#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dms s SER 2 N 0.00 2.46 0.43 1.61 1.04 -1.26 -5.13 113.70 112.84 2dms s SER 2 Ca 0.00 -0.42 0.04 0.00 0.48 0.00 0.00 55.95 56.05 2dms s SER 2 Cb 0.00 -1.07 -0.04 0.00 0.10 0.00 0.00 66.02 65.01 2dms s SER 2 CO 0.00 -0.04 0.04 -0.55 0.98 0.00 0.00 173.24 173.67 2dms s SER 3 N 1.31 3.48 0.00 7.02 0.15 -1.26 -5.11 113.70 119.29 2dms s SER 3 Ca -0.00 -1.53 0.00 0.00 0.70 0.00 0.00 55.95 55.12 2dms s SER 3 Cb -0.14 0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.32 2dms s SER 3 CO -0.06 -0.71 0.00 0.61 1.20 0.00 0.00 173.24 174.28 2dms n GLY 4 N -1.01 -3.42 2.36 9.45 0.00 -1.26 -4.81 105.19 106.50 2dms n GLY 4 Ca -0.10 -2.15 -0.17 0.00 0.00 0.00 0.00 46.02 43.60 2dms n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dms n SER 5 N 0.00 3.76 -3.93 1.61 3.41 -1.26 -4.94 113.62 112.27 2dms n SER 5 Ca 0.00 -3.23 -0.32 0.00 -0.26 0.00 0.00 58.87 55.06 2dms n SER 5 Cb 0.00 -0.41 -0.00 0.00 -0.26 0.00 0.00 64.21 63.54 2dms n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2dms n SER 6 N -0.59 -4.00 0.00 4.04 7.64 -1.26 -4.85 113.62 114.61 2dms n SER 6 Ca 0.31 -0.80 0.00 0.00 1.01 0.00 0.00 58.87 59.39 2dms n SER 6 Cb 0.86 -3.24 0.00 0.00 -1.01 0.00 0.00 64.21 60.82 2dms n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dms n GLY 7 N -1.45 2.41 3.12 0.23 0.00 -1.26 -5.16 105.19 103.08 2dms n GLY 7 Ca 0.05 -0.89 -0.09 0.00 0.00 0.00 0.00 46.02 45.09 2dms n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2dms s ARG 8 N -2.00 0.64 -1.31 1.61 6.06 -1.26 -4.88 118.95 117.81 2dms s ARG 8 Ca 0.00 -0.91 -0.11 0.00 -2.50 0.00 0.00 55.73 52.22 2dms s ARG 8 Cb 0.00 0.24 0.11 0.00 0.06 0.00 0.00 34.95 35.36 2dms s ARG 8 CO 0.00 -0.16 0.27 2.89 -2.50 0.00 0.00 175.30 175.80 2dms n ARG 9 N 0.46 -0.85 -4.55 5.12 1.85 -1.26 -4.88 116.66 112.55 2dms n ARG 9 Ca -0.17 0.09 -0.22 0.00 -1.00 0.00 0.00 57.85 56.54 2dms n ARG 9 Cb 0.60 -3.18 -0.14 0.00 -1.05 0.00 0.00 32.46 28.69 2dms n ARG 9 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 2dms s GLU 10 N -5.89 1.14 0.46 2.89 2.56 -1.26 -5.14 118.70 113.46 2dms s GLU 10 Ca 0.38 -0.72 -0.22 0.00 0.00 0.00 0.00 54.97 54.41 2dms s GLU 10 Cb -0.22 -1.16 -0.09 0.00 2.00 0.00 0.00 34.13 34.66 2dms s GLU 10 CO 0.76 0.30 1.04 0.50 -0.56 0.00 0.00 175.26 177.30 2dms s ARG 11 N -0.86 3.93 -0.42 4.30 6.06 -1.26 -4.95 118.95 125.74 2dms s ARG 11 Ca 0.04 1.42 0.00 0.00 -2.50 0.00 0.00 55.73 54.69 2dms s ARG 11 Cb -0.07 -2.25 0.38 0.00 0.06 0.00 0.00 34.95 33.06 2dms s ARG 11 CO 0.01 -0.33 1.90 2.41 -2.50 0.00 0.00 175.30 176.78 2dms n THR 12 N -0.65 2.96 -0.24 4.11 -1.04 -1.26 -4.70 