0.07 0.00 -0.52 0.00 0.00 57.07 56.18 1vnd s TYR 33 Cb 0.05 -1.59 0.08 0.00 0.38 0.00 0.00 41.96 40.88 1vnd s TYR 33 CO 0.57 0.21 0.39 -0.48 -1.52 0.00 0.00 175.55 174.72 1vnd s LEU 34 N -0.92 -0.50 0.60 -3.49 -0.00 -1.26 -5.15 118.68 107.96 1vnd s LEU 34 Ca 0.13 0.92 -0.03 0.00 -0.00 0.00 0.00 54.13 55.14 1vnd s LEU 34 Cb -0.11 1.25 0.03 0.00 -0.00 0.00 0.00 46.19 47.37 1vnd s LEU 34 CO 0.02 -0.23 0.86 -0.94 -0.00 0.00 0.00 176.35 176.07 1vnd s SER 35 N 2.39 5.25 0.41 1.48 1.04 -1.26 -4.63 113.70 118.37 1vnd s SER 35 Ca -0.03 0.31 0.19 0.00 0.48 0.00 0.00 55.95 56.90 1vnd s SER 35 Cb -0.11 -1.18 1.11 0.00 0.10 0.00 0.00 66.02 65.94 1vnd s SER 35 CO -0.12 -1.23 1.81 0.00 0.98 0.00 0.00 173.24 174.68 1vnd h ALA 36 N -0.15 2.25 0.00 5.32 0.00 -2.02 0.05 119.26 124.71 1vnd h ALA 36 Ca -0.44 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.43 1vnd h ALA 36 Cb 1.29 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1vnd h ALA 36 CO 0.57 -0.60 -0.36 -1.35 0.00 0.00 0.00 179.25 177.50 1vnd h PRO 37 N 0.39 0.00 0.00 0.00 0.11 -1.99 -3.00 132.00 127.51 1vnd h PRO 37 Ca 0.54 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.58 1vnd h PRO 37 Cb 1.39 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.49 1vnd h PRO 37 CO -0.23 0.36 -1.97 -0.85 -0.21 0.00 0.00 178.00 175.10 1vnd n GLU 38 N -4.01 0.68 0.08 1.05 0.28 -0.94 -4.16 120.64 113.62 1vnd n GLU 38 Ca -0.02 -0.14 -0.22 0.00 -0.16 0.00 0.00 57.16 56.62 1vnd n GLU 38 Cb 0.41 -1.47 -0.14 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 0.44 0.00 3.44 2.43 -1.07 -3.04 114.38 116.58 1vnd h ARG 39 Ca -0.10 -0.68 -0.03 0.00 -0.81 0.00 0.00 59.98 58.35 1vnd h ARG 39 Cb 1.15 0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 30.94 1vnd h ARG 39 CO 0.01 1.31 -0.16 0.93 -1.51 0.00 0.00 179.97 180.54 1vnd h GLU 40 N -0.08 0.00 0.00 0.20 4.39 -1.77 -2.99 114.58 114.32 1vnd h GLU 40 Ca -0.18 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.35 1vnd h GLU 40 Cb 1.81 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.43 1vnd h GLU 40 CO 0.20 0.13 -0.86 1.25 -1.16 0.00 0.00 179.01 178.57 1vnd h HIS 41 N 0.00 0.00 -0.03 4.33 2.76 -1.72 -2.62 115.15 117.87 1vnd h HIS 41 Ca -0.00 0.00 -0.18 0.00 -2.20 0.00 0.00 60.37 57.99 1vnd h HIS 41 Cb 1.10 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.05 1vnd h HIS 41 CO 0.00 0.78 -0.78 1.25 -1.30 0.00 0.00 177.93 177.88 1vnd h LEU 42 N 0.00 0.30 0.00 0.26 7.12 -1.51 -2.51 115.31 118.96 1vnd h LEU 42 Ca -0.03 -0.21 -0.14 0.00 0.13 0.00 0.00 57.88 57.62 1vnd h LEU 42 Cb 1.62 -0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 41.64 1vnd h LEU 42 CO 0.10 0.96 -0.68 0.00 -0.13 0.00 0.00 178.44 178.69 1vnd h ALA 43 N 1.02 0.56 0.00 1.25 0.00 -1.56 -2.72 119.26 117.82 1vnd h ALA 43 Ca -0.03 -0.62 -0.17 0.00 0.00 0.00 0.00 54.91 54.09 1vnd h ALA 43 Cb 1.37 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 