#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dms n SER 2 N 0.00 0.09 -0.06 1.61 7.64 -1.26 -4.81 113.62 116.83 2dms n SER 2 Ca 0.00 0.02 -0.11 0.00 1.01 0.00 0.00 58.87 59.79 2dms n SER 2 Cb 0.00 -0.03 -0.04 0.00 -1.01 0.00 0.00 64.21 63.13 2dms n SER 2 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2dms h SER 3 N 0.00 0.30 -3.16 6.43 0.02 -2.14 -3.49 113.55 111.52 2dms h SER 3 Ca 0.00 -0.17 0.30 0.00 -0.84 0.00 0.00 61.79 61.08 2dms h SER 3 Cb 0.83 -0.08 -0.16 0.00 0.14 0.00 0.00 62.40 63.13 2dms h SER 3 CO 0.00 0.39 -1.08 0.61 -1.14 0.00 0.00 176.83 175.61 2dms n GLY 4 N -0.70 -2.81 3.35 -3.77 0.00 -1.26 -5.02 105.19 94.98 2dms n GLY 4 Ca -0.03 -0.85 -0.18 0.00 0.00 0.00 0.00 46.02 44.96 2dms n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dms s SER 5 N -6.93 1.54 -0.18 1.61 0.01 -1.26 -5.10 113.70 103.39 2dms s SER 5 Ca 0.00 -1.36 -0.16 0.00 1.31 0.00 0.00 55.95 55.74 2dms s SER 5 Cb 0.00 0.09 -0.07 0.00 0.21 0.00 0.00 66.02 66.25 2dms s SER 5 CO 0.00 -0.68 -0.33 -0.24 0.41 0.00 0.00 173.24 172.41 2dms n SER 6 N -0.51 1.87 0.00 2.44 2.88 -1.26 -5.07 113.62 113.96 2dms n SER 6 Ca -0.01 0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 2dms n SER 6 Cb 0.66 -0.72 0.00 0.00 -0.75 0.00 0.00 64.21 63.40 2dms n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dms n GLY 7 N 1.56 -0.90 3.21 0.46 0.00 -1.26 -5.15 105.19 103.11 2dms n GLY 7 Ca -0.21 0.26 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 2dms n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dms s ARG 8 N 0.00 0.94 0.00 1.61 1.81 -1.26 -5.05 118.95 117.00 2dms s ARG 8 Ca 0.00 -1.01 0.00 0.00 -1.72 0.00 0.00 55.73 53.00 2dms s ARG 8 Cb 0.00 -1.04 0.00 0.00 -0.45 0.00 0.00 34.95 33.46 2dms s ARG 8 CO 0.00 0.24 0.00 0.54 -0.68 0.00 0.00 175.30 175.40 2dms n ARG 9 N 1.26 0.00 -4.04 3.54 3.00 -1.26 -5.03 116.66 114.13 2dms n ARG 9 Ca -0.20 0.00 -0.32 0.00 -0.01 0.00 0.00 57.85 57.32 2dms n ARG 9 Cb 0.54 -0.58 0.00 0.00 0.00 0.00 0.00 32.46 32.42 2dms n ARG 9 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2dms n GLU 10 N -2.62 -4.33 -2.91 5.56 1.02 -1.26 -4.92 120.64 111.17 2dms n GLU 10 Ca 0.00 0.49 -0.37 0.00 -0.02 0.00 0.00 57.16 57.26 2dms n GLU 10 Cb 0.38 -5.23 -0.06 0.00 -0.02 0.00 0.00 31.44 26.50 2dms n GLU 10 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2dms s ARG 11 N -6.72 4.44 -0.23 3.49 1.81 -1.26 -5.05 118.95 115.43 2dms s ARG 11 Ca 0.61 1.14 -0.07 0.00 -1.72 0.00 0.00 55.73 55.69 2dms s ARG 11 Cb -0.32 -2.82 -0.03 0.00 -0.45 0.00 0.00 34.95 31.33 2dms s ARG 11 CO 0.88 0.32 0.06 0.95 -0.68 0.00 0.00 175.30 176.82 2dms s THR 