#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 2.29 -3.14 0.00 3.41 -1.26 -4.46 113.62 110.46 1vnd n SER 2 Ca 0.00 -0.09 -0.22 0.00 -0.26 0.00 0.00 58.87 58.30 1vnd n SER 2 Cb 0.00 -0.13 -0.04 0.00 -0.26 0.00 0.00 64.21 63.78 1vnd n SER 2 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1vnd n ASP 3 N -2.99 2.11 0.00 4.04 8.00 -1.26 -3.95 116.55 122.50 1vnd n ASP 3 Ca -0.33 -3.21 0.00 0.00 0.71 0.00 0.00 54.79 51.96 1vnd n ASP 3 Cb 0.89 -0.61 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 1vnd n ASP 3 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vnd n GLY 4 N 0.35 2.70 3.27 0.44 0.00 -0.84 -4.44 105.19 106.67 1vnd n GLY 4 Ca 0.27 -0.13 -0.15 0.00 0.00 0.00 0.00 46.02 46.01 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 2.39 0.27 0.99 1.43 -1.26 -3.99 118.68 118.51 1vnd s LEU 5 Ca 0.00 -1.09 -0.24 0.00 -1.03 0.00 0.00 54.13 51.77 1vnd s LEU 5 Cb 0.00 -0.28 -0.09 0.00 0.03 0.00 0.00 46.19 45.85 1vnd s LEU 5 CO 0.00 -0.41 0.85 -2.16 0.23 0.00 0.00 176.35 174.86 1vnd s PRO 6 N -3.80 4.47 0.00 1.29 0.04 -1.26 -2.78 135.00 132.96 1vnd s PRO 6 Ca 0.21 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.40 1vnd s PRO 6 Cb 0.04 -2.89 0.00 0.00 0.04 0.00 0.00 34.50 31.69 1vnd s PRO 6 CO 0.03 0.36 0.00 0.09 0.04 0.00 0.00 177.00 177.52 1vnd n ASN 7 N 0.74 0.00 -4.51 6.66 3.02 -1.26 -4.71 115.26 115.20 1vnd n ASN 7 Ca -0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.12 1vnd n ASN 7 Cb 0.50 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.59 1vnd n ASN 7 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1vnd s LYS 8 N 2.12 3.28 5.00 3.52 -0.14 -1.26 -4.85 119.74 127.42 1vnd s LYS 8 Ca 0.00 -0.49 0.00 0.00 -1.36 0.00 0.00 55.97 54.12 1vnd s LYS 8 Cb 0.00 -3.92 0.00 0.00 -1.68 0.00 0.00 37.83 32.23 1vnd s LYS 8 CO 0.00 -0.86 0.00 1.63 -0.76 0.00 0.00 175.35 175.36 1vnd n LYS 9 N 5.86 0.00 -3.55 1.68 5.02 -1.26 -4.84 118.16 121.08 1vnd n LYS 9 Ca -0.05 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.12 1vnd n LYS 9 Cb 0.48 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.45 1vnd n LYS 9 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1vnd s ARG 10 N 0.00 1.12 -0.22 1.97 1.70 -1.26 -5.03 118.95 117.23 1vnd s ARG 10 Ca 0.00 -0.48 -0.10 0.00 -0.47 0.00 0.00 55.73 54.68 1vnd s ARG 10 Cb 0.00 0.51 0.08 0.00 -0.57 0.00 0.00 34.95 34.97 1vnd s ARG 10 CO 0.00 -0.44 0.50 -1.59 -1.08 0.00 0.00 175.30 172.69 1vnd s LYS 11 N -3.33 0.46 0.41 3.89 -2.85 -1.26 -5.05 119.74 112.01 1vnd s LYS 11 Ca -0.00 1.05 0.13 0.00 -1.00 0.00 0.00 55.97 56.15 1vnd s LYS 11 Cb 0.00 0.25 0.97 0.00 -2.06 0.00 0.00 37.83 36.99 1vnd s LYS 11 CO -0.09 -0.19 1.94 0.00 0.10 0.00 0.00 175.35 177.11 1vnd h ARG 12 N 7.56 0.49 0.00 1.78 2.47 -2.03 -3.40 114.38 121.24 1vnd h ARG 12 Ca -0.26 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.43 1vnd h ARG 12 Cb 1.16 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 29.37 1vnd h ARG 12 CO 0.18 0.32 0.00 0.54 0.56 0.00 0.00 179.97 181.58 1vnd n ARG 13 N -4.49 0.00 -0.61 0.04 5.12 -1.26 -4.70 116.66 110.76 1vnd n ARG 13 Ca 0.13 0.00 0.07 0.00 -1.93 0.00 0.00 57.85 56.12 1vnd n ARG 13 Cb 0.42 0.00 0.32 0.00 -1.16 0.00 0.00 32.46 32.04 1vnd n ARG 13 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1vnd n VAL 14 N 0.00 1.81 -1.62 1.55 0.31 -1.26 -5.02 118.33 114.11 1vnd n VAL 14 Ca 0.00 -1.07 -0.37 0.00 -0.01 0.00 0.00 64.34 62.90 1vnd n VAL 14 Cb 0.00 -0.05 0.07 0.00 -0.91 0.00 0.00 33.84 32.95 1vnd n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1vnd n LEU 15 N 0.82 5.34 -4.66 7.52 -0.00 -1.26 -4.83 117.00 119.93 1vnd n LEU 15 Ca 0.23 0.79 -0.41 0.00 -0.00 0.00 0.00 56.01 56.61 1vnd n LEU 15 Cb 0.87 -1.51 -0.05 0.00 -0.00 0.00 0.00 43.42 42.73 1vnd n LEU 15 CO 0.23 -1.29 0.53 -0.36 -0.00 0.00 0.00 177.39 176.50 1vnd s PHE 16 N -1.52 3.37 0.13 1.47 0.08 -1.26 -4.87 117.98 115.38 1vnd s PHE 16 Ca 0.80 1.08 0.01 0.00 0.12 0.00 0.00 56.93 58.94 1vnd s PHE 16 Cb -0.37 -2.94 0.01 0.00 -0.57 0.00 0.00 43.02 39.14 1vnd s PHE 16 CO 0.43 -0.27 0.05 2.41 -0.10 0.00 0.00 175.22 177.74 1vnd n THR 17 N 4.89 0.00 1.34 0.64 -1.04 -1.26 -4.73 114.28 114.12 1vnd n THR 17 Ca 0.02 -0.57 0.04 0.00 -2.04 0.00 0.00 64.05 61.51 1vnd n THR 17 Cb 0.49 -0.13 0.23 0.00 -1.82 0.00 0.00 70.33 69.09 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 -0.57 0.67 -0.08 -2.82 2.85 -1.26 -1.40 118.16 115.55 1vnd n LYS 18 Ca -0.03 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.08 1vnd n LYS 18 Cb 0.16 -1.18 -0.10 0.00 -0.65 0.00 0.00 35.03 33.26 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 2.69 0.11 0.19 0.58 0.00 -1.99 -3.39 119.26 117.46 1vnd h ALA 19 Ca 0.00 -0.76 -0.34 0.00 0.00 0.00 0.00 54.91 53.81 1vnd h ALA 19 Cb 0.00 0.37 0.01 0.00 0.00 0.00 0.00 17.79 18.17 1vnd h ALA 19 CO 0.00 0.35 -1.68 1.96 0.00 0.00 0.00 179.25 179.88 1vnd h GLN 20 N -1.00 0.40 -0.17 0.00 1.08 -1.65 -3.03 115.11 110.73 1vnd h GLN 20 Ca -0.15 -0.68 -0.14 0.00 -1.45 0.00 0.00 58.65 56.24 1vnd h GLN 20 Cb 0.99 