114.28 113.46 2dms n THR 12 Ca 0.08 -1.93 0.16 0.00 -2.04 0.00 0.00 64.05 60.32 2dms n THR 12 Cb 0.51 -1.03 0.30 0.00 -1.82 0.00 0.00 70.33 68.30 2dms n THR 12 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2dms n THR 13 N -0.40 -0.30 -2.64 12.58 -1.04 -1.26 -3.55 114.28 117.67 2dms n THR 13 Ca 0.44 1.54 -0.42 0.00 -2.04 0.00 0.00 64.05 63.57 2dms n THR 13 Cb 0.88 -2.35 -0.03 0.00 -1.82 0.00 0.00 70.33 67.01 2dms n THR 13 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2dms s PHE 14 N -5.41 2.58 0.69 -1.42 0.08 -1.26 -5.02 117.98 108.23 2dms s PHE 14 Ca -0.08 0.19 -0.10 0.00 0.12 0.00 0.00 56.93 57.06 2dms s PHE 14 Cb 0.23 -4.44 0.03 0.00 -0.57 0.00 0.00 43.02 38.27 2dms s PHE 14 CO 0.56 -1.64 1.06 0.95 -0.10 0.00 0.00 175.22 176.05 2dms s THR 15 N 4.86 3.23 0.24 0.64 -4.23 -1.23 -4.83 115.64 114.32 2dms s THR 15 Ca 0.38 0.25 -0.05 0.00 -1.18 0.00 0.00 61.69 61.09 2dms s THR 15 Cb -0.09 -3.37 0.20 0.00 1.34 0.00 0.00 72.50 70.58 2dms s THR 15 CO 0.21 -0.46 1.78 0.03 -0.54 0.00 0.00 174.62 175.65 2dms h ARG 16 N -0.60 0.63 -0.35 3.99 2.47 -1.95 0.15 114.38 118.71 2dms h ARG 16 Ca -0.45 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.21 2dms h ARG 16 Cb 1.27 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 29.43 2dms h ARG 16 CO 0.63 0.42 0.15 0.00 0.56 0.00 0.00 179.97 181.73 2dms h ALA 17 N 1.47 0.46 -0.11 0.04 0.00 -2.00 0.44 119.26 119.56 2dms h ALA 17 Ca 0.39 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 2dms h ALA 17 Cb 0.45 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2dms h ALA 17 CO -0.29 0.05 -0.23 1.96 0.00 0.00 0.00 179.25 180.74 2dms h GLN 18 N 0.43 0.20 0.22 0.00 4.20 -1.65 -3.15 115.11 115.36 2dms h GLN 18 Ca 0.12 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 2dms h GLN 18 Cb 0.17 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.93 2dms h GLN 18 CO -0.01 0.42 -0.11 -0.07 -0.67 0.00 0.00 178.83 178.40 2dms h LEU 19 N 0.18 -0.25 -0.88 1.46 3.38 -0.38 -2.54 115.31 116.28 2dms h LEU 19 Ca 0.03 -0.21 0.21 0.00 0.09 0.00 0.00 57.88 58.00 2dms h LEU 19 Cb 0.51 0.06 -0.17 0.00 0.09 0.00 0.00 40.66 41.16 2dms h LEU 19 CO 0.04 0.27 -0.09 -0.67 0.09 0.00 0.00 178.44 178.08 2dms n ASP 20 N -4.97 -0.20 0.22 -0.43 -0.08 0.11 -0.29 116.55 110.92 2dms n ASP 20 Ca -0.07 1.51 -0.12 0.00 -1.51 0.00 0.00 54.79 54.60 2dms n ASP 20 Cb 0.23 -0.51 -0.07 0.00 2.34 0.00 0.00 41.12 43.11 2dms n ASP 20 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 2dms h VAL 21 N 0.00 0.31 -0.78 5.18 2.07 -1.63 -1.77 116.25 119.63 2dms h VAL 21 Ca 0.49 -0.57 0.16 0.00 0.82 0.00 0.00 66.70 67.60 2dms h VAL 21 Cb 0.90 0.47 -0.15 0.00 -1.52 0.00 