1vnd h ALA 43 CO 0.12 0.85 -1.10 0.77 0.00 0.00 0.00 179.25 179.89 1vnd h SER 44 N 0.00 0.00 0.03 0.00 0.02 -1.54 -0.21 113.55 111.86 1vnd h SER 44 Ca -0.01 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.72 1vnd h SER 44 Cb 1.52 0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.07 1vnd h SER 44 CO 0.09 0.69 -0.86 0.25 -1.14 0.00 0.00 176.83 175.86 1vnd h LEU 45 N 0.00 0.79 0.00 5.07 5.85 -1.49 -3.37 115.31 122.16 1vnd h LEU 45 Ca -0.10 -0.56 0.00 0.00 0.84 0.00 0.00 57.88 58.05 1vnd h LEU 45 Cb 1.62 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.41 1vnd h LEU 45 CO 0.07 1.35 -1.55 2.30 -0.34 0.00 0.00 178.44 180.27 1vnd n ILE 46 N -3.87 0.00 -1.12 4.05 -5.35 -1.03 -5.06 119.36 106.98 1vnd n ILE 46 Ca -0.08 -0.33 0.00 0.00 -0.27 0.00 0.00 62.75 62.08 1vnd n ILE 46 Cb 0.78 0.29 0.00 0.00 -1.74 0.00 0.00 39.64 38.98 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 -1.93 0.00 -2.54 6.28 3.00 -0.91 -5.00 116.66 115.56 1vnd n ARG 47 Ca -0.02 0.30 -0.05 0.00 -0.00 0.00 0.00 57.85 58.08 1vnd n ARG 47 Cb 0.39 -1.12 -0.02 0.00 0.00 0.00 0.00 32.46 31.71 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 -0.83 0.00 -4.88 6.15 4.77 -0.14 -5.04 117.00 117.04 1vnd n LEU 48 Ca 0.00 -0.75 -0.33 0.00 -0.03 0.00 0.00 56.01 54.89 1vnd n LEU 48 Cb 0.37 0.36 -0.05 0.00 -2.33 0.00 0.00 43.42 41.78 1vnd n LEU 48 CO 0.00 -0.12 0.06 0.42 -1.33 0.00 0.00 177.39 176.41 1vnd s THR 49 N -2.23 5.13 0.62 -5.08 -4.23 -1.26 -4.66 115.64 103.93 1vnd s THR 49 Ca 0.08 0.29 0.33 0.00 -1.18 0.00 0.00 61.69 61.22 1vnd s THR 49 Cb 0.00 -3.63 0.37 0.00 1.34 0.00 0.00 72.50 70.59 1vnd s THR 49 CO 0.06 0.20 2.18 -0.65 -0.54 0.00 0.00 174.62 175.87 1vnd h PRO 50 N 3.39 0.00 0.06 3.99 0.11 -1.95 -3.04 132.00 134.56 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 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 1vnd h PRO 50 CO 0.68 0.00 -1.51 0.00 -0.21 0.00 0.00 178.00 176.97 1vnd h THR 51 N 0.00 1.14 0.03 -1.15 1.03 -1.96 -2.98 112.91 109.02 1vnd h THR 51 Ca 0.03 -2.86 -0.24 0.00 -0.01 0.00 0.00 66.41 63.33 1vnd h THR 51 Cb 0.27 2.66 -0.03 0.00 -1.07 0.00 0.00 68.15 69.99 1vnd h THR 51 CO -0.00 0.75 -1.19 0.06 -0.01 0.00 0.00 175.52 175.14 1vnd h GLN 52 N 0.03 0.07 -0.37 0.00 3.07 -1.93 -2.95 115.11 113.04 1vnd h GLN 52 Ca -0.22 -0.11 -0.14 0.00 0.09 0.00 0.00 58.65 58.26 1vnd h GLN 52 Cb 1.97 0.04 -0.01 0.00 0.08 0.00 0.00 27.48 29.56 1vnd h GLN 52 CO 0.13 0.98 -0.35 -0.24 0.09 0.00 0.00 178.83 179.43 1vnd h VAL 53 N 0.02 1.28 -0.65 1.86 3.04 -1.68 -2.55 116.25 117.56 1vnd h VAL 53 Ca -0.09 -1.51 0.05 0.00 -1.01 0.00 0.00 66.70 64.14 1vnd h VAL 53 Cb 1.86 1.36 -0.05 0.00 -2.01 0.00 0.00 31.29 32.45 1vnd h VAL 53 CO 0.14 0.50 0.37 0.50 -1.01 0.00 0.00 177.57 178.07 1vnd h LYS 54 N 0.70 0.68 -0.00 4.17 1.63 -1.58 -2.95 116.57 119.22 1vnd h LYS 54 Ca 0.07 