#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 4.32 0.16 1.61 0.01 -1.26 -4.99 113.70 113.55 2dms s SER 2 Ca 0.00 -2.75 -0.30 0.00 1.31 0.00 0.00 55.95 54.21 2dms s SER 2 Cb 0.00 -1.55 -0.05 0.00 0.21 0.00 0.00 66.02 64.64 2dms s SER 2 CO 0.00 -0.27 1.55 0.28 0.41 0.00 0.00 173.24 175.21 2dms h SER 3 N 6.81 -1.90 -1.62 2.44 0.02 -2.15 -3.47 113.55 113.67 2dms h SER 3 Ca -0.07 0.28 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 2dms h SER 3 Cb 0.93 0.83 0.00 0.00 0.14 0.00 0.00 62.40 64.29 2dms h SER 3 CO 0.62 -0.32 0.00 0.61 -1.14 0.00 0.00 176.83 176.61 2dms n GLY 4 N -1.34 -0.73 3.74 -3.77 0.00 -1.26 -5.05 105.19 96.79 2dms n GLY 4 Ca 0.00 -0.41 -0.40 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.31 7.28 -0.17 1.61 0.01 -1.26 -5.05 113.70 115.81 2dms s SER 5 Ca 0.00 1.53 -0.04 0.00 1.31 0.00 0.00 55.95 58.75 2dms s SER 5 Cb 0.00 -2.49 0.08 0.00 0.21 0.00 0.00 66.02 63.81 2dms s SER 5 CO 0.00 -0.00 0.22 -0.44 0.41 0.00 0.00 173.24 173.43 2dms s SER 6 N -0.05 1.02 -0.61 2.44 0.01 -1.26 -5.11 113.70 110.14 2dms s SER 6 Ca 0.40 0.07 -0.22 0.00 1.31 0.00 0.00 55.95 57.50 2dms s SER 6 Cb -0.21 0.44 0.06 0.00 0.21 0.00 0.00 66.02 66.52 2dms s SER 6 CO 0.24 -0.29 0.92 -0.83 0.41 0.00 0.00 173.24 173.69 2dms s GLY 7 N 2.34 1.43 0.03 3.44 0.00 -1.26 -4.99 107.32 108.32 2dms s GLY 7 Ca 0.05 -1.69 -0.12 0.00 0.00 0.00 0.00 44.72 42.96 2dms s GLY 7 CO -0.10 1.99 0.25 0.50 0.00 0.00 0.00 173.10 175.73 2dms s ARG 8 N 3.85 0.72 -0.58 2.90 0.52 -1.26 -5.12 118.95 119.99 2dms s ARG 8 Ca 0.23 -0.52 -0.12 0.00 -0.52 0.00 0.00 55.73 54.80 2dms s ARG 8 Cb -0.16 0.31 0.15 0.00 0.52 0.00 0.00 34.95 35.76 2dms s ARG 8 CO 0.12 -0.22 0.49 -0.98 0.02 0.00 0.00 175.30 174.74 2dms s ARG 9 N -2.36 2.90 -0.39 3.54 3.03 -1.26 -5.03 118.95 119.39 2dms s ARG 9 Ca -0.07 -1.92 -0.40 0.00 2.03 0.00 0.00 55.73 55.37 2dms s ARG 9 Cb -0.02 -4.16 -0.17 0.00 -1.03 0.00 0.00 34.95 29.57 2dms s ARG 9 CO -0.02 -1.27 1.34 -1.91 -1.13 0.00 0.00 175.30 172.31 2dms n GLU 10 N 4.78 0.00 -0.71 3.89 2.13 -1.26 -4.87 120.64 124.60 2dms n GLU 10 Ca -0.05 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.48 2dms n GLU 10 Cb 0.41 -1.30 0.23 0.00 0.27 0.00 0.00 31.44 31.05 2dms n GLU 10 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 2dms s ARG 11 N 2.31 -0.57 -0.02 5.31 3.52 -1.26 -4.99 118.95 123.26 2dms s ARG 11 Ca 0.90 0.77 0.02 0.00 -0.13 0.00 0.00 55.73 57.29 2dms s ARG 11 Cb -1.28 -1.60 -0.04 0.00 -1.56 0.00 0.00 34.95 30.48 2dms s ARG 11 CO 0.69 -3.47 0.03 -2.37 -0.81 0.00 0.00 175.30 169.37 2dms n THR 12 N -4.73 0.11 -2.81 4.11 5.66 -1.26 -5.02 114.28 110.34 