0.00 31.29 30.99 2dms h VAL 21 CO -0.86 0.06 -0.18 -0.07 0.02 0.00 0.00 177.57 176.54 2dms h LEU 22 N -1.03 -0.69 -0.27 2.57 3.38 -0.45 0.98 115.31 119.79 2dms h LEU 22 Ca -0.06 0.23 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2dms h LEU 22 Cb 0.56 0.47 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 2dms h LEU 22 CO 0.10 -0.25 0.12 -0.33 0.09 0.00 0.00 178.44 178.16 2dms h GLU 23 N 0.01 0.40 -0.98 1.13 5.08 -0.70 -2.26 114.58 117.26 2dms h GLU 23 Ca 0.38 -0.07 0.27 0.00 -1.00 0.00 0.00 59.36 58.94 2dms h GLU 23 Cb 0.59 -0.07 -0.13 0.00 0.50 0.00 0.00 28.75 29.64 2dms h GLU 23 CO -0.80 0.41 0.53 0.00 -1.00 0.00 0.00 179.01 178.15 2dms h ALA 24 N 0.96 1.75 0.00 3.43 0.00 0.11 0.83 119.26 126.33 2dms h ALA 24 Ca 0.09 0.16 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 2dms h ALA 24 Cb 0.16 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2dms h ALA 24 CO -0.01 -0.39 -0.53 1.25 0.00 0.00 0.00 179.25 179.56 2dms h LEU 25 N 0.44 0.00 0.00 0.00 5.85 -1.07 -3.02 115.31 117.51 2dms h LEU 25 Ca 0.65 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.37 2dms h LEU 25 Cb 1.34 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.37 2dms h LEU 25 CO -0.54 0.53 -0.02 0.15 -0.34 0.00 0.00 178.44 178.23 2dms h PHE 26 N 0.00 0.00 0.00 1.25 3.04 0.11 -1.22 116.94 120.12 2dms h PHE 26 Ca -0.01 0.00 -0.18 0.00 3.98 0.00 0.00 57.97 61.77 2dms h PHE 26 Cb 1.27 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 39.76 2dms h PHE 26 CO 0.00 0.00 -1.16 0.00 -2.02 0.00 0.00 178.31 175.13 2dms h ALA 27 N 2.10 0.63 0.07 2.41 0.00 -0.42 -3.37 119.26 120.68 2dms h ALA 27 Ca 0.00 -0.85 -0.35 0.00 0.00 0.00 0.00 54.91 53.72 2dms h ALA 27 Cb 0.95 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 2dms h ALA 27 CO 0.00 0.99 -1.94 0.36 0.00 0.00 0.00 179.25 178.66 2dms n LYS 28 N -3.07 0.69 -3.65 0.00 2.85 -1.15 -4.91 118.16 108.93 2dms n LYS 28 Ca -0.06 0.32 -0.20 0.00 -1.05 0.00 0.00 58.31 57.32 2dms n LYS 28 Cb 0.86 -1.68 -0.17 0.00 -0.65 0.00 0.00 35.03 33.39 2dms n LYS 28 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 2dms s THR 29 N -2.51 -0.16 0.28 0.58 -1.32 -0.46 -5.01 115.64 107.04 2dms s THR 29 Ca -0.26 0.31 0.15 0.00 -1.21 0.00 0.00 61.69 60.67 2dms s THR 29 Cb 0.07 -0.27 0.08 0.00 -1.51 0.00 0.00 72.50 70.87 2dms s THR 29 CO 0.69 0.10 1.74 0.03 -2.21 0.00 0.00 174.62 174.97 2dms h ARG 30 N 8.41 0.00 -2.97 7.08 3.08 -1.77 -3.36 114.38 124.85 2dms h ARG 30 Ca -0.13 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.31 2dms h ARG 30 Cb 1.12 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.76 2dms h ARG 30 CO 0.17 0.44 -0.65 0.71 -1.07 0.00 0.00 