12 N -1.59 4.30 -0.23 0.02 -4.23 -1.26 -4.97 115.64 107.68 2dms s THR 12 Ca 0.47 -0.18 -0.06 0.00 -1.18 0.00 0.00 61.69 60.74 2dms s THR 12 Cb -0.18 -2.99 -0.18 0.00 1.34 0.00 0.00 72.50 70.49 2dms s THR 12 CO 0.22 0.37 -0.10 0.41 -0.54 0.00 0.00 174.62 174.98 2dms n THR 13 N 4.63 1.56 -3.41 3.99 -1.04 -1.26 -4.90 114.28 113.85 2dms n THR 13 Ca -0.16 -0.48 -0.38 0.00 -2.04 0.00 0.00 64.05 60.98 2dms n THR 13 Cb 0.52 -1.66 -0.08 0.00 -1.82 0.00 0.00 70.33 67.29 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 -2.51 3.37 0.44 -1.42 0.08 -1.26 -5.08 117.98 111.59 2dms s PHE 14 Ca -0.33 0.58 0.03 0.00 0.12 0.00 0.00 56.93 57.33 2dms s PHE 14 Cb 0.10 -2.51 0.01 0.00 -0.57 0.00 0.00 43.02 40.05 2dms s PHE 14 CO 0.60 -0.01 0.63 0.95 -0.10 0.00 0.00 175.22 177.29 2dms s THR 15 N 1.31 3.59 0.19 0.64 -4.23 -1.26 -4.89 115.64 110.98 2dms s THR 15 Ca 0.18 -0.74 -0.12 0.00 -1.18 0.00 0.00 61.69 59.83 2dms s THR 15 Cb -0.15 -3.29 0.12 0.00 1.34 0.00 0.00 72.50 70.53 2dms s THR 15 CO 0.08 -0.17 1.72 0.03 -0.54 0.00 0.00 174.62 175.74 2dms h ARG 16 N 0.49 0.27 -0.09 3.99 2.47 -1.98 0.35 114.38 119.88 2dms h ARG 16 Ca -0.44 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.25 2dms h ARG 16 Cb 1.27 -0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 29.52 2dms h ARG 16 CO 0.53 0.18 0.03 0.00 0.56 0.00 0.00 179.97 181.27 2dms h ALA 17 N 1.40 0.12 -0.22 0.04 0.00 -2.00 -0.81 119.26 117.80 2dms h ALA 17 Ca 0.27 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2dms h ALA 17 Cb 0.36 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2dms h ALA 17 CO -0.33 -0.25 0.07 1.96 0.00 0.00 0.00 179.25 180.70 2dms h GLN 18 N -0.05 0.30 0.07 0.00 4.20 -1.75 -2.87 115.11 115.02 2dms h GLN 18 Ca 0.03 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 2dms h GLN 18 Cb 0.24 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.96 2dms h GLN 18 CO -0.00 0.27 -0.04 -0.07 -0.67 0.00 0.00 178.83 178.33 2dms h LEU 19 N 0.31 -0.08 -0.88 1.46 3.38 -0.06 -2.33 115.31 117.11 2dms h LEU 19 Ca 0.08 -0.48 0.23 0.00 0.09 0.00 0.00 57.88 57.80 2dms h LEU 19 Cb 0.10 0.02 -0.14 0.00 0.09 0.00 0.00 40.66 40.72 2dms h LEU 19 CO -0.01 0.48 0.20 -0.78 0.09 0.00 0.00 178.44 178.42 2dms h ASP 20 N -0.69 -0.07 0.33 -0.43 3.58 -0.94 0.21 116.42 118.41 2dms h ASP 20 Ca -0.01 0.20 -0.02 0.00 0.42 0.00 0.00 57.03 57.63 2dms h ASP 20 Cb 0.56 0.29 0.00 0.00 1.72 0.00 0.00 39.33 41.91 2dms h ASP 20 CO 0.02 -0.18 -0.16 0.58 -2.88 0.00 0.00 179.24 176.62 2dms h VAL 21 N 0.18 0.57 -0.86 2.25 2.07 -1.55 0.67 116.25 119.57 2dms h VAL 21 Ca 0.54 -0.69 0.20 0.00 0.82 0.00 0.00 66.70 67.58 2dms