0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 28.66 1vnd h GLN 20 CO -0.09 1.31 -0.47 1.79 -0.95 0.00 0.00 178.83 180.41 1vnd h THR 21 N 0.11 1.32 0.13 -0.54 1.35 -1.52 -3.03 112.91 110.73 1vnd h THR 21 Ca -0.32 -1.68 -0.01 0.00 -0.55 0.00 0.00 66.41 63.85 1vnd h THR 21 Cb 2.10 1.70 0.00 0.00 -1.73 0.00 0.00 68.15 70.23 1vnd h THR 21 CO 0.19 0.52 -0.06 0.22 -0.25 0.00 0.00 175.52 176.13 1vnd h TYR 22 N 0.36 -0.17 -0.09 4.73 3.20 -1.75 -3.02 116.97 120.23 1vnd h TYR 22 Ca 0.02 -0.00 -0.17 0.00 3.14 0.00 0.00 58.73 61.71 1vnd h TYR 22 Cb 0.97 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.29 1vnd h TYR 22 CO 0.03 0.07 -0.68 0.93 -1.64 0.00 0.00 178.16 176.88 1vnd h GLU 23 N -0.39 0.40 -0.33 1.82 4.39 -1.60 -2.79 114.58 116.08 1vnd h GLU 23 Ca -0.02 -0.30 -0.12 0.00 0.34 0.00 0.00 59.36 59.27 1vnd h GLU 23 Cb 0.31 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1vnd h GLU 23 CO 0.03 0.93 -0.24 -0.07 -1.16 0.00 0.00 179.01 178.49 1vnd h LEU 24 N 0.28 0.79 -0.79 1.33 3.38 -1.63 -2.97 115.31 115.69 1vnd h LEU 24 Ca -0.02 -0.44 -0.13 0.00 0.09 0.00 0.00 57.88 57.38 1vnd h LEU 24 Cb 1.23 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1vnd h LEU 24 CO 0.12 1.06 -0.55 -0.33 0.09 0.00 0.00 178.44 178.82 1vnd h GLU 25 N 0.52 0.15 0.00 1.13 4.39 -1.62 -3.06 114.58 116.09 1vnd h GLU 25 Ca 0.06 -0.10 -0.13 0.00 0.34 0.00 0.00 59.36 59.53 1vnd h GLU 25 Cb 0.81 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.45 1vnd h GLU 25 CO 0.07 0.67 -0.64 0.07 -1.16 0.00 0.00 179.01 178.01 1vnd h ARG 26 N 0.12 0.00 -0.02 2.33 0.11 -1.53 -2.85 114.38 112.54 1vnd h ARG 26 Ca -0.00 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 59.91 1vnd h ARG 26 Cb 1.01 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.08 1vnd h ARG 26 CO 0.08 0.64 -0.74 0.00 0.10 0.00 0.00 179.97 180.05 1vnd h ARG 27 N 0.00 0.16 0.00 0.08 2.47 -1.63 -3.36 114.38 112.10 1vnd h ARG 27 Ca -0.01 -0.14 -0.06 0.00 -1.26 0.00 0.00 59.98 58.51 1vnd h ARG 27 Cb 1.47 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.81 1vnd h ARG 27 CO 0.08 0.82 -0.30 0.35 0.56 0.00 0.00 179.97 181.48 1vnd h PHE 28 N 0.10 0.00 0.00 3.04 3.57 -1.39 -2.23 116.94 120.03 1vnd h PHE 28 Ca -0.02 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.32 1vnd h PHE 28 Cb 1.30 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.02 1vnd h PHE 28 CO 0.02 0.30 -0.76 0.00 -2.23 0.00 0.00 178.31 175.64 1vnd h ARG 29 N 0.00 0.00 0.00 1.11 2.47 -1.65 -3.34 114.38 112.97 1vnd h ARG 29 Ca -0.00 0.00 -0.24 0.00 -1.26 0.00 0.00 59.98 58.48 1vnd h ARG 29 Cb 0.65 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.93 1vnd h ARG 29 CO 0.04 0.76 -1.79 0.94 0.56 0.00 0.00 179.97 180.49 1vnd n GLN 30 N -3.30 0.64 -3.55 0.04 -0.06 -1.20 -5.04 117.38 104.92 1vnd n GLN 30 Ca 0.01 0.15 -0.12 0.00 -2.00 0.00 0.00 57.00 55.04 1vnd n GLN 30 Cb 0.84 -1.71 -0.05 0.00 -4.06 0.00 0.00 30.24 25.26 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 -2.78 0.76 -0.17 3.69 -2.07 -0.84 -5.07 119.66 113.18 1vnd s GLN 31 Ca -0.06 0.08 0.07 0.00 -1.82 0.00 0.00 55.36 53.63 1vnd s GLN 31 Cb 0.08 0.36 -0.16 0.00 -1.09 0.00 0.00 33.01 32.21 1vnd s GLN 31 CO 0.83 -0.26 -0.07 0.54 -1.32 0.00 0.00 175.29 175.01 1vnd n ARG 32 N 0.57 0.98 -4.87 9.60 5.12 -1.26 -3.80 116.66 123.00 1vnd n ARG 32 Ca -0.12 0.06 -0.33 0.00 -1.93 0.00 0.00 57.85 55.53 1vnd n ARG 32 Cb 0.59 -1.39 -0.14 0.00 -1.16 0.00 0.00 32.46 30.36 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 2.72 -0.11 -1.55 1.51 -1.26 -5.00 117.35 111.28 1vnd s TYR 33 Ca -0.17 -0.31 -0.04 0.00 -1.01 0.00 0.00 57.07 55.53 1vnd s TYR 33 Cb 0.06 -1.69 0.06 0.00 -0.11 0.00 0.00 41.96 40.28 1vnd s TYR 33 CO 0.53 0.06 0.23 -0.48 -1.11 0.00 0.00 175.55 174.78 1vnd s LEU 34 N -0.41 -0.19 0.62 -1.29 -0.00 -1.26 -5.17 118.68 110.98 1vnd s LEU 34 Ca 0.05 0.52 -0.08 0.00 -0.00 0.00 0.00 54.13 54.62 1vnd s LEU 34 Cb -0.12 0.58 0.01 0.00 -0.00 0.00 0.00 46.19 46.66 1vnd s LEU 34 CO 0.02 -0.24 0.96 -0.94 -0.00 0.00 0.00 176.35 176.15 1vnd s SER 35 N 2.31 5.58 0.39 1.48 1.04 -1.26 -4.64 113.70 118.60 1vnd s SER 35 Ca 0.01 0.85 0.15 0.00 0.48 0.00 0.00 55.95 57.45 1vnd s SER 35 Cb -0.12 -1.80 1.01 0.00 0.10 0.00 0.00 66.02 65.21 1vnd s SER 35 CO -0.08 -1.12 1.83 0.00 0.98 0.00 0.00 173.24 174.85 1vnd h ALA 36 N -0.30 2.10 -0.27 5.32 0.00 -2.02 -0.38 119.26 123.70 1vnd h ALA 36 Ca -0.45 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.37 1vnd h ALA 36 Cb 1.25 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1vnd h ALA 36 CO 0.62 -0.41 -0.32 -1.35 0.00 0.00 0.00 179.25 177.78 1vnd h PRO 37 N 0.48 0.58 0.00 0.00 0.11 -1.99 -3.00 132.00 128.19 1vnd h PRO 37 Ca 0.50 -0.26 0.00 0.00 0.11 0.00 0.00 66.00 66.35 1vnd h PRO 37 Cb 1.14 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1vnd h PRO 37 CO -0.23 0.83 -1.25 -0.85 -0.21 0.00 0.00 178.00 176.30 1vnd n GLU 38 N -4.07 0.52 0.14 1.05 0.28 -0.98 -3.74 120.64 113.85 1vnd n GLU 38 Ca -0.01 0.01 -0.25 0.00 -0.16 0.00 0.00 57.16 56.75 1vnd n GLU 38 Cb 0.47 -1.68 -0.16 0.00 