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1vnd h LYS 54 Cb 0.91 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.39 1vnd h LYS 54 CO 0.08 0.45 -0.28 -0.89 -3.45 0.00 0.00 179.45 175.37 1vnd n ILE 55 N -4.77 0.00 -0.00 2.00 5.41 -1.11 -2.35 119.36 118.53 1vnd n ILE 55 Ca 0.08 -0.02 -0.18 0.00 1.00 0.00 0.00 62.75 63.62 1vnd n ILE 55 Cb 0.15 0.01 -0.09 0.00 -0.71 0.00 0.00 39.64 38.99 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 0.22 0.89 0.00 1.39 7.01 -1.33 -3.21 115.95 120.92 1vnd h TRP 56 Ca 0.00 -0.43 0.00 0.00 2.11 0.00 0.00 58.89 60.57 1vnd h TRP 56 Cb 0.47 -0.12 0.00 0.00 -2.10 0.00 0.00 29.16 27.41 1vnd h TRP 56 CO 0.00 1.25 -0.26 1.19 -2.79 0.00 0.00 178.44 177.83 1vnd n PHE 57 N -4.04 0.00 0.07 2.65 3.72 -1.13 -2.99 117.46 115.74 1vnd n PHE 57 Ca -0.09 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.10 1vnd n PHE 57 Cb 0.73 -0.37 -0.13 0.00 -0.94 0.00 0.00 39.48 38.77 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 0.55 0.00 -1.08 4.15 -1.56 -3.39 115.11 113.79 1vnd h GLN 58 Ca 0.00 -0.72 -0.06 0.00 0.77 0.00 0.00 58.65 58.63 1vnd h GLN 58 Cb 0.50 0.24 -0.01 0.00 0.21 0.00 0.00 27.48 28.42 1vnd h GLN 58 CO 0.00 1.31 -1.26 0.09 -1.93 0.00 0.00 178.83 177.04 1vnd n ASN 59 N -3.92 0.76 0.09 -0.69 3.02 -1.21 -4.36 115.26 108.95 1vnd n ASN 59 Ca -0.13 0.31 -0.13 0.00 -0.03 0.00 0.00 54.58 54.60 1vnd n ASN 59 Cb 0.90 0.51 -0.10 0.00 -0.61 0.00 0.00 39.78 40.49 1vnd n ASN 59 CO 0.00 0.00 0.00 0.45 -2.62 0.00 0.00 177.26 175.09 1vnd h HIS 60 N 0.00 0.40 -0.67 3.10 3.86 -1.74 -3.37 115.15 116.73 1vnd h HIS 60 Ca -0.07 -0.26 -0.40 0.00 -1.16 0.00 0.00 60.37 58.48 1vnd h HIS 60 Cb 1.22 -0.03 -0.13 0.00 1.06 0.00 0.00 27.41 29.53 1vnd h HIS 60 CO 0.00 1.16 0.23 2.89 0.86 0.00 0.00 177.93 183.06 1vnd n ARG 61 N -3.56 2.34 0.25 2.45 1.85 -1.26 -4.78 116.66 113.94 1vnd n ARG 61 Ca -0.06 -1.89 0.17 0.00 -1.00 0.00 0.00 57.85 55.07 1vnd n ARG 61 Cb 0.94 -2.12 0.82 0.00 -1.05 0.00 0.00 32.46 31.05 1vnd n ARG 61 CO 0.00 0.00 0.00 0.10 -0.01 0.00 0.00 177.63 177.72 1vnd h TYR 62 N 3.08 0.00 0.00 2.89 -0.00 -1.86 -3.44 116.97 117.64 1vnd h TYR 62 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.07 1vnd h TYR 62 Cb 0.99 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.72 1vnd h TYR 62 CO 1.59 0.00 0.00 0.36 -0.00 0.00 0.00 178.16 180.11 1vnd n LYS 63 N -2.76 0.00 -0.02 0.10 0.00 -1.26 -5.09 118.16 109.13 1vnd n LYS 63 Ca -0.01 0.00 0.01 0.00 -0.00 0.00 0.00 58.31 58.31 1vnd n LYS 63 Cb 0.15 0.00 -0.13 0.00 -0.00 0.00 0.00 35.03 35.05 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 0.00 0.82 -2.22 0.58 -1.04 -1.26 -4.48 114.28 106.68 1vnd n THR 64 Ca 0.00 -0.67 -0.42 0.00 -2.04 0.00 0.00 64.05 60.92 1vnd n THR 64 Cb 0.00 -0.38 0.00 0.00 -1.82 0.00 0.00 70.33 68.13 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 -2.62 4.01 0.00 -2.82 4.76 -1.26 -1.56 118.16 118.67 1vnd n