#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 0.00 -3.80 0.00 7.64 -1.26 -4.99 113.62 111.21 1vnd n SER 2 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 1vnd n SER 2 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 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 -1.36 -0.13 0.00 6.43 2.15 -1.23 -4.59 116.67 117.94 1vnd s ASP 3 Ca 0.00 0.04 0.00 0.00 0.43 0.00 0.00 52.55 53.02 1vnd s ASP 3 Cb 0.00 0.30 0.00 0.00 -0.30 0.00 0.00 42.92 42.92 1vnd s ASP 3 CO 0.00 -0.38 0.00 0.61 -0.17 0.00 0.00 175.17 175.23 1vnd n GLY 4 N 1.51 1.79 0.11 2.66 0.00 -1.26 -4.72 105.19 105.28 1vnd n GLY 4 Ca -0.21 -0.80 -0.20 0.00 0.00 0.00 0.00 46.02 44.81 1vnd n GLY 4 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1vnd h LEU 5 N 0.00 0.20 -8.53 0.99 3.38 -2.01 -3.42 115.31 105.93 1vnd h LEU 5 Ca 0.00 -0.79 -0.56 0.00 0.09 0.00 0.00 57.88 56.63 1vnd h LEU 5 Cb 0.00 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 40.61 1vnd h LEU 5 CO 0.00 1.45 0.95 -2.16 0.09 0.00 0.00 178.44 178.77 1vnd s PRO 6 N -2.39 3.43 -0.85 1.13 0.04 -1.26 -4.94 135.00 130.15 1vnd s PRO 6 Ca -0.22 0.10 0.01 0.00 0.04 0.00 0.00 61.00 60.92 1vnd s PRO 6 Cb 0.03 -4.05 0.34 0.00 0.04 0.00 0.00 34.50 30.85 1vnd s PRO 6 CO 0.70 -1.76 1.60 0.27 0.04 0.00 0.00 177.00 177.85 1vnd n ASN 7 N 8.54 6.51 -4.12 6.66 0.23 -1.26 -3.48 115.26 128.34 1vnd n ASN 7 Ca 0.07 -3.71 -0.38 0.00 -0.53 0.00 0.00 54.58 50.03 1vnd n ASN 7 Cb 0.49 -0.96 -0.09 0.00 -2.08 0.00 0.00 39.78 37.14 1vnd n ASN 7 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1vnd s LYS 8 N -4.04 2.68 -0.61 -3.83 3.01 -1.26 -4.97 119.74 110.72 1vnd s LYS 8 Ca 0.44 -2.52 0.05 0.00 -1.01 0.00 0.00 55.97 52.93 1vnd s LYS 8 Cb 0.26 -3.81 0.20 0.00 -1.01 0.00 0.00 37.83 33.48 1vnd s LYS 8 CO -0.18 -1.19 0.55 1.63 0.51 0.00 0.00 175.35 176.67 1vnd n LYS 9 N 3.54 1.67 -3.51 1.68 4.76 -1.26 -5.04 118.16 120.01 1vnd n LYS 9 Ca 0.08 -4.22 -0.17 0.00 -2.87 0.00 0.00 58.31 51.13 1vnd n LYS 9 Cb 0.39 -2.09 -0.05 0.00 -1.84 0.00 0.00 35.03 31.44 1vnd n LYS 9 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 1vnd s ARG 10 N -1.49 1.10 0.00 1.97 1.70 -1.26 -5.12 118.95 115.84 1vnd s ARG 10 Ca 0.31 0.09 0.00 0.00 -0.47 0.00 0.00 55.73 55.67 1vnd s ARG 10 Cb 0.04 0.51 0.00 0.00 -0.57 0.00 0.00 34.95 34.94 1vnd s ARG 10 CO -0.13 -0.38 0.00 0.36 -1.08 0.00 0.00 175.30 174.08 1vnd n LYS 11 N 0.64 0.00 -2.12 3.89 2.85 -1.26 -5.18 118.16 116.98 1vnd n LYS 11 Ca -0.19 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.07 1vnd n LYS 11 