2dms n THR 12 Ca 0.04 -0.09 -0.40 0.00 -3.05 0.00 0.00 64.05 60.54 2dms n THR 12 Cb 0.55 -0.41 -0.05 0.00 -1.55 0.00 0.00 70.33 68.87 2dms n THR 12 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2dms s THR 13 N -2.11 4.44 -0.07 1.09 2.01 -1.26 -5.03 115.64 114.71 2dms s THR 13 Ca -0.01 1.96 -0.27 0.00 0.31 0.00 0.00 61.69 63.68 2dms s THR 13 Cb 0.01 -4.27 -0.03 0.00 0.01 0.00 0.00 72.50 68.23 2dms s THR 13 CO 0.11 0.39 0.85 -0.36 -0.69 0.00 0.00 174.62 174.91 2dms s PHE 14 N -0.38 3.56 0.53 4.92 0.40 -1.26 -5.05 117.98 120.70 2dms s PHE 14 Ca 0.43 1.43 -0.11 0.00 -0.60 0.00 0.00 56.93 58.08 2dms s PHE 14 Cb -0.23 -2.99 -0.05 0.00 0.51 0.00 0.00 43.02 40.25 2dms s PHE 14 CO 0.29 -0.04 0.93 -0.08 0.70 0.00 0.00 175.22 177.01 2dms s THR 15 N 1.27 4.71 0.29 0.64 -1.32 -1.26 -4.72 115.64 115.25 2dms s THR 15 Ca 0.43 0.81 -0.05 0.00 -1.21 0.00 0.00 61.69 61.68 2dms s THR 15 Cb -0.19 -3.80 0.45 0.00 -1.51 0.00 0.00 72.50 67.45 2dms s THR 15 CO 0.20 -0.85 1.56 0.03 -2.21 0.00 0.00 174.62 173.35 2dms h ARG 16 N 0.41 0.00 0.26 7.08 2.47 -1.98 0.33 114.38 122.95 2dms h ARG 16 Ca -0.46 -0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.25 2dms h ARG 16 Cb 1.19 -0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.51 2dms h ARG 16 CO 0.62 0.00 -0.15 0.00 0.56 0.00 0.00 179.97 181.01 2dms h ALA 17 N 2.00 -0.37 -0.07 0.04 0.00 -1.99 0.60 119.26 119.46 2dms h ALA 17 Ca 0.52 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.39 2dms h ALA 17 Cb 0.91 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 2dms h ALA 17 CO -1.00 -0.72 -0.12 1.96 0.00 0.00 0.00 179.25 179.37 2dms h GLN 18 N -0.38 -0.17 0.45 0.00 4.20 -0.87 -2.62 115.11 115.73 2dms h GLN 18 Ca -0.03 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 2dms h GLN 18 Cb 0.31 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 2dms h GLN 18 CO 0.04 -0.11 -0.29 -0.07 -0.67 0.00 0.00 178.83 177.73 2dms h LEU 19 N -0.17 -0.73 -0.76 1.46 3.38 -0.52 -0.47 115.31 117.50 2dms h LEU 19 Ca 0.07 0.04 0.29 0.00 0.09 0.00 0.00 57.88 58.37 2dms h LEU 19 Cb 0.27 0.21 -0.14 0.00 0.09 0.00 0.00 40.66 41.09 2dms h LEU 19 CO -0.17 -0.44 0.31 -0.67 0.09 0.00 0.00 178.44 177.56 2dms n ASP 20 N -4.12 0.18 0.01 -0.43 2.03 0.19 0.82 116.55 115.23 2dms n ASP 20 Ca -0.09 1.27 -0.12 0.00 0.52 0.00 0.00 54.79 56.38 2dms n ASP 20 Cb 0.29 -0.58 -0.09 0.00 -0.72 0.00 0.00 41.12 40.02 2dms n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2dms h VAL 21 N 0.00 1.19 -0.34 5.18 2.07 -1.09 -0.91 116.25 122.35 2dms h VAL 21 Ca 0.60 -1.34 0.07 0.00 0.82 0.00 0.00 66.70 66.85 2dms h VAL 21 Cb 1.53 2.00 -0.06 0.00 -1.52 