179.97 179.57 2dms s TYR 31 N -3.83 3.10 0.81 3.04 2.02 -1.26 -5.01 117.35 116.23 2dms s TYR 31 Ca -0.01 -3.14 -0.11 0.00 -0.37 0.00 0.00 57.07 53.43 2dms s TYR 31 Cb 0.13 -2.38 0.08 0.00 -0.40 0.00 0.00 41.96 39.38 2dms s TYR 31 CO 0.72 -0.60 1.09 -1.25 -1.57 0.00 0.00 175.55 173.94 2dms s PRO 32 N -1.13 1.95 0.52 -1.71 0.04 -1.26 -5.07 135.00 128.35 2dms s PRO 32 Ca 0.26 1.07 0.09 0.00 0.04 0.00 0.00 61.00 62.45 2dms s PRO 32 Cb -0.04 -1.87 0.06 0.00 0.04 0.00 0.00 34.50 32.69 2dms s PRO 32 CO -0.16 -1.83 0.70 -0.51 0.04 0.00 0.00 177.00 175.24 2dms s ASP 33 N -3.40 5.24 0.41 6.66 1.11 -1.26 -4.87 116.67 120.56 2dms s ASP 33 Ca 0.62 -0.74 0.16 0.00 0.18 0.00 0.00 52.55 52.77 2dms s ASP 33 Cb -0.17 0.01 1.04 0.00 1.07 0.00 0.00 42.92 44.87 2dms s ASP 33 CO 0.56 -1.15 1.87 -0.29 1.18 0.00 0.00 175.17 177.35 2dms h ILE 34 N 0.36 0.72 -0.06 0.77 6.09 -1.98 -0.41 117.51 123.01 2dms h ILE 34 Ca -0.33 -0.15 -0.01 0.00 -1.37 0.00 0.00 64.86 63.00 2dms h ILE 34 Cb 1.29 0.24 -0.00 0.00 0.47 0.00 0.00 36.82 38.81 2dms h ILE 34 CO 0.43 0.08 0.01 -0.26 -3.07 0.00 0.00 178.15 175.34 2dms h PHE 35 N 0.44 0.09 0.45 2.19 0.04 -1.98 0.67 116.94 118.85 2dms h PHE 35 Ca 0.44 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 61.18 2dms h PHE 35 Cb 1.04 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.17 2dms h PHE 35 CO -0.00 0.30 -0.22 0.52 -0.60 0.00 0.00 178.31 178.31 2dms h MET 36 N -0.14 -0.59 -0.99 1.51 2.86 -1.61 -1.33 114.93 114.66 2dms h MET 36 Ca 0.02 0.04 0.08 0.00 -2.06 0.00 0.00 59.70 57.77 2dms h MET 36 Cb 0.25 0.13 -0.07 0.00 0.06 0.00 0.00 31.60 31.97 2dms h MET 36 CO 0.00 -0.33 0.63 0.00 1.06 0.00 0.00 176.91 178.28 2dms h ARG 37 N -0.74 1.08 -0.06 1.72 3.08 -1.17 -2.25 114.38 116.05 2dms h ARG 37 Ca -0.06 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 2dms h ARG 37 Cb 0.53 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 2dms h ARG 37 CO 0.10 0.72 0.03 0.93 -1.07 0.00 0.00 179.97 180.68 2dms h GLU 38 N 1.12 0.08 0.31 0.04 4.39 -0.71 -0.82 114.58 118.98 2dms h GLU 38 Ca 0.44 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 60.13 2dms h GLU 38 Cb 0.24 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 2dms h GLU 38 CO -0.19 0.11 -0.39 1.49 -1.16 0.00 0.00 179.01 178.87 2dms h GLU 39 N 0.02 -0.70 0.14 2.33 4.81 -0.69 -1.08 114.58 119.41 2dms h GLU 39 Ca 0.02 0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.31 2dms h GLU 39 Cb 0.06 0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 2dms h GLU 39 CO -0.00 -0.46 -0.44 0.28 -0.73 0.00 0.00 179.01 177.65 2dms h VAL 40 N -0.72 0.00 -1.20 0.32 2.07 -1.44 0.45 116.25 115.73 2dms h VAL 40 Ca -0.04 0.00 0.35 0.00 0.82 0.00 0.00 66.70 67.83 2dms h VAL 40 Cb 0.65 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 2dms h VAL 40 CO -0.09 0.00 0.99 0.00 0.02 0.00 0.00 177.57 178.49 2dms h ALA 41 N -0.76 3.09 0.00 1.67 0.00 -1.11 1.54 119.26 123.70 2dms h ALA 41 Ca -0.01 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 2dms h ALA 41 Cb 0.64 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 2dms h ALA 41 CO -0.22 -1.61 -1.41 -0.07 0.00 0.00 0.00 179.25 175.94 2dms h LEU 42 N 0.00 0.00 0.00 0.00 3.38 0.37 0.21 115.31 119.27 2dms h LEU 42 Ca 0.57 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.54 2dms h LEU 42 Cb 2.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.30 2dms h LEU 42 CO -0.01 0.61 -0.11 0.50 0.09 0.00 0.00 178.44 179.53 2dms h LYS 43 N 0.00 0.00 0.00 1.13 3.64 0.64 -3.33 116.57 118.66 2dms h LYS 43 Ca -0.17 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 2dms h LYS 43 Cb 1.62 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.44 2dms h LYS 43 CO 0.05 0.00 0.00 0.44 -2.27 0.00 0.00 179.45 177.67 2dms n ILE 44 N -4.34 1.54 -2.65 2.00 -5.35 0.10 -4.84 119.36 105.84 2dms n ILE 44 Ca -0.02 0.39 -0.08 0.00 -0.27 0.00 0.00 62.75 62.77 2dms n ILE 44 Cb 0.06 -1.31 0.04 0.00 -1.74 0.00 0.00 39.64 36.69 2dms n ILE 44 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2dms n ASN 45 N -1.45 -2.32 -4.13 7.28 5.15 -1.21 -4.82 115.26 113.75 2dms n ASN 45 Ca 0.01 -0.31 -0.12 0.00 -0.60 0.00 0.00 54.58 53.56 2dms n ASN 45 Cb 0.05 -2.76 -0.11 0.00 -0.53 0.00 0.00 39.78 36.43 2dms n ASN 45 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2dms s LEU 46 N -4.13 2.41 0.02 1.20 1.43 0.75 -5.02 118.68 115.32 2dms s LEU 46 Ca 0.03 -0.82 -0.30 0.00 -1.03 0.00 0.00 54.13 52.01 2dms s LEU 46 Cb -0.00 -0.14 -0.06 0.00 0.03 0.00 0.00 46.19 46.01 2dms s LEU 46 CO 0.36 -0.34 1.44 -2.16 0.23 0.00 0.00 176.35 175.87 2dms s PRO 47 N -2.90 4.27 0.40 1.29 0.04 -1.26 -4.22 135.00 132.63 2dms s PRO 47 Ca 0.03 2.02 0.30 0.00 0.04 0.00 0.00 61.00 63.40 2dms s PRO 47 Cb -0.01 -3.56 1.36 0.00 0.04 0.00 0.00 34.50 32.33 2dms s PRO 47 CO -0.02 -0.59 1.42 -1.91 0.04 0.00 0.00 177.00 175.93 2dms n GLU 48 N 5.34 -0.03 0.02 4.56 0.00 -1.26 0.12 120.64 129.38 2dms n GLU 48 Ca 0.13 1.13 -0.11 0.00 0.00 0.00 0.00 57.16 58.32 2dms n GLU 48 Cb 0.43 -2.24 -0.06 0.00 0.00 0.00 0.00 31.44 29.57 2dms n GLU 48 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 2dms h SER 49 N 0.00 -0.06 -0.59 4.31 0.02 -1.97 -0.52 113.55 114.73 2dms h SER 49 Ca 0.80 0.02 0.07 0.00 -0.84 0.00 0.00 61.79 61.84 2dms h SER 49 Cb 2.61 0.04 -0.04 0.00 0.14 0.00 0.00 62.40 65.15 2dms h SER 49 