Cb 0.59 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.97 1vnd n LYS 11 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 1vnd n ARG 12 N 0.00 -5.17 -3.63 -1.58 0.63 -1.26 -5.04 116.66 100.61 1vnd n ARG 12 Ca 0.00 3.66 -0.37 0.00 -0.92 0.00 0.00 57.85 60.22 1vnd n ARG 12 Cb 0.00 -4.12 -0.06 0.00 0.45 0.00 0.00 32.46 28.73 1vnd n ARG 12 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1vnd s ARG 13 N -0.50 3.92 -0.06 -0.14 1.81 -1.26 -5.07 118.95 117.65 1vnd s ARG 13 Ca 0.00 0.11 0.01 0.00 -1.72 0.00 0.00 55.73 54.12 1vnd s ARG 13 Cb 0.00 -3.30 0.02 0.00 -0.45 0.00 0.00 34.95 31.22 1vnd s ARG 13 CO 0.00 0.53 -0.06 0.14 -0.68 0.00 0.00 175.30 175.23 1vnd s VAL 14 N -0.41 0.70 -0.05 3.52 -7.23 -1.26 -5.11 120.40 110.56 1vnd s VAL 14 Ca 0.18 -0.18 -0.02 0.00 -1.81 0.00 0.00 61.98 60.15 1vnd s VAL 14 Cb -0.14 -0.73 0.03 0.00 0.56 0.00 0.00 36.38 36.11 1vnd s VAL 14 CO 0.06 0.28 0.08 -0.76 -0.31 0.00 0.00 175.10 174.46 1vnd s LEU 15 N 1.16 0.38 0.06 1.32 1.02 -1.26 -5.16 118.68 116.20 1vnd s LEU 15 Ca -0.07 0.15 -0.18 0.00 0.02 0.00 0.00 54.13 54.06 1vnd s LEU 15 Cb -0.14 0.02 -0.06 0.00 0.02 0.00 0.00 46.19 46.03 1vnd s LEU 15 CO -0.01 -0.21 0.52 -0.36 0.02 0.00 0.00 176.35 176.31 1vnd s PHE 16 N 1.82 3.77 0.00 0.29 0.40 -1.26 -5.11 117.98 117.90 1vnd s PHE 16 Ca -0.00 1.18 0.00 0.00 -0.60 0.00 0.00 56.93 57.51 1vnd s PHE 16 Cb -0.12 -2.43 0.00 0.00 0.51 0.00 0.00 43.02 40.98 1vnd s PHE 16 CO -0.04 0.60 0.00 2.41 0.70 0.00 0.00 175.22 178.89 1vnd n THR 17 N 1.69 0.00 1.22 0.64 -1.04 -1.26 -5.00 114.28 110.53 1vnd n THR 17 Ca -0.11 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 61.93 1vnd n THR 17 Cb 0.51 -0.39 0.09 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 -0.32 1.55 0.06 -2.82 -0.00 -1.26 -2.72 118.16 112.65 1vnd n LYS 18 Ca 0.00 -0.71 -0.23 0.00 -0.00 0.00 0.00 58.31 57.37 1vnd n LYS 18 Cb 0.00 -1.25 -0.15 0.00 -0.00 0.00 0.00 35.03 33.63 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 3.19 0.14 0.05 0.58 0.00 -1.99 -3.37 119.26 117.86 1vnd h ALA 19 Ca 0.00 -1.11 -0.00 0.00 0.00 0.00 0.00 54.91 53.80 1vnd h ALA 19 Cb 0.38 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1vnd h ALA 19 CO 0.02 0.96 -0.02 1.96 0.00 0.00 0.00 179.25 182.17 1vnd h GLN 20 N 0.03 -0.07 -0.66 0.00 1.08 -1.89 -3.02 115.11 110.58 1vnd h GLN 20 Ca -0.33 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 56.80 1vnd h GLN 20 Cb 2.04 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 29.45 1vnd h GLN 20 CO 0.16 0.47 0.13 1.79 -0.95 0.00 0.00 