1.43 0.00 0.00 31.44 31.50 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 0.54 0.00 3.44 2.43 -1.16 -3.06 114.38 116.57 1vnd h ARG 39 Ca 0.00 -0.92 0.00 0.00 -0.81 0.00 0.00 59.98 58.25 1vnd h ARG 39 Cb 0.92 0.34 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 1vnd h ARG 39 CO 0.00 1.44 -0.16 0.93 -1.51 0.00 0.00 179.97 180.67 1vnd h GLU 40 N 0.14 0.00 0.00 0.20 3.07 -1.72 -3.02 114.58 113.25 1vnd h GLU 40 Ca -0.27 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 58.40 1vnd h GLU 40 Cb 2.17 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 30.05 1vnd h GLU 40 CO 0.27 0.00 -0.98 1.25 -1.40 0.00 0.00 179.01 178.15 1vnd h HIS 41 N 0.00 0.00 -0.07 4.33 2.76 -1.66 -2.44 115.15 118.07 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 0.86 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.81 1vnd h HIS 41 CO 0.00 0.90 -0.70 1.25 -1.30 0.00 0.00 177.93 178.08 1vnd h LEU 42 N 0.00 0.37 0.00 0.26 7.12 -1.50 -2.28 115.31 119.28 1vnd h LEU 42 Ca -0.04 -0.24 -0.10 0.00 0.13 0.00 0.00 57.88 57.64 1vnd h LEU 42 Cb 1.72 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 41.72 1vnd h LEU 42 CO 0.11 0.96 -0.56 0.00 -0.13 0.00 0.00 178.44 178.82 1vnd h ALA 43 N 1.03 0.70 0.00 1.25 0.00 -1.58 -2.67 119.26 118.00 1vnd h ALA 43 Ca -0.02 -0.43 -0.19 0.00 0.00 0.00 0.00 54.91 54.27 1vnd h ALA 43 Cb 1.26 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 1vnd h ALA 43 CO 0.11 0.56 -1.17 1.03 0.00 0.00 0.00 179.25 179.79 1vnd h SER 44 N 0.00 0.00 0.15 0.00 0.87 -1.49 0.26 113.55 113.33 1vnd h SER 44 Ca -0.02 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.31 1vnd h SER 44 Cb 1.35 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.31 1vnd h SER 44 CO 0.05 0.77 -0.90 0.25 -0.53 0.00 0.00 176.83 176.48 1vnd h LEU 45 N 0.00 0.70 0.00 2.23 5.85 -1.45 -3.37 115.31 119.26 1vnd h LEU 45 Ca -0.12 -0.52 0.00 0.00 0.84 0.00 0.00 57.88 58.09 1vnd h LEU 45 Cb 1.69 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.51 1vnd h LEU 45 CO 0.08 1.31 -1.61 2.30 -0.34 0.00 0.00 178.44 180.18 1vnd n ILE 46 N -3.83 0.00 -0.98 4.05 -5.35 -1.01 -5.07 119.36 107.18 1vnd n ILE 46 Ca -0.07 -0.33 0.00 0.00 -0.27 0.00 0.00 62.75 62.07 1vnd n ILE 46 Cb 0.81 0.22 0.00 0.00 -1.74 0.00 0.00 39.64 38.93 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 -1.97 0.00 -0.90 6.28 3.00 -0.75 -5.01 116.66 117.31 1vnd n ARG 47 Ca -0.02 0.29 0.00 0.00 -0.00 0.00 0.00 57.85 58.12 1vnd n ARG 47 Cb 0.38 -0.98 0.00 0.00 0.00 0.00 0.00 32.46 31.86 