h VAL 21 Cb 1.10 0.87 -0.12 0.00 -1.52 0.00 0.00 31.29 31.61 2dms h VAL 21 CO -0.68 0.11 0.36 -0.07 0.02 0.00 0.00 177.57 177.32 2dms h LEU 22 N -0.88 0.30 -0.12 2.57 3.38 -0.68 -0.34 115.31 119.54 2dms h LEU 22 Ca -0.05 0.14 -0.13 0.00 0.09 0.00 0.00 57.88 57.94 2dms h LEU 22 Cb 0.53 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2dms h LEU 22 CO 0.07 0.02 -0.45 -0.33 0.09 0.00 0.00 178.44 177.85 2dms h GLU 23 N 0.41 0.51 -0.86 1.13 5.08 -0.64 -2.87 114.58 117.35 2dms h GLU 23 Ca 0.52 -0.39 0.19 0.00 -1.00 0.00 0.00 59.36 58.68 2dms h GLU 23 Cb 0.94 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.21 2dms h GLU 23 CO -0.50 1.02 0.57 0.00 -1.00 0.00 0.00 179.01 179.09 2dms h ALA 24 N 0.50 2.17 0.00 3.43 0.00 0.74 0.41 119.26 126.52 2dms h ALA 24 Ca -0.02 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2dms h ALA 24 Cb 1.08 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2dms h ALA 24 CO 0.09 -0.43 -0.24 1.25 0.00 0.00 0.00 179.25 179.93 2dms h LEU 25 N 0.41 0.00 0.00 0.00 5.85 -1.16 -3.12 115.31 117.29 2dms h LEU 25 Ca 0.44 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.16 2dms h LEU 25 Cb 1.07 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.10 2dms h LEU 25 CO -0.16 0.18 -0.43 0.15 -0.34 0.00 0.00 178.44 177.85 2dms h PHE 26 N 0.00 0.00 0.01 1.25 3.04 -0.05 -2.16 116.94 119.03 2dms h PHE 26 Ca -0.00 0.00 -0.25 0.00 3.98 0.00 0.00 57.97 61.70 2dms h PHE 26 Cb 1.14 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 39.62 2dms h PHE 26 CO 0.00 0.00 -1.32 0.00 -2.02 0.00 0.00 178.31 174.97 2dms h ALA 27 N 2.03 0.51 0.05 2.41 0.00 -0.98 -3.37 119.26 119.91 2dms h ALA 27 Ca 0.00 -1.14 -0.24 0.00 0.00 0.00 0.00 54.91 53.52 2dms h ALA 27 Cb 0.99 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 2dms h ALA 27 CO 0.00 1.37 -1.29 1.57 0.00 0.00 0.00 179.25 180.90 2dms h LYS 28 N 0.01 0.11 -3.36 0.00 2.10 -1.62 -3.47 116.57 110.33 2dms h LYS 28 Ca -0.14 -0.18 -0.38 0.00 -2.00 0.00 0.00 60.65 57.95 2dms h LYS 28 Cb 1.89 0.07 -0.39 0.00 -0.90 0.00 0.00 32.23 32.90 2dms h LYS 28 CO 0.11 1.09 -0.74 -0.08 -2.00 0.00 0.00 179.45 177.83 2dms s THR 29 N -2.41 -0.05 0.05 0.07 -1.32 -0.81 -5.01 115.64 106.16 2dms s THR 29 Ca -0.24 0.39 0.20 0.00 -1.21 0.00 0.00 61.69 60.82 2dms s THR 29 Cb 0.05 -0.19 0.16 0.00 -1.51 0.00 0.00 72.50 71.00 2dms s THR 29 CO 0.68 0.19 1.69 0.03 -2.21 0.00 0.00 174.62 174.99 2dms h ARG 30 N 8.38 0.00 -2.85 7.08 3.08 -1.77 -3.36 114.38 124.94 2dms h ARG 30 Ca -0.14 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.30 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 0.34 -0.71 0.71 -1.07 0.00 0.00 179.97 179.42 2dms s TYR 31 N -3.45 2.72 0.81 3.04 1.51 -1.26 -5.02 117.35 115.71 2dms s TYR 31 Ca 0.01 -2.98 -0.11 0.00 -1.01 0.00 0.00 57.07 52.98 2dms s TYR 31 Cb 0.10 -2.11 0.08 0.00 -0.11 0.00 0.00 41.96 39.92 2dms s TYR 31 CO 0.68 -0.65 1.09 -1.25 -1.11 0.00 0.00 175.55 174.32 2dms s PRO 32 N -0.90 1.96 0.69 -1.71 0.04 -1.26 -5.07 135.00 128.75 2dms s PRO 32 Ca 0.27 1.07 0.03 0.00 0.04 0.00 0.00 61.00 62.41 2dms s PRO 32 Cb -0.03 -1.87 0.13 0.00 0.04 0.00 0.00 34.50 32.77 2dms s PRO 32 CO -0.17 -1.83 0.95 -0.51 0.04 0.00 0.00 177.00 175.48 2dms s ASP 33 N -3.40 4.50 0.45 6.66 1.11 -1.26 -4.88 116.67 119.85 2dms s ASP 33 Ca 0.62 -0.59 0.11 0.00 0.18 0.00 0.00 52.55 52.87 2dms s ASP 33 Cb -0.17 0.21 1.01 0.00 1.07 0.00 0.00 42.92 45.04 2dms s ASP 33 CO 0.56 -1.77 2.07 -0.29 1.18 0.00 0.00 175.17 176.93 2dms h ILE 34 N -0.35 1.08 -0.03 0.77 6.09 -1.99 -1.63 117.51 121.44 2dms h ILE 34 Ca -0.33 -0.21 -0.01 0.00 -1.37 0.00 0.00 64.86 62.94 2dms h ILE 34 Cb 1.27 0.80 -0.00 0.00 0.47 0.00 0.00 36.82 39.36 2dms h ILE 34 CO 0.39 0.08 -0.00 -0.26 -3.07 0.00 0.00 178.15 175.29 2dms h PHE 35 N 0.29 0.07 0.54 2.19 0.04 -1.99 -1.82 116.94 116.26 2dms h PHE 35 Ca 0.08 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.81 2dms h PHE 35 Cb 0.03 -0.02 0.01 0.00 2.20 0.00 0.00 35.95 38.17 2dms h PHE 35 CO 0.00 0.37 -0.26 0.52 -0.60 0.00 0.00 178.31 178.34 2dms h MET 36 N -0.26 -0.70 -0.61 1.51 2.86 -1.85 -1.50 114.93 114.37 2dms h MET 36 Ca 0.01 0.05 0.12 0.00 -2.06 0.00 0.00 59.70 57.82 2dms h MET 36 Cb 0.35 0.16 -0.10 0.00 0.06 0.00 0.00 31.60 32.07 2dms h MET 36 CO 0.00 -0.44 0.07 0.00 1.06 0.00 0.00 176.91 177.60 2dms h ARG 37 N -0.80 0.18 0.06 1.72 3.08 -1.37 -1.58 114.38 115.65 2dms h ARG 37 Ca -0.07 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 59.98 2dms h ARG 37 Cb 0.59 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 2dms h ARG 37 CO 0.12 0.12 -0.11 0.93 -1.07 0.00 0.00 179.97 179.96 2dms h GLU 38 N 0.18 -0.20 -0.01 0.04 4.39 -1.20 -0.68 114.58 117.10 2dms h GLU 38 Ca 0.33 0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.04 2dms h GLU 38 Cb 0.52 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 2dms h GLU 38 CO -0.47 -0.14 -0.07 1.49 -1.16 0.00 0.00 179.01 178.66 2dms h GLU 39 N -0.21 -0.08 -0.13 2.33 4.57 -0.32 0.26 114.58 120.99 2dms h GLU 39 Ca 0.02 0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.23 2dms h GLU 39 Cb 0.23 0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 28.78 2dms h GLU 39 CO -0.07 -0.05 -0.50 0.28 -1.18 0.00 0.00 179.01 177.49 2dms h VAL 40 N -0.08 0.00 -1.30 0.32 2.07 -1.40 0.43 116.25 116.29 2dms h VAL 40 Ca 0.00 0.00 0.38 0.00 0.82 0.00 0.00 66.70 67.90 2dms h VAL 40 Cb 0.09 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.81 2dms h VAL 40 CO -0.05 0.00 1.02 0.00 0.02 0.00 0.00 177.57 178.55 2dms h ALA 41 N -0.38 3.21 0.00 1.67 0.00 -0.99 1.44 119.26 124.21 2dms h ALA 41 Ca 0.03 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 2dms h ALA 41 Cb 0.63 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 2dms h ALA 41 CO -0.41 -1.69 -1.41 -0.07 0.00 0.00 0.00 179.25 175.67 2dms h LEU 42 N 0.00 0.00 0.00 0.00 3.38 0.16 0.31 115.31 119.16 2dms h LEU 42 Ca 0.62 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.59 2dms h LEU 42 Cb 2.64 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 43.39 2dms h LEU 42 CO -0.01 0.68 -0.08 0.50 0.09 0.00 0.00 178.44 179.62 2dms h LYS 43 N 0.00 0.00 0.00 1.13 3.64 0.59 -3.31 116.57 118.62 2dms h LYS 43 Ca -0.18 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 2dms h LYS 43 Cb 1.68 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.50 2dms h LYS 43 CO 0.06 0.04 0.00 0.44 -2.27 0.00 0.00 179.45 177.71 2dms n ILE 44 N -4.75 0.59 -2.99 2.00 -5.35 0.13 -4.84 119.36 104.15 2dms n ILE 44 Ca -0.02 0.15 -0.12 0.00 -0.27 0.00 0.00 62.75 62.49 2dms n ILE 44 Cb 0.06 -0.99 0.06 0.00 -1.74 0.00 0.00 39.64 37.03 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 -1.21 -3.00 -4.10 7.28 5.15 -1.21 -4.85 115.26 113.32 2dms n ASN 45 Ca 0.05 -0.48 -0.11 0.00 -0.60 0.00 0.00 54.58 53.45 2dms n ASN 45 Cb 0.06 -3.95 -0.11 0.00 -0.53 0.00 0.00 39.78 35.26 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 -5.10 2.39 0.07 1.20 1.43 0.11 -5.02 118.68 113.76 2dms s LEU 46 Ca 0.10 -0.80 -0.31 0.00 -1.03 0.00 0.00 54.13 52.09 2dms s LEU 46 Cb -0.01 -0.05 -0.07 0.00 0.03 0.00 0.00 46.19 46.09 2dms s LEU 46 CO 0.54 -0.38 1.39 -2.16 0.23 0.00 0.00 176.35 175.98 2dms s PRO 47 N -2.83 4.31 0.48 1.29 0.04 -1.26 -4.20 135.00 132.83 2dms s PRO 47 Ca 0.01 2.03 0.43 0.00 0.04 0.00 0.00 61.00 63.51 2dms s PRO 47 Cb -0.01 -3.38 1.53 0.00 0.04 0.00 0.00 34.50 32.68 2dms s PRO 47 CO -0.03 -0.48 1.40 -1.91 0.04 0.00 0.00 177.00 176.01 2dms n GLU 48 N 4.50 -0.00 0.28 4.56 0.00 -1.26 0.63 120.64 129.33 2dms n GLU 48 Ca 0.12 1.00 -0.15 0.00 0.00 0.00 0.00 57.16 58.13 2dms n GLU 48 Cb 0.43 -2.25 -0.08 0.00 0.00 0.00 0.00 31.44 29.54 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 -0.60 -1.08 4.31 0.02 -1.97 -1.84 113.55 112.40 2dms h SER 49 Ca 0.84 -0.05 0.30 0.00 -0.84 0.00 0.00 61.79 62.03 2dms h SER 49 Cb 3.28 0.15 -0.10 0.00 0.14 0.00 0.00 62.40 65.87 2dms h SER 49 CO -0.07 -0.28 0.69 