0.00 0.00 31.29 33.23 2dms h VAL 21 CO -0.62 0.31 -0.07 -0.07 0.02 0.00 0.00 177.57 177.14 2dms h LEU 22 N -0.76 -0.28 -0.23 2.57 3.38 0.21 -1.12 115.31 119.08 2dms h LEU 22 Ca -0.01 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2dms h LEU 22 Cb 0.59 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 2dms h LEU 22 CO 0.02 -0.10 0.02 -0.33 0.09 0.00 0.00 178.44 178.14 2dms h GLU 23 N 0.02 0.40 -0.63 1.13 5.08 -0.66 -2.09 114.58 117.82 2dms h GLU 23 Ca 0.17 -0.12 0.13 0.00 -1.00 0.00 0.00 59.36 58.54 2dms h GLU 23 Cb 0.25 -0.04 -0.10 0.00 0.50 0.00 0.00 28.75 29.35 2dms h GLU 23 CO -0.34 0.56 0.04 0.00 -1.00 0.00 0.00 179.01 178.27 2dms h ALA 24 N 0.83 0.67 -0.03 3.43 0.00 -0.64 0.67 119.26 124.18 2dms h ALA 24 Ca 0.07 0.18 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 2dms h ALA 24 Cb 0.36 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2dms h ALA 24 CO 0.01 -0.38 -0.45 1.25 0.00 0.00 0.00 179.25 179.68 2dms h LEU 25 N 0.15 0.08 -0.40 0.00 5.85 -1.14 -2.78 115.31 117.06 2dms h LEU 25 Ca 0.34 -0.03 -0.15 0.00 0.84 0.00 0.00 57.88 58.87 2dms h LEU 25 Cb 0.55 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 2dms h LEU 25 CO -0.52 0.52 -0.72 0.15 -0.34 0.00 0.00 178.44 177.53 2dms h PHE 26 N 0.06 0.00 0.00 1.25 3.04 0.01 -1.51 116.94 119.79 2dms h PHE 26 Ca 0.00 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.93 2dms h PHE 26 Cb 0.82 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.32 2dms h PHE 26 CO 0.00 0.72 -0.12 0.00 -2.02 0.00 0.00 178.31 176.90 2dms h ALA 27 N 1.28 0.99 0.00 2.41 0.00 0.47 -3.13 119.26 121.28 2dms h ALA 27 Ca -0.01 -0.11 -0.33 0.00 0.00 0.00 0.00 54.91 54.47 2dms h ALA 27 Cb 1.37 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.07 2dms h ALA 27 CO 0.09 0.15 -2.19 0.36 0.00 0.00 0.00 179.25 177.66 2dms n LYS 28 N -3.22 0.67 -3.27 0.00 2.85 -1.14 -4.92 118.16 109.13 2dms n LYS 28 Ca 0.01 0.06 0.02 0.00 -1.05 0.00 0.00 58.31 57.35 2dms n LYS 28 Cb 0.41 -1.59 -0.02 0.00 -0.65 0.00 0.00 35.03 33.17 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 -2.57 -0.96 0.36 0.58 -1.32 -0.58 -5.03 115.64 106.13 2dms s THR 29 Ca -0.08 -0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.43 2dms s THR 29 Cb 0.07 -0.97 0.23 0.00 -1.51 0.00 0.00 72.50 70.31 2dms s THR 29 CO 0.83 -0.01 1.98 0.03 -2.21 0.00 0.00 174.62 175.24 2dms h ARG 30 N 8.02 0.67 -3.28 7.08 -0.00 -1.79 -3.30 114.38 121.78 2dms h ARG 30 Ca -0.22 -0.07 -0.69 0.00 -0.50 0.00 0.00 59.98 58.51 2dms h ARG 30 Cb 1.15 -0.13 -0.37 0.00 0.00 0.00 0.00 29.97 30.62 2dms h ARG 30 CO 0.23 0.51 -0.19 0.71 0.00 0.00 0.00 179.97 181.23 2dms