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 -0.69 0.00 -4.78 6.15 4.77 0.00 -5.03 117.00 117.42 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 0.33 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.35 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 -1.18 4.66 0.63 -5.08 -4.23 -1.26 -4.72 115.64 104.47 1vnd s THR 49 Ca 0.00 -0.51 0.42 0.00 -1.18 0.00 0.00 61.69 60.42 1vnd s THR 49 Cb 0.00 -3.16 0.42 0.00 1.34 0.00 0.00 72.50 71.10 1vnd s THR 49 CO 0.00 0.29 2.30 -0.65 -0.54 0.00 0.00 174.62 176.01 1vnd h PRO 50 N 3.87 0.00 0.08 3.99 0.11 -1.95 -3.06 132.00 135.04 1vnd h PRO 50 Ca -0.48 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.32 1vnd h PRO 50 Cb 1.18 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1vnd h PRO 50 CO 0.63 0.00 -1.66 0.00 -0.21 0.00 0.00 178.00 176.77 1vnd h THR 51 N 0.00 0.98 0.04 -1.15 1.03 -1.99 -2.98 112.91 108.84 1vnd h THR 51 Ca 0.00 -2.70 -0.23 0.00 -0.01 0.00 0.00 66.41 63.47 1vnd h THR 51 Cb 0.07 2.61 -0.02 0.00 -1.07 0.00 0.00 68.15 69.74 1vnd h THR 51 CO 0.00 0.75 -1.07 0.06 -0.01 0.00 0.00 175.52 175.24 1vnd h GLN 52 N 0.05 0.08 -0.42 0.00 3.07 -1.97 -2.95 115.11 112.97 1vnd h GLN 52 Ca -0.28 -0.14 -0.14 0.00 0.09 0.00 0.00 58.65 58.17 1vnd h GLN 52 Cb 2.01 0.05 -0.01 0.00 0.08 0.00 0.00 27.48 29.61 1vnd h GLN 52 CO 0.12 1.07 -0.31 -0.24 0.09 0.00 0.00 178.83 179.56 1vnd h VAL 53 N 0.02 1.27 -0.63 1.86 3.04 -1.69 -2.52 116.25 117.61 1vnd h VAL 53 Ca -0.05 -1.47 0.09 0.00 -1.01 0.00 0.00 66.70 64.25 1vnd h VAL 53 Cb 1.83 1.27 -0.07 0.00 -2.01 0.00 0.00 31.29 32.32 1vnd h VAL 53 CO 0.15 0.50 0.28 0.11 -1.01 0.00 0.00 177.57 177.60 1vnd h LYS 54 N 0.78 0.48 -0.00 4.17 1.79 -1.56 -2.95 116.57 119.27 1vnd h LYS 54 Ca 0.08 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1vnd h LYS 54 Cb 0.88 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.43 1vnd h LYS 54 CO 0.08 0.31 -0.31 -0.89 -1.08 0.00 0.00 179.45 177.56 1vnd n ILE 55 N -4.93 0.00 0.02 1.86 5.41 -1.11 -2.44 119.36 118.17 1vnd n ILE 55 Ca 0.09 -0.03 -0.19 0.00 1.00 0.00 0.00 62.75 63.61 1vnd n ILE 55 Cb 0.25 0.10 -0.11 0.00 -0.71 0.00 0.00 39.64 39.18 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 0.32 0.86 -0.00 1.39 7.01 -1.34 -3.23 115.95 120.97 1vnd h TRP 56 Ca 0.00 -0.46 0.00 0.00 2.11 0.00 0.00 58.89 60.54 1vnd h TRP 56 Cb 0.48 -0.10 0.00 0.00 -2.10 0.00 0.00 29.16 27.44 1vnd h TRP 56 CO 0.00 1.29 -0.24 1.19 -2.79 0.00 0.00 178.44 177.89 1vnd n PHE 57 N -4.02 0.00 0.02 2.65 3.72 -1.12 -2.62 117.46 116.09 