178.83 180.43 1vnd h THR 21 N -0.95 1.26 0.24 -0.54 1.35 -1.83 -3.06 112.91 109.38 1vnd h THR 21 Ca -0.01 -1.00 0.01 0.00 -0.55 0.00 0.00 66.41 64.86 1vnd h THR 21 Cb 0.57 0.63 -0.03 0.00 -1.73 0.00 0.00 68.15 67.59 1vnd h THR 21 CO 0.01 0.38 -0.36 0.22 -0.25 0.00 0.00 175.52 175.52 1vnd h TYR 22 N 1.00 -0.97 -0.66 4.73 3.20 -1.73 -3.01 116.97 119.53 1vnd h TYR 22 Ca 0.20 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.00 1vnd h TYR 22 Cb 0.41 0.39 -0.03 0.00 1.54 0.00 0.00 36.73 39.05 1vnd h TYR 22 CO 0.03 -0.48 0.09 0.93 -1.64 0.00 0.00 178.16 177.09 1vnd h GLU 23 N -0.66 1.10 -0.56 1.82 4.39 -1.54 -2.80 114.58 116.33 1vnd h GLU 23 Ca 0.00 -0.31 -0.09 0.00 0.34 0.00 0.00 59.36 59.30 1vnd h GLU 23 Cb 0.64 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.15 1vnd h GLU 23 CO -0.13 1.02 -0.02 -0.07 -1.16 0.00 0.00 179.01 178.65 1vnd h LEU 24 N 1.02 0.96 -0.38 1.33 3.38 -1.59 -3.05 115.31 116.98 1vnd h LEU 24 Ca 0.20 -0.27 -0.14 0.00 0.09 0.00 0.00 57.88 57.76 1vnd h LEU 24 Cb 0.47 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1vnd h LEU 24 CO 0.02 1.02 -0.67 -0.33 0.09 0.00 0.00 178.44 178.57 1vnd h GLU 25 N 0.89 0.00 0.16 1.13 5.08 -1.54 -3.04 114.58 117.26 1vnd h GLU 25 Ca 0.16 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1vnd h GLU 25 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1vnd h GLU 25 CO 0.03 0.67 -0.08 0.00 -1.00 0.00 0.00 179.01 178.63 1vnd h ARG 26 N 0.00 -0.20 -0.00 2.33 3.08 -1.46 -3.11 114.38 115.00 1vnd h ARG 26 Ca -0.01 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1vnd h ARG 26 Cb 1.34 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.44 1vnd h ARG 26 CO 0.09 0.16 -0.16 2.89 -1.07 0.00 0.00 179.97 181.88 1vnd n ARG 27 N -5.01 0.59 0.11 0.04 1.85 -1.16 -2.56 116.66 110.52 1vnd n ARG 27 Ca -0.09 -0.23 -0.04 0.00 -1.00 0.00 0.00 57.85 56.49 1vnd n ARG 27 Cb 0.24 -1.50 0.09 0.00 -1.05 0.00 0.00 32.46 30.24 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 0.56 0.11 -0.00 2.89 3.57 -1.62 -1.53 116.94 120.91 1vnd h PHE 28 Ca 0.00 -0.05 -0.16 0.00 3.53 0.00 0.00 57.97 61.29 1vnd h PHE 28 Cb 0.40 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 1vnd h PHE 28 CO 0.00 0.77 -0.73 0.00 -2.23 0.00 0.00 178.31 176.12 1vnd h ARG 29 N 0.05 0.04 0.00 1.11 2.47 -1.42 -3.36 114.38 113.27 1vnd h ARG 29 Ca -0.01 -0.04 -0.14 0.00 -1.26 0.00 0.00 59.98 58.53 1vnd h ARG 29 Cb 1.27 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 29.57 1vnd h ARG 29 CO 0.10 0.75 -1.63 0.94 0.56 0.00 0.00 179.97 180.69 1vnd n