0.03 -1.14 0.00 0.00 176.83 176.06 2dms h ARG 50 N -0.93 0.34 0.11 3.45 2.47 -0.18 0.11 114.38 119.75 2dms h ARG 50 Ca -0.07 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.62 2dms h ARG 50 Cb 0.62 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.86 2dms h ARG 50 CO 0.12 0.22 -0.05 0.28 0.56 0.00 0.00 179.97 181.10 2dms h VAL 51 N 0.35 1.09 -0.72 2.04 2.07 -1.35 -0.12 116.25 119.61 2dms h VAL 51 Ca 0.64 -0.99 0.06 0.00 0.82 0.00 0.00 66.70 67.23 2dms h VAL 51 Cb 1.67 1.70 -0.06 0.00 -1.52 0.00 0.00 31.29 33.08 2dms h VAL 51 CO -0.34 0.23 0.42 -0.61 0.02 0.00 0.00 177.57 177.29 2dms h GLN 52 N -0.63 0.74 0.36 1.57 5.75 -0.21 -2.96 115.11 119.73 2dms h GLN 52 Ca -0.02 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.42 2dms h GLN 52 Cb 0.49 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 28.88 2dms h GLN 52 CO 0.03 0.49 -0.17 0.28 -2.65 0.00 0.00 178.83 176.80 2dms h VAL 53 N 0.76 0.56 -1.33 2.39 2.07 -0.90 -2.96 116.25 116.83 2dms h VAL 53 Ca 0.32 -0.61 0.39 0.00 0.82 0.00 0.00 66.70 67.62 2dms h VAL 53 Cb 0.19 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 2dms h VAL 53 CO -0.18 0.10 1.21 1.87 0.02 0.00 0.00 177.57 180.59 2dms n TRP 54 N -5.15 0.00 -0.04 1.57 -0.00 -0.06 -0.44 117.44 113.33 2dms n TRP 54 Ca -0.09 0.00 -0.00 0.00 -0.00 0.00 0.00 57.50 57.40 2dms n TRP 54 Cb 0.28 -0.33 -0.00 0.00 -0.00 0.00 0.00 31.31 31.25 2dms n TRP 54 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 177.69 178.43 2dms h PHE 55 N 0.00 0.00 -1.00 5.87 -1.00 -1.40 -2.91 116.94 116.50 2dms h PHE 55 Ca 0.63 0.00 0.37 0.00 2.81 0.00 0.00 57.97 61.78 2dms h PHE 55 Cb 3.04 0.00 -0.17 0.00 3.61 0.00 0.00 35.95 42.43 2dms h PHE 55 CO 0.00 0.00 0.52 1.57 -1.61 0.00 0.00 178.31 178.79 2dms h LYS 56 N -0.68 0.12 0.51 1.51 2.10 -0.61 0.46 116.57 119.98 2dms h LYS 56 Ca 0.00 -0.01 -0.03 0.00 -2.00 0.00 0.00 60.65 58.62 2dms h LYS 56 Cb 0.05 -0.03 0.01 0.00 -0.90 0.00 0.00 32.23 31.35 2dms h LYS 56 CO 0.00 0.08 -0.25 -0.91 -2.00 0.00 0.00 179.45 176.37 2dms h ASN 57 N 0.12 -0.58 0.46 7.07 2.35 -1.43 -2.92 115.58 120.65 2dms h ASN 57 Ca 0.79 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 56.48 2dms h ASN 57 Cb 1.97 0.15 -0.00 0.00 0.05 0.00 0.00 38.32 40.49 2dms h ASN 57 CO -0.71 -0.18 -0.29 0.03 -1.65 0.00 0.00 177.43 174.62 2dms h ARG 58 N -1.10 -0.68 -0.78 0.81 2.47 -0.76 -2.75 114.38 111.59 2dms h ARG 58 Ca -0.07 0.05 0.09 0.00 -1.26 0.00 0.00 59.98 58.78 2dms h ARG 58 Cb 0.59 0.15 -0.11 0.00 -1.65 0.00 0.00 29.97 28.96 2dms h ARG 58 CO 0.12 -0.45 -0.41 -2.13 0.56 0.00 0.00 179.97 177.65 2dms n ARG 59 N -4.18 -0.29 -0.16 0.04 