LYS 65 Ca -0.14 -3.52 0.00 0.00 -2.87 0.00 0.00 58.31 51.78 1vnd n LYS 65 Cb 0.83 -2.80 0.00 0.00 -1.84 0.00 0.00 35.03 31.22 1vnd n LYS 65 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 1vnd n ARG 66 N 2.99 0.00 -0.07 1.97 -4.01 -1.26 -4.75 116.66 111.53 1vnd n ARG 66 Ca 0.48 0.00 -0.04 0.00 -1.04 0.00 0.00 57.85 57.25 1vnd n ARG 66 Cb 0.32 -0.23 -0.16 0.00 -3.04 0.00 0.00 32.46 29.35 1vnd n ARG 66 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1vnd n ALA 67 N -1.09 1.88 -1.49 2.89 0.00 -1.15 -4.25 120.51 117.29 1vnd n ALA 67 Ca 0.00 -1.06 -0.31 0.00 0.00 0.00 0.00 53.44 52.07 1vnd n ALA 67 Cb 0.00 -0.32 0.07 0.00 0.00 0.00 0.00 19.45 19.20 1vnd n ALA 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1vnd n GLN 68 N -2.58 2.88 -3.01 0.00 6.02 -0.60 -4.40 117.38 115.68 1vnd n GLN 68 Ca -0.24 -3.49 -0.16 0.00 -0.01 0.00 0.00 57.00 53.11 1vnd n GLN 68 Cb 0.96 -2.27 -0.00 0.00 1.02 0.00 0.00 30.24 29.95 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 -0.88 -0.79 0.00 1.08 5.15 -1.26 -4.73 115.26 113.82 1vnd n ASN 69 Ca 0.58 -3.10 -0.00 0.00 -0.60 0.00 0.00 54.58 51.45 1vnd n ASN 69 Cb 0.78 0.39 -0.00 0.00 -0.53 0.00 0.00 39.78 40.41 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 3.55 -0.01 0.00 1.20 -0.00 -1.83 -3.33 114.58 114.15 1vnd h GLU 70 Ca -0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 59.36 59.07 1vnd h GLU 70 Cb 0.98 0.00 0.05 0.00 -0.00 0.00 0.00 28.75 29.78 1vnd h GLU 70 CO 0.38 -0.01 0.05 1.63 -0.00 0.00 0.00 179.01 181.07 1vnd n LYS 71 N -2.56 0.26 -0.88 1.06 5.02 -1.26 -4.76 118.16 115.03 1vnd n LYS 71 Ca -0.00 -1.71 -0.15 0.00 -2.02 0.00 0.00 58.31 54.43 1vnd n LYS 71 Cb 0.01 -0.37 0.02 0.00 -0.02 0.00 0.00 35.03 34.67 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 0.34 3.90 0.11 0.72 0.00 -1.26 -4.50 105.19 104.51 1vnd n GLY 72 Ca 0.10 -1.01 -0.12 0.00 0.00 0.00 0.00 46.02 44.99 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 1.53 -0.15 -1.07 1.61 3.20 -1.95 -3.37 116.97 116.78 1vnd h TYR 73 Ca 0.26 -0.00 -0.51 0.00 3.14 0.00 0.00 58.73 61.62 1vnd h TYR 73 Cb 0.92 0.05 -0.42 0.00 1.54 0.00 0.00 36.73 38.82 1vnd h TYR 73 CO 0.79 0.32 -0.87 0.39 -1.64 0.00 0.00 178.16 177.15 1vnd n GLU 74 N -4.92 2.99 0.00 1.82 -0.58 -1.26 -5.02 120.64 113.67 1vnd n GLU 74 Ca -0.08 -4.11 0.00 0.00 -0.42 0.00 0.00 57.16 52.54 1vnd n GLU 74 Cb 0.27 -2.05 0.00 0.00 -0.57 0.00 0.00 31.44 29.09 1vnd n GLU 74 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1vnd n GLY 75 N -0.51 1.09 3.43 0.62 0.00 -1.26 -5.05 105.19 103.51 1vnd n GLY 75 Ca 0.33 -0.77 -0.16 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.50 -2.00 1.61 2.46 -1.26 -4.66 115.29 110.94 1vnd s HIS 76 Ca 0.00 0.80 0.15 0.00 0.47 0.00 0.00 55.06 56.48 1vnd s HIS 76 Cb 0.00 0.32 0.92 0.00 -0.13 0.00 0.00 32.58 33.69 1vnd s HIS 76 CO 0.00 -0.56 1.33 -2.30 -2.47 0.00 0.00 174.74 170.74