GLN 30 N -3.69 0.64 -4.24 0.04 -0.06 -1.12 -5.00 117.38 103.95 1vnd n GLN 30 Ca -0.01 0.09 -0.14 0.00 -2.00 0.00 0.00 57.00 54.94 1vnd n GLN 30 Cb 0.71 -1.71 -0.10 0.00 -4.06 0.00 0.00 30.24 25.08 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 -3.04 1.31 -0.17 3.69 -1.52 -0.58 -5.06 119.66 114.30 1vnd s GLN 31 Ca -0.05 -1.71 -0.00 0.00 -1.95 0.00 0.00 55.36 51.65 1vnd s GLN 31 Cb 0.09 0.16 -0.10 0.00 -0.22 0.00 0.00 33.01 32.94 1vnd s GLN 31 CO 0.83 -0.40 -0.16 0.54 -0.25 0.00 0.00 175.29 175.85 1vnd n ARG 32 N -0.36 0.41 -4.07 2.91 1.74 -1.26 -4.42 116.66 111.61 1vnd n ARG 32 Ca 0.02 0.11 -0.13 0.00 -0.77 0.00 0.00 57.85 57.08 1vnd n ARG 32 Cb 0.66 -1.30 -0.11 0.00 -1.02 0.00 0.00 32.46 30.68 1vnd n ARG 32 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 1vnd s TYR 33 N -2.33 0.68 -0.27 -1.55 -0.85 -1.26 -5.05 117.35 106.73 1vnd s TYR 33 Ca -0.23 -0.53 -0.10 0.00 -0.52 0.00 0.00 57.07 55.70 1vnd s TYR 33 Cb 0.06 -0.41 0.11 0.00 0.38 0.00 0.00 41.96 42.11 1vnd s TYR 33 CO 0.37 -0.09 0.58 -0.48 -1.52 0.00 0.00 175.55 174.41 1vnd s LEU 34 N -1.68 -0.96 0.41 -3.49 -0.00 -1.26 -5.16 118.68 106.54 1vnd s LEU 34 Ca -0.09 1.39 0.01 0.00 -0.00 0.00 0.00 54.13 55.45 1vnd s LEU 34 Cb -0.09 2.02 -0.01 0.00 -0.00 0.00 0.00 46.19 48.11 1vnd s LEU 34 CO 0.00 -0.22 0.61 -0.94 -0.00 0.00 0.00 176.35 175.80 1vnd s SER 35 N 2.66 5.98 0.38 1.48 1.04 -1.26 -4.76 113.70 119.22 1vnd s SER 35 Ca -0.05 0.28 0.21 0.00 0.48 0.00 0.00 55.95 56.86 1vnd s SER 35 Cb -0.11 -1.64 1.24 0.00 0.10 0.00 0.00 66.02 65.61 1vnd s SER 35 CO -0.17 -0.56 1.65 0.00 0.98 0.00 0.00 173.24 175.13 1vnd h ALA 36 N 0.55 2.26 -0.18 5.32 0.00 -2.02 -2.28 119.26 122.92 1vnd h ALA 36 Ca -0.47 0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.48 1vnd h ALA 36 Cb 1.24 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 1vnd h ALA 36 CO 0.58 -0.90 -0.43 -1.35 0.00 0.00 0.00 179.25 177.16 1vnd h PRO 37 N 0.20 0.42 0.03 0.00 0.11 -1.99 -2.95 132.00 127.81 1vnd h PRO 37 Ca 0.77 -0.21 -0.34 0.00 0.11 0.00 0.00 66.00 66.33 1vnd h PRO 37 Cb 2.04 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 33.11 1vnd h PRO 37 CO -0.55 0.77 -2.02 0.39 -0.21 0.00 0.00 178.00 176.38 1vnd n GLU 38 N -4.01 0.68 -0.19 1.05 -0.58 -1.15 -4.07 120.64 112.37 1vnd n GLU 38 Ca -0.02 0.20 -0.08 0.00 -0.42 0.00 0.00 57.16 56.85 1vnd n GLU 38 Cb 0.51 -1.68 0.02 0.00 -0.57 0.00 0.00 31.44 29.72 1vnd n GLU 38 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1vnd h ARG 39 N 0.02 0.80 0.00 3.49 2.43 -1.50 -2.87 114.38 116.75 