s TYR 31 N -5.43 3.83 0.07 3.04 2.02 -1.26 -4.94 117.35 114.68 2dms s TYR 31 Ca -0.09 -3.09 -0.31 0.00 -0.37 0.00 0.00 57.07 53.22 2dms s TYR 31 Cb 0.17 -3.14 -0.07 0.00 -0.40 0.00 0.00 41.96 38.52 2dms s TYR 31 CO 0.76 -0.70 1.40 -1.25 -1.57 0.00 0.00 175.55 174.18 2dms s PRO 32 N -1.35 4.30 0.71 -1.71 0.04 -1.24 -4.99 135.00 130.76 2dms s PRO 32 Ca 0.27 2.03 -0.15 0.00 0.04 0.00 0.00 61.00 63.19 2dms s PRO 32 Cb -0.07 -3.40 0.03 0.00 0.04 0.00 0.00 34.50 31.10 2dms s PRO 32 CO -0.13 -0.50 1.19 -0.51 0.04 0.00 0.00 177.00 177.10 2dms s ASP 33 N 1.48 4.37 0.29 6.66 1.01 -1.26 -4.58 116.67 124.64 2dms s ASP 33 Ca 0.65 2.31 0.08 0.00 0.71 0.00 0.00 52.55 56.29 2dms s ASP 33 Cb -0.35 -2.58 0.86 0.00 1.01 0.00 0.00 42.92 41.86 2dms s ASP 33 CO 0.29 -2.14 1.39 0.00 0.21 0.00 0.00 175.17 174.92 2dms n ILE 34 N -2.63 -0.37 -0.19 0.77 0.00 -1.26 0.15 119.36 115.83 2dms n ILE 34 Ca 0.13 1.90 -0.01 0.00 0.00 0.00 0.00 62.75 64.77 2dms n ILE 34 Cb 0.50 -2.88 0.10 0.00 0.00 0.00 0.00 39.64 37.36 2dms n ILE 34 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 2dms h PHE 35 N 0.00 0.33 -0.11 9.51 0.04 -2.00 0.98 116.94 125.70 2dms h PHE 35 Ca 0.61 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 61.41 2dms h PHE 35 Cb 1.42 -0.06 -0.00 0.00 2.20 0.00 0.00 35.95 39.51 2dms h PHE 35 CO -0.30 0.07 0.05 0.52 -0.60 0.00 0.00 178.31 178.05 2dms h MET 36 N 0.36 0.16 -0.48 1.51 2.86 0.10 -1.88 114.93 117.57 2dms h MET 36 Ca 0.29 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.94 2dms h MET 36 Cb 0.36 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.95 2dms h MET 36 CO -0.31 0.26 0.23 0.00 1.06 0.00 0.00 176.91 178.16 2dms h ARG 37 N 0.03 0.45 -0.02 1.72 3.08 -0.78 -2.28 114.38 116.58 2dms h ARG 37 Ca 0.04 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.07 2dms h ARG 37 Cb 0.16 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 2dms h ARG 37 CO -0.00 0.30 -0.06 0.93 -1.07 0.00 0.00 179.97 180.06 2dms h GLU 38 N 0.46 -0.10 0.04 0.04 4.39 -0.70 -0.29 114.58 118.43 2dms h GLU 38 Ca 0.21 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.92 2dms h GLU 38 Cb 0.13 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 2dms h GLU 38 CO -0.15 -0.07 -0.21 1.49 -1.16 0.00 0.00 179.01 178.91 2dms h GLU 39 N -0.10 -0.29 0.04 2.33 4.81 -1.01 -0.76 114.58 119.61 2dms h GLU 39 Ca 0.03 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.30 2dms h GLU 39 Cb 0.14 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.54 2dms h GLU 39 CO -0.08 -0.19 -0.47 0.28 -0.73 0.00 0.00 179.01 177.82 2dms h VAL 40 N -0.30 0.00 -0.52 0.32 2.07 -1.40 0.32 116.25 