1vnd n PHE 57 Ca -0.11 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.10 1vnd n PHE 57 Cb 0.78 -0.34 -0.10 0.00 -0.94 0.00 0.00 39.48 38.88 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 0.10 0.65 0.00 -1.08 4.15 -1.57 -3.37 115.11 113.98 1vnd h GLN 58 Ca 0.00 -0.67 0.00 0.00 0.77 0.00 0.00 58.65 58.75 1vnd h GLN 58 Cb 0.48 0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.35 1vnd h GLN 58 CO 0.00 1.27 -1.26 0.09 -1.93 0.00 0.00 178.83 177.00 1vnd n ASN 59 N -3.96 0.59 0.10 -0.69 3.02 -1.22 -4.34 115.26 108.76 1vnd n ASN 59 Ca -0.10 0.15 -0.16 0.00 -0.03 0.00 0.00 54.58 54.44 1vnd n ASN 59 Cb 0.81 0.90 -0.13 0.00 -0.61 0.00 0.00 39.78 40.75 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 0.52 -0.63 3.10 3.86 -1.69 -3.35 115.15 116.96 1vnd h HIS 60 Ca 0.00 -0.37 -0.37 0.00 -1.16 0.00 0.00 60.37 58.48 1vnd h HIS 60 Cb 0.95 -0.03 -0.13 0.00 1.06 0.00 0.00 27.41 29.26 1vnd h HIS 60 CO 0.00 1.27 0.13 2.89 0.86 0.00 0.00 177.93 183.08 1vnd n ARG 61 N -3.57 2.17 -3.18 2.45 1.85 -1.26 -4.69 116.66 110.43 1vnd n ARG 61 Ca -0.08 -1.76 -0.18 0.00 -1.00 0.00 0.00 57.85 54.83 1vnd n ARG 61 Cb 1.00 -2.01 -0.03 0.00 -1.05 0.00 0.00 32.46 30.37 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 1.37 0.10 -3.10 2.89 9.36 -1.26 -4.97 117.16 121.56 1vnd n TYR 62 Ca 0.43 -3.78 -0.22 0.00 3.32 0.00 0.00 57.90 57.65 1vnd n TYR 62 Cb 0.67 -0.39 0.02 0.00 -0.63 0.00 0.00 39.34 39.01 1vnd n TYR 62 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 1vnd n LYS 63 N 0.37 -4.16 0.14 2.98 2.85 -1.26 -4.87 118.16 114.21 1vnd n LYS 63 Ca 0.24 0.74 0.13 0.00 -1.05 0.00 0.00 58.31 58.37 1vnd n LYS 63 Cb 0.65 -5.53 0.33 0.00 -0.65 0.00 0.00 35.03 29.83 1vnd n LYS 63 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 1vnd h THR 64 N -1.14 0.00 -1.21 0.58 2.02 -1.92 -3.35 112.91 107.89 1vnd h THR 64 Ca -0.48 -0.64 -0.75 0.00 0.77 0.00 0.00 66.41 65.31 1vnd h THR 64 Cb 1.33 1.64 -0.13 0.00 -1.74 0.00 0.00 68.15 69.25 1vnd h THR 64 CO 0.55 0.00 2.34 0.29 0.37 0.00 0.00 175.52 179.06 1vnd n LYS 65 N -2.53 4.49 0.09 6.66 4.76 -1.26 -3.66 118.16 126.71 1vnd n LYS 65 Ca 0.05 -3.50 0.00 0.00 -2.87 0.00 0.00 58.31 51.99 1vnd n LYS 65 Cb 0.46 -2.67 0.00 0.00 -1.84 0.00 0.00 35.03 30.99 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 1.97 0.00 -3.35 1.97 0.63 -1.26 -4.96 116.66 111.67 1vnd n ARG 66 Ca 0.59 0.00 -0.45 0.00 -0.92 0.00 0.00 57.85 57.07 1vnd n ARG 66 Cb 0.26 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 33.12 