1vnd h ARG 39 Ca -0.41 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 58.61 1vnd h ARG 39 Cb 2.06 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 31.48 1vnd h ARG 39 CO 0.05 0.70 -0.45 0.93 -1.51 0.00 0.00 179.97 179.69 1vnd h GLU 40 N 0.73 0.00 0.00 0.20 4.39 -1.76 -3.20 114.58 114.94 1vnd h GLU 40 Ca 0.18 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.79 1vnd h GLU 40 Cb 0.20 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 1vnd h GLU 40 CO -0.01 0.00 -0.44 1.25 -1.16 0.00 0.00 179.01 178.64 1vnd h HIS 41 N 0.00 0.00 0.34 4.33 2.76 -1.70 -2.49 115.15 118.40 1vnd h HIS 41 Ca 0.00 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 1vnd h HIS 41 Cb 0.98 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.95 1vnd h HIS 41 CO 0.00 0.44 -0.17 1.25 -1.30 0.00 0.00 177.93 178.16 1vnd h LEU 42 N 0.00 -0.39 -1.76 0.26 7.12 -1.54 -2.96 115.31 116.04 1vnd h LEU 42 Ca -0.00 -0.16 -0.03 0.00 0.13 0.00 0.00 57.88 57.81 1vnd h LEU 42 Cb 1.23 0.10 -0.00 0.00 -0.53 0.00 0.00 40.66 41.46 1vnd h LEU 42 CO 0.06 0.02 -0.15 0.00 -0.13 0.00 0.00 178.44 178.23 1vnd h ALA 43 N -0.46 1.61 0.15 1.25 0.00 -1.63 -1.19 119.26 119.00 1vnd h ALA 43 Ca -0.05 -0.14 -0.33 0.00 0.00 0.00 0.00 54.91 54.39 1vnd h ALA 43 Cb 0.53 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1vnd h ALA 43 CO 0.08 0.19 -1.67 0.77 0.00 0.00 0.00 179.25 178.62 1vnd h SER 44 N 0.00 0.51 1.38 0.00 0.02 -1.56 -0.03 113.55 113.88 1vnd h SER 44 Ca -0.00 -0.76 -0.05 0.00 -0.84 0.00 0.00 61.79 60.15 1vnd h SER 44 Cb 0.29 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 1vnd h SER 44 CO 0.02 1.64 -0.64 -0.07 -1.14 0.00 0.00 176.83 176.64 1vnd h LEU 45 N 0.09 0.00 0.00 5.07 3.38 -1.52 -3.32 115.31 119.01 1vnd h LEU 45 Ca -0.30 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 1vnd h LEU 45 Cb 2.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.81 1vnd h LEU 45 CO 0.17 0.18 -1.80 2.30 0.09 0.00 0.00 178.44 179.38 1vnd n ILE 46 N -2.96 0.16 -1.33 1.22 -5.35 -0.45 -5.05 119.36 105.60 1vnd n ILE 46 Ca 0.00 -0.52 0.00 0.00 -0.27 0.00 0.00 62.75 61.96 1vnd n ILE 46 Cb 0.62 -0.08 0.00 0.00 -1.74 0.00 0.00 39.64 38.44 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 -2.36 0.00 -2.11 6.28 0.00 -0.99 -4.97 116.66 112.51 1vnd n ARG 47 Ca -0.04 0.07 -0.01 0.00 -0.00 0.00 0.00 57.85 57.88 1vnd n ARG 47 Cb 0.58 -1.33 -0.00 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 -1.26 0.00 -4.90 6.15 4.77 -0.06 -5.03 117.00 116.68 1vnd n LEU 48 Ca 0.00 -0.15 -0.32 0.00 -0.03 0.00 0.00 