116.74 2dms h VAL 40 Ca -0.00 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.67 2dms h VAL 40 Cb 0.30 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.05 2dms h VAL 40 CO -0.12 0.00 0.83 0.00 0.02 0.00 0.00 177.57 178.30 2dms h ALA 41 N -0.60 2.31 0.00 1.67 0.00 -0.96 1.47 119.26 123.15 2dms h ALA 41 Ca 0.00 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.64 2dms h ALA 41 Cb 0.65 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 2dms h ALA 41 CO -0.29 -1.10 -1.83 1.28 0.00 0.00 0.00 179.25 177.31 2dms n LEU 42 N -3.19 0.56 -0.06 0.00 4.77 0.47 -0.48 117.00 119.08 2dms n LEU 42 Ca 0.11 0.26 -0.03 0.00 -0.03 0.00 0.00 56.01 56.31 2dms n LEU 42 Cb 1.01 0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 42.30 2dms n LEU 42 CO 0.19 0.32 -0.01 0.50 -1.33 0.00 0.00 177.39 177.06 2dms h LYS 43 N 0.00 0.00 0.00 3.23 3.64 0.54 -3.31 116.57 120.66 2dms h LYS 43 Ca -0.30 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 2dms h LYS 43 Cb 1.88 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.70 2dms h LYS 43 CO 0.05 0.17 0.00 0.44 -2.27 0.00 0.00 179.45 177.84 2dms n ILE 44 N -4.72 0.23 -3.21 2.00 -5.35 0.88 -4.85 119.36 104.32 2dms n ILE 44 Ca -0.03 0.06 -0.15 0.00 -0.27 0.00 0.00 62.75 62.36 2dms n ILE 44 Cb 0.12 -0.84 0.07 0.00 -1.74 0.00 0.00 39.64 37.25 2dms n ILE 44 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2dms n ASN 45 N -1.10 -3.50 -4.15 7.28 3.02 -1.23 -4.89 115.26 110.69 2dms n ASN 45 Ca 0.09 -0.59 -0.13 0.00 -0.03 0.00 0.00 54.58 53.92 2dms n ASN 45 Cb 0.07 -4.69 -0.11 0.00 -0.61 0.00 0.00 39.78 34.43 2dms n ASN 45 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2dms s LEU 46 N -5.65 2.40 0.01 3.41 1.43 0.37 -5.02 118.68 115.63 2dms s LEU 46 Ca 0.15 -0.81 -0.30 0.00 -1.03 0.00 0.00 54.13 52.14 2dms s LEU 46 Cb -0.02 -0.21 -0.06 0.00 0.03 0.00 0.00 46.19 45.93 2dms s LEU 46 CO 0.66 -0.31 1.44 -2.16 0.23 0.00 0.00 176.35 176.21 2dms s PRO 47 N -2.80 4.27 0.47 1.29 0.04 -1.26 -4.26 135.00 132.75 2dms s PRO 47 Ca 0.04 2.02 0.41 0.00 0.04 0.00 0.00 61.00 63.51 2dms s PRO 47 Cb -0.02 -3.57 1.49 0.00 0.04 0.00 0.00 34.50 32.44 2dms s PRO 47 CO -0.01 -0.59 1.38 -1.91 0.04 0.00 0.00 177.00 175.90 2dms n GLU 48 N 5.36 -0.01 0.04 4.56 0.00 -1.26 0.14 120.64 129.47 2dms n GLU 48 Ca 0.13 0.99 -0.13 0.00 0.00 0.00 0.00 57.16 58.16 2dms n GLU 48 Cb 0.43 -2.21 -0.09 0.00 0.00 0.00 0.00 31.44 29.58 2dms n GLU 48 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 2dms h SER 49 N 0.00 -0.06 -0.76 4.31 4.64 -1.97 -2.52 113.55 117.20 2dms h SER 49 Ca 0.82 -0.25 0.15 0.00 -0.47 0.00 0.00 61.79 62.05 2dms h SER 49 Cb 