0.63 0.14 0.43 116.66 113.27 2dms n ARG 59 Ca -0.09 1.19 -0.06 0.00 -0.92 0.00 0.00 57.85 57.98 2dms n ARG 59 Cb 0.30 -1.76 0.00 0.00 0.45 0.00 0.00 32.46 31.45 2dms n ARG 59 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2dms h ALA 60 N 0.64 -0.05 -0.97 5.13 0.00 -1.43 0.04 119.26 122.62 2dms h ALA 60 Ca 0.18 0.15 0.29 0.00 0.00 0.00 0.00 54.91 55.52 2dms h ALA 60 Cb 0.37 0.70 -0.18 0.00 0.00 0.00 0.00 17.79 18.69 2dms h ALA 60 CO -0.75 -0.66 0.13 -0.22 0.00 0.00 0.00 179.25 177.75 2dms h LYS 61 N -0.18 0.04 0.59 0.00 3.64 0.28 0.93 116.57 121.86 2dms h LYS 61 Ca 0.21 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 2dms h LYS 61 Cb 0.53 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 2dms h LYS 61 CO -0.60 0.02 -0.45 0.00 -2.27 0.00 0.00 179.45 176.15 2dms h ARG 63 N -1.00 -0.58 -0.08 0.00 3.08 -0.73 -2.55 114.38 112.51 2dms h ARG 63 Ca -0.07 0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.06 2dms h ARG 63 Cb 0.84 0.13 -0.06 0.00 0.08 0.00 0.00 29.97 30.96 2dms h ARG 63 CO 0.02 -0.39 -0.38 0.37 -1.07 0.00 0.00 179.97 178.52 2dms h GLN 64 N -0.60 -0.47 -6.05 0.04 -0.00 -1.23 -3.41 115.11 103.40 2dms h GLN 64 Ca 0.03 0.03 -0.58 0.00 -0.00 0.00 0.00 58.65 58.13 2dms h GLN 64 Cb 0.69 0.11 0.20 0.00 0.00 0.00 0.00 27.48 28.47 2dms h GLN 64 CO -0.41 -0.31 -1.28 0.94 0.00 0.00 0.00 178.83 177.77 2dms n GLN 65 N -5.43 0.03 -1.10 1.69 7.27 0.25 -4.44 117.38 115.64 2dms n GLN 65 Ca -0.04 0.01 -0.48 0.00 0.07 0.00 0.00 57.00 56.56 2dms n GLN 65 Cb 0.35 -1.06 -0.11 0.00 2.41 0.00 0.00 30.24 31.83 2dms n GLN 65 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2dms n GLN 66 N 1.60 0.00 -4.30 3.69 10.64 -1.26 -4.88 117.38 122.87 2dms n GLN 66 Ca 0.06 0.00 -0.16 0.00 -1.83 0.00 0.00 57.00 55.07 2dms n GLN 66 Cb 0.50 -1.27 -0.10 0.00 -0.86 0.00 0.00 30.24 28.50 2dms n GLN 66 CO 0.00 0.00 0.00 1.14 -1.83 0.00 0.00 177.06 176.37 2dms s GLN 67 N 5.57 1.37 -0.47 2.61 -2.07 -1.26 -5.07 119.66 120.34 2dms s GLN 67 Ca 1.04 -1.73 -0.42 0.00 -1.82 0.00 0.00 55.36 52.43 2dms s GLN 67 Cb -1.23 -0.17 -0.18 0.00 -1.09 0.00 0.00 33.01 30.33 2dms s GLN 67 CO 0.53 -0.31 1.83 0.94 -1.32 0.00 0.00 175.29 176.96 2dms n GLN 68 N -0.43 0.00 -3.80 9.60 -0.06 -1.26 -4.88 117.38 116.55 2dms n GLN 68 Ca 0.00 0.00 -0.37 0.00 -2.00 0.00 0.00 57.00 54.63 2dms n GLN 68 Cb 0.66 -1.40 -0.13 0.00 -4.06 0.00 0.00 30.24 25.32 2dms n GLN 68 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 2dms s GLN 69 N 4.68 2.64 0.38 3.69 -1.52 -1.26 -5.09 119.66 123.17 2dms s GLN 69 Ca 1.07 -1.15 0.08 0.00 -1.95 0.00 0.00 55.36 53.41 2dms s GLN 69 Cb -1.40 -3.36 -0.04 0.00 -0.22 0.00 0.00 33.01 27.99 2dms s GLN 69 CO 0.66 -0.62 0.17 -0.65 -0.25 0.00 0.00 175.29 174.61 2dms s GLN 70 N 1.38 2.31 0.21 2.91 -0.21 -1.26 -5.13 119.66 119.87 2dms s GLN 70 Ca -0.02 -1.68 -0.15 0.00 0.02 0.00 0.00 55.36 53.53 2dms s GLN 70 Cb -0.19 -2.10 -0.08 0.00 1.00 0.00 0.00 33.01 31.64 2dms s GLN 70 CO 0.02 -0.01 0.62 1.21 -2.12 0.00 0.00 175.29 175.01 2dms s ASN 71 N -3.89 6.83 0.00 5.90 3.84 -1.26 -4.87 114.94 121.49 2dms s ASN 71 Ca 0.40 1.16 0.00 0.00 0.21 0.00 0.00 52.86 54.63 2dms s ASN 71 Cb 0.00 -2.32 0.00 0.00 -0.55 0.00 0.00 41.25 38.38 2dms s ASN 71 CO 0.23 -0.00 0.00 0.61 -2.79 0.00 0.00 177.10 175.15 2dms n GLY 72 N 0.39 -2.30 0.00 1.21 0.00 -1.26 -5.18 105.19 98.06 2dms n GLY 72 Ca -0.02 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.76 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 -1.04 2.59 4.01 -0.02 0.00 -1.26 -5.10 105.19 104.37 2dms n GLY 73 Ca 0.00 -2.09 -0.18 0.00 0.00 0.00 0.00 46.02 43.75 2dms n GLY 73 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2dms s GLN 74 N -2.24 2.67 -0.31 1.61 -2.07 -1.26 -5.10 119.66 112.96 2dms s GLN 74 Ca 0.00 -1.29 -0.02 0.00 -1.82 0.00 0.00 55.36 52.22 2dms s GLN 74 Cb 0.00 -2.71 0.05 0.00 -1.09 0.00 0.00 33.01 29.27 2dms s GLN 74 CO 0.00 -0.46 0.03 -1.12 -1.32 0.00 0.00 175.29 172.42 2dms s SER 75 N -4.43 4.97 0.00 12.60 0.01 -1.26 -5.03 113.70 120.56 2dms s SER 75 Ca 0.57 -1.33 0.00 0.00 1.31 0.00 0.00 55.95 56.50 2dms s SER 75 Cb -0.09 -1.74 0.00 0.00 0.21 0.00 0.00 66.02 64.40 2dms s SER 75 CO 0.35 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.32 2dms n GLY 76 N 4.64 4.27 0.07 3.44 0.00 -1.26 -4.95 105.19 111.39 2dms n GLY 76 Ca -0.12 -0.77 0.10 0.00 0.00 0.00 0.00 46.02 45.23 2dms n GLY 76 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dms n PRO 77 N -1.50 0.11 -4.08 1.61 -0.04 -1.26 -4.82 135.00 125.02 2dms n PRO 77 Ca 0.00 0.35 -0.13 0.00 -0.04 0.00 0.00 63.50 63.68 2dms n PRO 77 Cb 0.00 -1.70 -0.05 0.00 -0.04 0.00 0.00 33.50 31.70 2dms n PRO 77 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dms s SER 78 N -3.68 0.55 -0.24 3.54 0.01 -1.26 -5.15 113.70 107.47 2dms s SER 78 Ca 0.05 -1.33 -0.08 0.00 1.31 0.00 0.00 55.95 55.91 2dms s SER 78 Cb 0.09 0.60 -0.03 0.00 0.21 0.00 0.00 66.02 66.89 2dms s SER 78 CO 0.33 -1.19 0.09 -0.44 0.41 0.00 0.00 173.24 172.44 2dms s SER 79 N -3.17 5.33 0.00 2.44 0.01 -1.26 -5.00 113.70 112.04 2dms s SER 79 Ca 0.30 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.42 2dms s SER 79 Cb 0.01 -1.96 0.00 0.00 0.21 0.00 0.00 66.02 64.28 2dms s SER 79 CO 0.16 -0.01 0.11 0.61 0.41 0.00 0.00 173.24 174.53