56.01 55.51 1vnd n LEU 48 Cb 0.44 0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 41.55 1vnd n LEU 48 CO 0.00 -0.02 -0.01 0.42 -1.33 0.00 0.00 177.39 176.45 1vnd s THR 49 N -1.86 5.22 0.55 -5.08 -4.23 -1.26 -4.64 115.64 104.33 1vnd s THR 49 Ca 0.01 0.03 0.37 0.00 -1.18 0.00 0.00 61.69 60.93 1vnd s THR 49 Cb 0.00 -3.62 0.40 0.00 1.34 0.00 0.00 72.50 70.62 1vnd s THR 49 CO 0.01 0.14 2.26 -0.65 -0.54 0.00 0.00 174.62 175.84 1vnd h PRO 50 N 3.16 0.00 0.00 3.99 0.11 -1.97 -3.03 132.00 134.26 1vnd h PRO 50 Ca -0.47 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.40 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 0.02 -1.37 0.00 -0.21 0.00 0.00 178.00 177.15 1vnd h THR 51 N 0.00 1.07 0.03 -1.15 1.03 -1.99 -3.02 112.91 108.88 1vnd h THR 51 Ca -0.00 -2.80 -0.24 0.00 -0.01 0.00 0.00 66.41 63.36 1vnd h THR 51 Cb 0.11 2.50 -0.03 0.00 -1.07 0.00 0.00 68.15 69.66 1vnd h THR 51 CO 0.00 0.61 -1.20 0.06 -0.01 0.00 0.00 175.52 174.98 1vnd h GLN 52 N 0.00 0.07 -0.33 0.00 3.07 -1.96 -2.97 115.11 112.99 1vnd h GLN 52 Ca -0.17 -0.11 -0.10 0.00 0.09 0.00 0.00 58.65 58.36 1vnd h GLN 52 Cb 1.84 0.04 -0.01 0.00 0.08 0.00 0.00 27.48 29.43 1vnd h GLN 52 CO 0.09 0.97 -0.17 -0.24 0.09 0.00 0.00 178.83 179.57 1vnd h VAL 53 N 0.02 1.29 -0.38 1.86 3.04 -1.66 -2.39 116.25 118.02 1vnd h VAL 53 Ca -0.09 -1.29 -0.11 0.00 -1.01 0.00 0.00 66.70 64.20 1vnd h VAL 53 Cb 1.86 1.42 -0.02 0.00 -2.01 0.00 0.00 31.29 32.55 1vnd h VAL 53 CO 0.14 0.42 -0.20 0.50 -1.01 0.00 0.00 177.57 177.41 1vnd h LYS 54 N 0.46 0.74 -0.00 4.17 1.63 -1.63 -3.01 116.57 118.92 1vnd h LYS 54 Ca 0.07 -0.28 0.00 0.00 -0.85 0.00 0.00 60.65 59.59 1vnd h LYS 54 Cb 0.71 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.30 1vnd h LYS 54 CO 0.05 0.88 -0.24 -0.89 -3.45 0.00 0.00 179.45 175.80 1vnd n ILE 55 N -4.12 0.00 0.02 2.00 5.41 -1.12 -2.69 119.36 118.85 1vnd n ILE 55 Ca 0.00 -0.08 -0.19 0.00 1.00 0.00 0.00 62.75 63.48 1vnd n ILE 55 Cb 0.41 0.20 -0.10 0.00 -0.71 0.00 0.00 39.64 39.44 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 0.78 0.91 0.00 1.39 7.01 -1.35 -3.04 115.95 121.65 1vnd h TRP 56 Ca 0.00 -0.47 0.00 0.00 2.11 0.00 0.00 58.89 60.53 1vnd h TRP 56 Cb 0.46 -0.11 0.00 0.00 -2.10 0.00 0.00 29.16 27.41 1vnd h TRP 56 CO 0.00 1.30 0.00 0.74 -2.79 0.00 0.00 178.44 177.69 1vnd h PHE 57 N 0.26 0.00 0.05 2.65 -1.00 -1.58 -2.25 116.94 115.06 1vnd h PHE 57 Ca -0.10 0.00 -0.27 0.00 2.81 0.00 0.00 57.97 60.42 1vnd h PHE 57 Cb 1.51 0.00 0.02 0.00 3.61 0.00 0.00 35.95 41.09 1vnd h PHE 57 CO 0.11 0.00 -1.09 