3.17 0.02 -0.10 0.00 -0.31 0.00 0.00 62.40 65.17 2dms h SER 49 CO -0.10 0.22 0.27 0.03 -0.87 0.00 0.00 176.83 176.38 2dms h ARG 50 N -0.34 0.38 0.61 4.77 2.47 0.87 -1.58 114.38 121.57 2dms h ARG 50 Ca -0.01 -0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.66 2dms h ARG 50 Cb 0.30 -0.09 0.01 0.00 -1.65 0.00 0.00 29.97 28.54 2dms h ARG 50 CO 0.01 0.25 -0.29 0.28 0.56 0.00 0.00 179.97 180.78 2dms h VAL 51 N 0.39 0.40 -1.01 2.04 2.07 -1.44 -0.71 116.25 117.99 2dms h VAL 51 Ca 0.42 -0.02 0.25 0.00 0.82 0.00 0.00 66.70 68.17 2dms h VAL 51 Cb 0.68 0.41 -0.12 0.00 -1.52 0.00 0.00 31.29 30.73 2dms h VAL 51 CO -0.44 0.00 0.60 -0.61 0.02 0.00 0.00 177.57 177.15 2dms h GLN 52 N -0.83 0.55 0.17 1.57 4.15 -0.94 -1.60 115.11 118.18 2dms h GLN 52 Ca -0.08 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.29 2dms h GLN 52 Cb 0.63 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.20 2dms h GLN 52 CO 0.14 0.36 -0.08 0.28 -1.93 0.00 0.00 178.83 177.60 2dms h VAL 53 N 0.56 0.00 -0.85 2.39 2.07 -0.99 -2.42 116.25 117.01 2dms h VAL 53 Ca 0.64 -0.14 0.30 0.00 0.82 0.00 0.00 66.70 68.32 2dms h VAL 53 Cb 1.26 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.87 2dms h VAL 53 CO -0.46 0.00 0.25 1.87 0.02 0.00 0.00 177.57 179.25 2dms n TRP 54 N -3.01 0.78 0.29 1.57 -0.00 -0.30 0.23 117.44 117.00 2dms n TRP 54 Ca -0.03 1.02 -0.15 0.00 -0.00 0.00 0.00 57.50 58.34 2dms n TRP 54 Cb 0.09 -1.29 -0.08 0.00 -0.00 0.00 0.00 31.31 30.04 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 -0.69 -1.17 5.87 -1.00 -1.34 -2.46 116.94 116.14 2dms h PHE 55 Ca 0.62 -0.02 0.33 0.00 2.81 0.00 0.00 57.97 61.72 2dms h PHE 55 Cb 1.51 0.23 -0.07 0.00 3.61 0.00 0.00 35.95 41.23 2dms h PHE 55 CO -0.22 -0.36 0.82 0.87 -1.61 0.00 0.00 178.31 177.81 2dms h LYS 56 N -0.96 0.11 -0.23 1.51 1.57 0.30 0.53 116.57 119.40 2dms h LYS 56 Ca -0.08 -0.01 -0.20 0.00 -1.87 0.00 0.00 60.65 58.50 2dms h LYS 56 Cb 0.64 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2dms h LYS 56 CO 0.12 0.07 -0.63 -0.91 -0.57 0.00 0.00 179.45 177.53 2dms h ASN 57 N 0.11 0.92 0.21 0.86 4.21 -0.99 -3.00 115.58 117.91 2dms h ASN 57 Ca 0.60 -0.54 -0.01 0.00 1.21 0.00 0.00 56.30 57.56 2dms h ASN 57 Cb 2.11 -0.27 0.00 0.00 -1.12 0.00 0.00 38.32 39.04 2dms h ASN 57 CO -0.11 1.33 -0.10 0.03 -1.29 0.00 0.00 177.43 177.29 2dms h ARG 58 N 0.60 -0.28 -0.73 0.81 2.47 0.42 -3.11 114.38 114.57 2dms h ARG 58 Ca -0.01 0.02 0.21 0.00 -1.26 0.00 0.00 59.98 58.94 2dms h ARG 58 Cb 1.24 0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 29.60 2dms h ARG 58 CO 0.13 -0.18 0.96 0.07 0.56 0.00 0.00 179.97 181.51 2dms h ARG 59 N -0.68 0.00 -0.10 0.04 0.11 -1.13 0.95 114.38 113.57 2dms h ARG 59 Ca -0.03 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.87 2dms h ARG 59 Cb 0.22 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.31 2dms h ARG 59 CO 0.05 0.00 -0.63 0.00 0.10 0.00 0.00 179.97 179.49 2dms h ALA 60 N 0.77 0.21 -1.24 0.08 0.00 -1.53 -3.23 119.26 114.32 2dms h ALA 60 Ca 0.34 -0.55 0.43 0.00 0.00 0.00 0.00 54.91 55.13 2dms h ALA 60 Cb 2.25 -0.00 -0.12 0.00 0.00 0.00 0.00 17.79 19.92 2dms h ALA 60 CO -0.00 0.48 0.80 1.17 0.00 0.00 0.00 179.25 181.70 2dms n LYS 61 N -4.12 -0.03 -0.26 0.00 4.81 0.33 0.20 118.16 119.09 2dms n LYS 61 Ca -0.08 1.10 -0.02 0.00 -0.87 0.00 0.00 58.31 58.44 2dms n LYS 61 Cb 0.67 -2.18 0.05 0.00 0.02 0.00 0.00 35.03 33.59 2dms n LYS 61 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2dms h ARG 63 N -0.07 0.66 -0.57 0.00 -0.00 -0.50 0.18 114.38 114.09 2dms h ARG 63 Ca 0.31 -0.04 0.05 0.00 -0.50 0.00 0.00 59.98 59.80 2dms h ARG 63 Cb 0.57 -0.15 -0.03 0.00 0.00 0.00 0.00 29.97 30.36 2dms h ARG 63 CO -0.78 0.44 0.38 0.37 0.00 0.00 0.00 179.97 180.37 2dms h GLN 64 N 0.68 0.55 -6.15 0.04 4.15 -0.36 -3.46 115.11 110.57 2dms h GLN 64 Ca 0.53 -0.03 -0.44 0.00 0.77 0.00 0.00 58.65 59.47 2dms h GLN 64 Cb 0.79 -0.12 0.02 0.00 0.21 0.00 0.00 27.48 28.38 2dms h GLN 64 CO -0.38 0.36 -0.77 1.04 -1.93 0.00 0.00 178.83 177.15 2dms n GLN 65 N -4.47 -5.78 -3.49 1.69 6.02 0.64 -4.96 117.38 107.02 2dms n GLN 65 Ca 0.08 0.65 -0.37 0.00 -0.01 0.00 0.00 57.00 57.35 2dms n GLN 65 Cb 0.21 -5.48 -0.06 0.00 1.02 0.00 0.00 30.24 25.94 2dms n GLN 65 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2dms s GLN 66 N -6.34 3.90 -1.00 -1.09 2.00 -1.26 -4.93 119.66 110.94 2dms s GLN 66 Ca 0.44 0.38 -0.18 0.00 -2.00 0.00 0.00 55.36 53.99 2dms s GLN 66 Cb -0.21 -3.13 -0.29 0.00 0.80 0.00 0.00 33.01 30.18 2dms s GLN 66 CO 0.81 0.63 2.39 1.04 -0.50 0.00 0.00 175.29 179.65 2dms n GLN 67 N 1.45 0.00 0.04 1.67 6.02 -1.26 -4.75 117.38 120.55 2dms n GLN 67 Ca -0.11 -0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.85 2dms n GLN 67 Cb 0.52 -1.22 -0.01 0.00 1.02 0.00 0.00 30.24 30.54 2dms n GLN 67 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 2dms h GLN 68 N 11.45 -0.20 -4.50 -1.09 4.20 -2.01 -3.46 115.11 119.50 2dms h GLN 68 Ca 0.00 0.01 -0.52 0.00 0.06 0.00 0.00 58.65 58.20 2dms h GLN 68 Cb 1.21 0.04 0.07 0.00 0.30 0.00 0.00 27.48 29.10 2dms h GLN 68 CO 1.53 -0.13 -0.30 0.94 -0.67 0.00 0.00 178.83 180.20 2dms n GLN 69 N -4.82 0.00 -3.72 1.46 -0.06 -1.26 -4.96 117.38 104.02 2dms n GLN 69 Ca -0.03 0.00 -0.13 0.00 -2.00 0.00 0.00 57.00 54.85 2dms n GLN 69 Cb 