CO -0.41 -0.02 0.39 0.03 -1.14 0.00 0.00 176.83 175.68 2dms h ARG 50 N -0.00 0.52 0.36 3.45 2.47 0.59 -1.80 114.38 119.96 2dms h ARG 50 Ca 0.03 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.70 2dms h ARG 50 Cb 0.05 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.26 2dms h ARG 50 CO -0.07 0.34 -0.17 0.28 0.56 0.00 0.00 179.97 180.92 2dms h VAL 51 N 0.54 0.42 -1.00 2.04 2.07 -1.13 0.81 116.25 119.99 2dms h VAL 51 Ca 0.26 -0.70 0.23 0.00 0.82 0.00 0.00 66.70 67.31 2dms h VAL 51 Cb 0.34 0.66 -0.10 0.00 -1.52 0.00 0.00 31.29 30.66 2dms h VAL 51 CO -0.08 0.09 0.63 -0.61 0.02 0.00 0.00 177.57 177.62 2dms h GLN 52 N -0.98 0.52 0.02 1.57 4.15 -0.87 -1.75 115.11 117.77 2dms h GLN 52 Ca -0.05 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.34 2dms h GLN 52 Cb 0.52 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.09 2dms h GLN 52 CO 0.08 0.35 -0.01 0.28 -1.93 0.00 0.00 178.83 177.60 2dms h VAL 53 N 0.54 1.52 -0.70 2.39 2.07 -1.34 -3.22 116.25 117.51 2dms h VAL 53 Ca 0.58 -1.80 0.20 0.00 0.82 0.00 0.00 66.70 66.50 2dms h VAL 53 Cb 1.23 2.71 -0.03 0.00 -1.52 0.00 0.00 31.29 33.68 2dms h VAL 53 CO -0.34 0.45 1.05 -0.25 0.02 0.00 0.00 177.57 178.51 2dms h TRP 54 N -0.82 0.00 0.02 1.57 7.01 0.08 0.12 115.95 123.94 2dms h TRP 54 Ca -0.00 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.00 2dms h TRP 54 Cb 0.76 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.82 2dms h TRP 54 CO 0.19 0.00 -0.01 0.74 -2.79 0.00 0.00 178.44 176.57 2dms h PHE 55 N 0.00 -0.03 -0.78 2.65 -1.00 -1.51 -2.68 116.94 113.59 2dms h PHE 55 Ca 0.33 -0.00 0.23 0.00 2.81 0.00 0.00 57.97 61.34 2dms h PHE 55 Cb 2.43 0.01 -0.03 0.00 3.61 0.00 0.00 35.95 41.97 2dms h PHE 55 CO 0.00 -0.02 0.71 1.57 -1.61 0.00 0.00 178.31 178.96 2dms h LYS 56 N -0.97 0.00 0.10 1.51 2.10 -0.84 0.60 116.57 119.07 2dms h LYS 56 Ca -0.00 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.37 2dms h LYS 56 Cb 0.02 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.35 2dms h LYS 56 CO 0.01 0.00 -1.33 -0.91 -2.00 0.00 0.00 179.45 175.21 2dms h ASN 57 N 0.00 0.34 0.14 7.07 2.35 -1.42 -3.12 115.58 120.94 2dms h ASN 57 Ca 0.37 -0.41 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 2dms h ASN 57 Cb 1.79 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 40.05 2dms h ASN 57 CO -0.00 1.33 -0.07 0.03 -1.65 0.00 0.00 177.43 177.07 2dms h ARG 58 N 0.06 -0.18 -0.63 0.81 2.47 0.48 -3.26 114.38 114.13 2dms h ARG 58 Ca -0.16 0.01 0.18 0.00 -1.26 0.00 0.00 59.98 58.75 2dms h ARG 58 Cb 1.96 0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 30.30 2dms h ARG 58 CO 0.17 -0.12 0.64 0.07 0.56 0.00 0.00 179.97 181.30 