0.37 -1.61 0.00 0.00 178.31 176.09 1vnd h GLN 58 N 0.00 0.57 0.00 1.51 4.15 -1.61 -3.39 115.11 116.34 1vnd h GLN 58 Ca 0.00 -0.68 -0.31 0.00 0.77 0.00 0.00 58.65 58.44 1vnd h GLN 58 Cb 0.79 0.21 -0.05 0.00 0.21 0.00 0.00 27.48 28.63 1vnd h GLN 58 CO 0.00 1.28 -1.84 0.09 -1.93 0.00 0.00 178.83 176.43 1vnd n ASN 59 N -3.78 0.75 -1.71 -0.69 3.02 -1.15 -4.49 115.26 107.21 1vnd n ASN 59 Ca -0.10 0.33 -0.14 0.00 -0.03 0.00 0.00 54.58 54.64 1vnd n ASN 59 Cb 0.91 0.10 0.08 0.00 -0.61 0.00 0.00 39.78 40.26 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 -3.00 1.60 -0.24 3.10 -0.00 -0.85 -4.79 115.22 111.04 1vnd n HIS 60 Ca -0.20 -1.43 0.23 0.00 0.46 0.00 0.00 57.72 56.78 1vnd n HIS 60 Cb 1.07 -0.72 0.41 0.00 -0.12 0.00 0.00 29.99 30.63 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 -0.18 -0.04 0.00 1.57 -4.01 -1.26 -4.82 116.66 107.92 1vnd n ARG 61 Ca 0.31 0.89 0.00 0.00 -1.04 0.00 0.00 57.85 58.01 1vnd n ARG 61 Cb 0.96 -1.64 0.00 0.00 -3.04 0.00 0.00 32.46 28.74 1vnd n ARG 61 CO 0.00 0.00 0.00 0.66 -3.04 0.00 0.00 177.63 175.25 1vnd n TYR 62 N -4.35 0.00 -3.09 2.89 4.01 -1.26 -4.56 117.16 110.80 1vnd n TYR 62 Ca 0.26 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.85 1vnd n TYR 62 Cb 0.91 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.92 1vnd n TYR 62 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 1vnd n LYS 63 N 0.00 -2.49 -0.01 -0.72 -0.00 -1.26 -4.89 118.16 108.80 1vnd n LYS 63 Ca 0.00 0.18 -0.21 0.00 -0.00 0.00 0.00 58.31 58.28 1vnd n LYS 63 Cb 0.00 -4.74 -0.14 0.00 -0.00 0.00 0.00 35.03 30.15 1vnd n LYS 63 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1vnd n THR 64 N -3.19 1.75 -0.05 0.58 5.66 -1.26 -4.24 114.28 113.53 1vnd n THR 64 Ca 0.01 -0.63 -0.05 0.00 -3.05 0.00 0.00 64.05 60.32 1vnd n THR 64 Cb 0.51 -1.71 0.14 0.00 -1.55 0.00 0.00 70.33 67.72 1vnd n THR 64 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1vnd n LYS 65 N -3.49 2.21 -3.75 1.09 5.02 -1.26 -4.56 118.16 113.42 1vnd n LYS 65 Ca -0.34 -1.55 -0.16 0.00 -2.02 0.00 0.00 58.31 54.25 1vnd n LYS 65 Cb 1.03 -1.72 -0.16 0.00 -0.02 0.00 0.00 35.03 34.16 1vnd n LYS 65 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1vnd s ARG 66 N -1.76 -0.02 -0.66 1.97 1.04 -1.26 -5.13 118.95 113.14 1vnd s ARG 66 Ca 0.28 0.26 -0.15 0.00 -1.04 0.00 0.00 55.73 55.09 1vnd s ARG 66 Cb 0.23 -0.28 0.17 0.00 -2.04 0.00 0.00 34.95 33.03 1vnd s ARG 66 CO 0.07 -0.20 0.60 0.00 -0.04 0.00 0.00 175.30 175.73 1vnd s ALA 67 N 1.30 3.82 -0.46 7.88 0.00 -1.26 -4.90 121.76 128.14 1vnd s