0.08 -0.84 -0.13 0.00 -4.06 0.00 0.00 30.24 25.29 2dms n GLN 69 CO 0.00 0.00 0.00 -0.65 -0.20 0.00 0.00 177.06 176.21 2dms s GLN 70 N -0.58 0.19 0.14 3.69 -0.21 -1.26 -5.13 119.66 116.50 2dms s GLN 70 Ca 0.53 0.56 -0.21 0.00 0.02 0.00 0.00 55.36 56.26 2dms s GLN 70 Cb -0.76 -0.11 -0.12 0.00 1.00 0.00 0.00 33.01 33.02 2dms s GLN 70 CO 0.42 -0.19 0.40 0.09 -2.12 0.00 0.00 175.29 173.89 2dms n ASN 71 N 4.43 -0.85 0.00 5.90 3.02 -1.26 -4.60 115.26 121.91 2dms n ASN 71 Ca -0.22 0.82 0.00 0.00 -0.03 0.00 0.00 54.58 55.15 2dms n ASN 71 Cb 0.52 -0.68 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 2dms n ASN 71 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dms n GLY 72 N 1.42 -0.12 3.87 7.41 0.00 -1.26 -5.15 105.19 111.36 2dms n GLY 72 Ca 0.13 -0.10 0.04 0.00 0.00 0.00 0.00 46.02 46.09 2dms n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dms s GLY 73 N 0.00 -0.31 0.05 -0.02 0.00 -1.26 -5.18 107.32 100.59 2dms s GLY 73 Ca 0.00 0.43 -0.04 0.00 0.00 0.00 0.00 44.72 45.11 2dms s GLY 73 CO 0.00 4.55 0.05 1.62 0.00 0.00 0.00 173.10 179.32 2dms s GLN 74 N -2.02 0.60 0.41 2.90 2.00 -1.26 -5.14 119.66 117.15 2dms s GLN 74 Ca 0.26 -0.93 0.04 0.00 -2.00 0.00 0.00 55.36 52.73 2dms s GLN 74 Cb 0.03 0.22 -0.05 0.00 0.80 0.00 0.00 33.01 34.01 2dms s GLN 74 CO -0.04 -0.14 0.04 -1.54 -0.50 0.00 0.00 175.29 173.11 2dms s SER 75 N -2.43 3.34 0.24 6.67 1.04 -1.26 -5.17 113.70 116.13 2dms s SER 75 Ca -0.01 -1.49 0.04 0.00 0.48 0.00 0.00 55.95 54.97 2dms s SER 75 Cb 0.02 0.05 -0.05 0.00 0.10 0.00 0.00 66.02 66.14 2dms s SER 75 CO -0.07 -0.67 -0.00 -0.83 0.98 0.00 0.00 173.24 172.65 2dms s GLY 76 N -3.67 1.61 0.48 7.32 0.00 -1.26 -5.16 107.32 106.64 2dms s GLY 76 Ca 0.27 -1.79 -0.08 0.00 0.00 0.00 0.00 44.72 43.11 2dms s GLY 76 CO 0.13 -1.68 0.43 -1.55 0.00 0.00 0.00 173.10 170.43 2dms n PRO 77 N -0.45 -1.86 -3.96 2.90 -0.04 -1.26 -5.10 135.00 125.24 2dms n PRO 77 Ca -0.05 -0.69 -0.10 0.00 -0.04 0.00 0.00 63.50 62.62 2dms n PRO 77 Cb 0.64 -0.64 -0.03 0.00 -0.04 0.00 0.00 33.50 33.43 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 -2.67 0.16 0.39 3.54 0.01 -1.26 -5.19 113.70 108.69 2dms s SER 78 Ca 0.28 -1.08 0.04 0.00 1.31 0.00 0.00 55.95 56.50 2dms s SER 78 Cb -0.03 0.69 -0.03 0.00 0.21 0.00 0.00 66.02 66.87 2dms s SER 78 CO 0.21 -1.34 0.15 -0.44 0.41 0.00 0.00 173.24 172.23 2dms s SER 79 N -3.07 2.56 0.00 2.44 0.01 -1.26 -5.38 113.70 109.00 2dms s SER 79 Ca 0.21 -1.67 0.00 0.00 1.31 0.00 0.00 55.95 55.80 2dms s SER 79 Cb -0.02 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.70 2dms s SER 79 CO 0.12 -0.94 0.00 0.61 0.41 0.00 0.00 173.24 173.44