2dms h ARG 59 N -0.46 0.00 -0.92 0.04 0.11 -1.30 0.21 114.38 112.07 2dms h ARG 59 Ca -0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.06 2dms h ARG 59 Cb 0.14 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.18 2dms h ARG 59 CO 0.03 0.00 0.58 0.00 0.10 0.00 0.00 179.97 180.68 2dms h ALA 60 N 1.31 1.17 -1.33 0.08 0.00 -1.58 -2.26 119.26 116.64 2dms h ALA 60 Ca 0.30 -0.08 0.40 0.00 0.00 0.00 0.00 54.91 55.53 2dms h ALA 60 Cb 1.58 -0.37 -0.10 0.00 0.00 0.00 0.00 17.79 18.90 2dms h ALA 60 CO -0.00 0.60 0.90 -0.22 0.00 0.00 0.00 179.25 180.52 2dms h LYS 61 N 1.26 0.12 -1.13 0.00 3.64 -0.62 0.11 116.57 119.94 2dms h LYS 61 Ca 0.33 -0.01 0.44 0.00 -1.27 0.00 0.00 60.65 60.14 2dms h LYS 61 Cb -0.09 -0.03 -0.16 0.00 -0.41 0.00 0.00 32.23 31.54 2dms h LYS 61 CO -0.07 0.08 0.66 0.00 -2.27 0.00 0.00 179.45 177.86 2dms n ARG 63 N -5.01 0.70 0.08 0.00 3.00 0.36 -4.48 116.66 111.31 2dms n ARG 63 Ca 0.38 0.19 -0.13 0.00 -0.00 0.00 0.00 57.85 58.30 2dms n ARG 63 Cb 1.38 -1.61 -0.06 0.00 0.00 0.00 0.00 32.46 32.17 2dms n ARG 63 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.63 178.00 2dms h GLN 64 N 0.03 -0.52 -6.02 -0.14 -0.00 -0.49 -3.43 115.11 104.53 2dms h GLN 64 Ca -0.50 0.04 -0.62 0.00 -0.00 0.00 0.00 58.65 57.57 2dms h GLN 64 Cb 1.98 0.12 0.16 0.00 0.00 0.00 0.00 27.48 29.75 2dms h GLN 64 CO -0.00 -0.35 -0.97 0.00 0.00 0.00 0.00 178.83 177.51 2dms n GLN 65 N -5.43 0.03 -3.92 1.69 10.64 0.42 -1.69 117.38 119.12 2dms n GLN 65 Ca -0.06 0.01 -0.27 0.00 -1.83 0.00 0.00 57.00 54.86 2dms n GLN 65 Cb 0.35 -1.03 0.00 0.00 -0.86 0.00 0.00 30.24 28.69 2dms n GLN 65 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 2dms n GLN 66 N 1.32 -4.11 -1.65 2.61 6.02 -1.26 -4.93 117.38 115.38 2dms n GLN 66 Ca 0.10 0.49 -0.31 0.00 -0.01 0.00 0.00 57.00 57.27 2dms n GLN 66 Cb 0.42 -4.96 0.05 0.00 1.02 0.00 0.00 30.24 26.77 2dms n GLN 66 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2dms s GLN 67 N -6.48 2.95 0.24 -1.09 0.74 -0.68 -4.90 119.66 110.45 2dms s GLN 67 Ca 0.24 1.04 0.01 0.00 0.05 0.00 0.00 55.36 56.70 2dms s GLN 67 Cb -0.12 -1.99 0.58 0.00 1.10 0.00 0.00 33.01 32.58 2dms s GLN 67 CO 0.86 -1.09 1.19 0.94 -0.55 0.00 0.00 175.29 176.65 2dms n GLN 68 N -2.91 -0.06 -1.47 1.67 -0.06 -1.26 -4.42 117.38 108.87 2dms n GLN 68 Ca 0.08 1.14 -0.37 0.00 -2.00 0.00 0.00 57.00 55.85 2dms n GLN 68 Cb 0.53 -1.81 0.07 0.00 -4.06 0.00 0.00 30.24 24.97 2dms n GLN 68 CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 2dms n GLN 69 N -5.07 0.63 -1.71 3.69 -0.06 -1.26 -4.77 117.38 108.83 2dms n GLN 69 Ca 0.18 0.26 -0.57 0.00 -2.00 0.00 0.00 57.00 54.87 2dms n GLN 69 Cb 0.58 -2.10 -0.07 0.00 -4.06 0.00 0.00 30.24 24.60 2dms n GLN 69 CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 2dms n GLN 70 N -1.20 1.20 -4.18 3.69 0.00 -1.26 -4.93 117.38 110.70 2dms n GLN 70 Ca 0.13 0.44 -0.16 0.00 -0.00 0.00 0.00 57.00 57.40 2dms n GLN 70 Cb 0.49 -2.13 -0.06 0.00 0.00 0.00 0.00 30.24 28.53 2dms n GLN 70 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 2dms s ASN 71 N 3.56 1.15 0.07 1.69 -0.87 -1.26 -5.00 114.94 114.27 2dms s ASN 71 Ca 0.98 -1.58 -0.14 0.00 -1.57 0.00 0.00 52.86 50.55 2dms s ASN 71 Cb -1.05 0.59 -0.03 0.00 -0.02 0.00 0.00 41.25 40.73 2dms s ASN 71 CO 0.65 -1.15 1.00 0.61 -2.57 0.00 0.00 177.10 175.64 2dms n GLY 72 N -0.56 -2.16 2.87 0.66 0.00 -1.26 -1.62 105.19 103.12 2dms n GLY 72 Ca 0.04 0.72 -0.42 0.00 0.00 0.00 0.00 46.02 46.35 2dms n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dms n GLY 73 N -1.11 4.96 0.29 -0.02 0.00 -1.26 -4.80 105.19 103.25 2dms n GLY 73 Ca 0.01 -2.28 0.09 0.00 0.00 0.00 0.00 46.02 43.84 2dms n GLY 73 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2dms h GLN 74 N 5.54 0.35 -0.25 1.61 3.07 -1.68 -0.38 115.11 123.35 2dms h GLN 74 Ca 0.36 -0.02 -0.01 0.00 0.09 0.00 0.00 58.65 59.07 2dms h GLN 74 Cb 0.60 -0.08 -0.01 0.00 0.08 0.00 0.00 27.48 28.07 2dms h GLN 74 CO 1.52 0.23 0.13 0.66 0.09 0.00 0.00 178.83 181.46 2dms h SER 75 N 0.36 0.32 0.00 0.06 4.64 -1.88 -3.43 113.55 113.61 2dms h SER 75 Ca 0.49 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 2dms h SER 75 Cb 0.88 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 2dms h SER 75 CO -0.51 0.33 0.00 0.61 -0.87 0.00 0.00 176.83 176.39 2dms n GLY 76 N -0.90 0.42 3.69 -0.77 0.00 -0.15 -4.23 105.19 103.24 2dms n GLY 76 Ca -0.03 0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.95 2dms n GLY 76 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dms s PRO 77 N 0.00 4.27 -0.59 1.61 0.04 -1.26 -4.98 135.00 134.09 2dms s PRO 77 Ca 0.00 2.02 -0.22 0.00 0.04 0.00 0.00 61.00 62.84 2dms s PRO 77 Cb 0.00 -3.56 0.06 0.00 0.04 0.00 0.00 34.50 31.04 2dms s PRO 77 CO 0.00 -0.59 0.87 0.45 0.04 0.00 0.00 177.00 177.77 2dms s SER 78 N 1.91 6.23 -0.14 6.66 0.15 -1.26 -4.82 113.70 122.43 2dms s SER 78 Ca 0.65 -0.83 -0.08 0.00 0.70 0.00 0.00 55.95 56.40 2dms s SER 78 Cb -0.33 -2.39 -0.06 0.00 -1.71 0.00 0.00 66.02 61.53 2dms s SER 78 CO 0.27 -1.25 -0.20 -0.24 1.20 0.00 0.00 173.24 173.03 2dms n SER 79 N 7.22 1.14 0.00 5.45 2.88 -1.26 -5.28 113.62 123.77 2dms n SER 79 Ca -0.03 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 2dms n SER 79 Cb 0.46 -0.47 0.00 0.00 -0.75 0.00 0.00 64.21 63.45 2dms n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42