ALA 67 Ca -0.06 -2.88 0.16 0.00 0.00 0.00 0.00 51.96 49.17 1vnd s ALA 67 Cb -0.13 -3.34 0.63 0.00 0.00 0.00 0.00 23.12 20.28 1vnd s ALA 67 CO -0.04 -2.12 1.54 0.00 0.00 0.00 0.00 175.76 175.14 1vnd n GLN 68 N 4.67 3.63 -0.17 0.00 -0.00 -1.26 -4.64 117.38 119.62 1vnd n GLN 68 Ca -0.02 -2.86 -0.10 0.00 -0.00 0.00 0.00 57.00 54.03 1vnd n GLN 68 Cb 0.43 -1.91 0.00 0.00 -0.00 0.00 0.00 30.24 28.76 1vnd n GLN 68 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.06 174.11 1vnd h ASN 69 N 2.88 0.85 0.00 2.61 -1.07 -2.01 -3.50 115.58 115.34 1vnd h ASN 69 Ca 0.00 -0.30 0.00 0.00 0.07 0.00 0.00 56.30 56.07 1vnd h ASN 69 Cb 1.52 -0.23 0.00 0.00 -2.07 0.00 0.00 38.32 37.54 1vnd h ASN 69 CO 0.28 0.93 0.00 -1.84 0.07 0.00 0.00 177.43 176.87 1vnd n GLU 70 N -4.34 0.00 -4.05 4.14 0.28 -1.26 -3.76 120.64 111.65 1vnd n GLU 70 Ca 0.01 0.83 -0.32 0.00 -0.16 0.00 0.00 57.16 57.52 1vnd n GLU 70 Cb 0.30 -1.44 -0.16 0.00 1.43 0.00 0.00 31.44 31.58 1vnd n GLU 70 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 1vnd s LYS 71 N -2.76 2.32 -0.22 3.44 0.00 -1.26 -4.92 119.74 116.34 1vnd s LYS 71 Ca 0.00 -1.01 -0.03 0.00 0.00 0.00 0.00 55.97 54.93 1vnd s LYS 71 Cb 0.00 -2.61 0.00 0.00 0.00 0.00 0.00 37.83 35.22 1vnd s LYS 71 CO 0.00 -0.43 0.24 0.41 0.00 0.00 0.00 175.35 175.57 1vnd n GLY 72 N 4.59 -0.77 0.14 0.59 0.00 -1.26 -5.05 105.19 103.43 1vnd n GLY 72 Ca -0.16 0.21 -0.05 0.00 0.00 0.00 0.00 46.02 46.02 1vnd n GLY 72 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1vnd h TYR 73 N 0.43 -0.30 0.00 1.61 -0.00 -1.92 -3.50 116.97 113.29 1vnd h TYR 73 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.72 1vnd h TYR 73 Cb 0.70 0.10 0.00 0.00 -0.00 0.00 0.00 36.73 37.53 1vnd h TYR 73 CO 0.06 -0.19 0.00 -0.85 -0.00 0.00 0.00 178.16 177.18 1vnd n GLU 74 N -3.74 0.00 0.00 0.10 0.28 -1.26 -5.08 120.64 110.94 1vnd n GLU 74 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.96 1vnd n GLU 74 Cb 0.13 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.00 1vnd n GLU 74 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1vnd n GLY 75 N 0.00 1.92 3.77 -1.84 0.00 -1.26 -4.94 105.19 102.84 1vnd n GLY 75 Ca 0.00 -0.64 -0.22 0.00 0.00 0.00 0.00 46.02 45.16 1vnd n GLY 75 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1vnd s HIS 76 N 0.00 2.86 -2.00 1.61 0.00 -1.26 -5.34 115.29 111.15 1vnd s HIS 76 Ca 0.00 -0.26 0.11 0.00 -3.00 0.00 0.00 55.06 51.91 1vnd s HIS 76 Cb 0.00 -1.54 0.68 0.00 -4.00 0.00 0.00 32.58 27.72 1vnd s HIS 76 CO 0.00 0.40 1.12 -2.30 -1.00 0.00 0.00 174.74 172.95