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 -2.00 3.74 -0.55 5.13 0.00 -1.24 -4.96 121.76 121.88 1vnd s ALA 67 Ca 0.00 -2.78 0.01 0.00 0.00 0.00 0.00 51.96 49.19 1vnd s ALA 67 Cb 0.00 -3.27 0.46 0.00 0.00 0.00 0.00 23.12 20.31 1vnd s ALA 67 CO 0.00 -2.08 1.80 1.04 0.00 0.00 0.00 175.76 176.52 1vnd n GLN 68 N 4.80 2.88 -2.98 0.00 6.02 -1.26 -4.32 117.38 122.53 1vnd n GLN 68 Ca -0.05 -3.50 -0.14 0.00 -0.01 0.00 0.00 57.00 53.30 1vnd n GLN 68 Cb 0.42 -2.27 0.02 0.00 1.02 0.00 0.00 30.24 29.43 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 -0.74 -4.25 1.08 5.15 -1.26 -5.01 115.26 109.35 1vnd n ASN 69 Ca 0.57 -3.29 -0.43 0.00 -0.60 0.00 0.00 54.58 50.83 1vnd n ASN 69 Cb 0.79 0.57 -0.06 0.00 -0.53 0.00 0.00 39.78 40.55 1vnd n ASN 69 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1vnd s GLU 70 N -1.05 2.84 0.08 1.20 2.02 -1.26 -4.99 118.70 117.55 1vnd s GLU 70 Ca 0.32 -1.97 0.01 0.00 0.02 0.00 0.00 54.97 53.34 1vnd s GLU 70 Cb 0.31 -4.10 -0.00 0.00 0.10 0.00 0.00 34.13 30.43 1vnd s GLU 70 CO -0.08 -1.25 0.03 1.63 0.02 0.00 0.00 175.26 175.62 1vnd n LYS 71 N 4.66 0.79 -0.79 1.61 4.76 -1.26 -4.46 118.16 123.47 1vnd n LYS 71 Ca -0.03 -0.72 0.00 0.00 -2.87 0.00 0.00 58.31 54.69 1vnd n LYS 71 Cb 0.41 0.41 0.00 0.00 -1.84 0.00 0.00 35.03 34.01 1vnd n LYS 71 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1vnd n GLY 72 N 1.52 0.65 0.12 0.72 0.00 -1.25 -3.49 105.19 103.46 1vnd n GLY 72 Ca -0.01 -0.36 -0.17 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.52 1.00 -2.65 1.61 9.36 -1.26 -1.98 117.16 122.71 1vnd n TYR 73 Ca 0.00 0.25 -0.20 0.00 3.32 0.00 0.00 57.90 61.27 1vnd n TYR 73 Cb 0.22 -1.14 0.00 0.00 -0.63 0.00 0.00 39.34 37.79 1vnd n TYR 73 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1vnd n GLU 74 N -3.30 2.36 -3.13 2.98 1.02 -1.26 -4.94 120.64 114.37 1vnd n GLU 74 Ca -0.29 -3.99 0.03 0.00 -0.02 0.00 0.00 57.16 52.89 1vnd n GLU 74 Cb 1.05 -1.83 -0.00 0.00 -0.02 0.00 0.00 31.44 30.64 1vnd n GLU 74 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1vnd s GLY 75 N -3.29 -1.24 0.31 0.62 0.00 -1.25 -5.17 107.32 97.30 1vnd s GLY 75 Ca 0.40 1.00 0.07 0.00 0.00 0.00 0.00 44.72 46.19 1vnd s GLY 75 CO -0.09 3.81 -0.05 0.30 0.00 0.00 0.00 173.10 177.07 1vnd s HIS 76 N 2.48 2.12 -2.00 1.90 3.76 -1.26 -4.47 115.29 117.82 1vnd s HIS 76 Ca 0.15 -0.66 0.14 0.00 -0.15 0.00 0.00 55.06 54.54 1vnd s HIS 76 Cb -0.06 -1.25 0.84 0.00 1.11 0.00 0.00 32.58 33.22 1vnd s HIS 76 CO -0.19 0.35 1.26 -2.30 -0.85 0.00 0.00 174.74 173.01