#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 2.73 0.01 1.61 0.01 -1.26 -5.16 113.70 111.64 2dms s SER 2 Ca 0.00 -1.23 -0.20 0.00 1.31 0.00 0.00 55.95 55.84 2dms s SER 2 Cb 0.00 -0.16 0.04 0.00 0.21 0.00 0.00 66.02 66.11 2dms s SER 2 CO 0.00 -0.39 0.43 -0.44 0.41 0.00 0.00 173.24 173.25 2dms s SER 3 N -3.46 -0.33 -0.57 2.44 0.01 -1.26 -5.06 113.70 105.47 2dms s SER 3 Ca 0.31 0.15 -0.03 0.00 1.31 0.00 0.00 55.95 57.68 2dms s SER 3 Cb 0.05 0.42 0.14 0.00 0.21 0.00 0.00 66.02 66.84 2dms s SER 3 CO 0.13 -0.60 2.56 0.61 0.41 0.00 0.00 173.24 176.35 2dms n GLY 4 N 0.77 4.69 2.98 3.44 0.00 -1.26 -4.89 105.19 110.91 2dms n GLY 4 Ca -0.19 -2.06 -0.21 0.00 0.00 0.00 0.00 46.02 43.56 2dms n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dms s SER 5 N -0.05 1.21 -0.39 1.61 0.15 -1.26 -5.08 113.70 109.89 2dms s SER 5 Ca 0.57 -0.19 -0.31 0.00 0.70 0.00 0.00 55.95 56.72 2dms s SER 5 Cb 0.40 -0.42 -0.10 0.00 -1.71 0.00 0.00 66.02 64.19 2dms s SER 5 CO -0.28 0.03 2.28 -1.20 1.20 0.00 0.00 173.24 175.28 2dms n SER 6 N 3.54 2.34 0.00 5.45 7.64 -1.26 -4.60 113.62 126.73 2dms n SER 6 Ca -0.21 0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.83 2dms n SER 6 Cb 0.53 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.35 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 6.24 0.96 3.28 0.23 0.00 -1.26 -5.03 105.19 109.61 2dms n GLY 7 Ca 0.39 -2.07 -0.30 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.53 2.09 0.22 1.61 6.06 -1.26 -5.01 118.95 121.12 2dms s ARG 8 Ca 0.00 -0.88 -0.13 0.00 -2.50 0.00 0.00 55.73 52.22 2dms s ARG 8 Cb 0.00 -1.96 0.27 0.00 0.06 0.00 0.00 34.95 33.32 2dms s ARG 8 CO 0.00 0.50 1.37 -2.13 -2.50 0.00 0.00 175.30 172.54 2dms n ARG 9 N 2.57 -0.17 -4.26 5.12 0.63 -1.26 -4.46 116.66 114.84 2dms n ARG 9 Ca -0.16 1.37 -0.23 0.00 -0.92 0.00 0.00 57.85 57.90 2dms n ARG 9 Cb 0.52 -2.03 -0.07 0.00 0.45 0.00 0.00 32.46 31.32 2dms n ARG 9 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2dms s GLU 10 N -5.91 2.31 0.06 -0.14 2.02 -1.26 -5.15 118.70 110.63 2dms s GLU 10 Ca -0.12 -1.46 -0.18 0.00 0.02 0.00 0.00 54.97 53.22 2dms s GLU 10 Cb 0.20 -2.15 0.04 0.00 0.10 0.00 0.00 34.13 32.31 2dms s GLU 10 CO 0.65 0.30 0.43 -0.98 0.02 0.00 0.00 175.26 175.67 2dms s ARG 11 N -3.71 0.97 0.53 1.61 3.03 -1.26 -5.17 118.95 114.94 2dms s ARG 11 Ca 0.33 -0.42 -0.04 0.00 2.03 0.00 0.00 55.73 57.63 2dms s ARG 11 Cb -0.05 0.43 -0.01 0.00 -1.03 0.00 0.00 34.95 34.29 2dms s ARG 11 CO 0.20 -0.35 0.82 -0.08 -1.13 0.00 0.00 175.30 174.77 2dms s THR 12 N -2.75 4.12 -0.23 4.99 -1.32 -1.26 -4.97 115.64 114.22 2dms s THR 12 Ca -0.04 -0.04 0.01 0.00 -1.21 0.00 0.00 61.69 60.41 2dms s THR 12 Cb -0.00 -3.59 0.27 0.00 -1.51 0.00 0.00 72.50 67.67 2dms s THR 12 CO -0.04 -0.56 1.59 0.41 -2.21 0.00 0.00 174.62 173.81 2dms n THR 13 N -2.38 2.21 -3.69 5.08 -1.04 -1.26 -4.85 114.28 108.35 2dms n THR 13 Ca 0.03 -1.07 -0.37 0.00 -2.04 0.00 0.00 64.05 60.59 2dms n THR 13 Cb 0.57 -0.94 -0.12 0.00 -1.82 0.00 0.00 70.33 68.02 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 -1.54 3.14 0.25 -1.42 0.08 -1.26 -5.09 117.98 112.14 2dms s PHE 14 Ca 0.26 -0.32 -0.12 0.00 0.12 0.00 0.00 56.93 56.88 2dms s PHE 14 Cb 0.22 -2.30 -0.08 0.00 -0.57 0.00 0.00 43.02 40.29 2dms s PHE 14 CO 0.03 -0.33 0.61 0.95 -0.10 0.00 0.00 175.22 176.38 2dms s THR 15 N 1.65 4.84 0.27 0.64 -4.23 -1.26 -4.88 115.64 112.67 2dms s THR 15 Ca 0.06 0.65 0.01 0.00 -1.18 0.00 0.00 61.69 61.23 2dms s THR 15 Cb -0.16 -3.62 0.26 0.00 1.34 0.00 0.00 72.50 70.32 2dms s THR 15 CO 0.06 -0.09 1.72 -0.09 -0.54 0.00 0.00 174.62 175.68 2dms h ARG 16 N 2.52 0.45 -0.68 3.99 9.65 -1.99 0.20 114.38 128.52 2dms h ARG 16 Ca -0.47 -0.03 0.01 0.00 -1.10 0.00 0.00 59.98 58.39 2dms h ARG 16 Cb 1.17 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 29.62 2dms h ARG 16 CO 0.68 0.30 0.45 0.00 2.80 0.00 0.00 179.97 184.19 2dms h ALA 17 N 1.64 0.86 0.32 2.80 0.00 -2.01 -1.90 119.26 120.98 2dms h ALA 17 Ca 0.50 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.35 2dms h ALA 17 Cb 0.86 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2dms h ALA 17 CO -0.46 0.28 -0.16 1.96 0.00 0.00 0.00 179.25 180.87 2dms h GLN 18 N 0.91 -0.42 -0.62 0.00 4.20 -1.25 -3.25 115.11 114.68 2dms h GLN 18 Ca 0.25 0.03 0.10 0.00 0.06 0.00 0.00 58.65 59.08 2dms h GLN 18 Cb -0.09 0.09 -0.11 0.00 0.30 0.00 0.00 27.48 27.67 2dms h GLN 18 CO -0.06 -0.09 -0.42 -0.07 -0.67 0.00 0.00 178.83 177.53 2dms h LEU 19 N -0.90 -1.45 -0.97 1.46 3.38 -0.68 0.81 115.31 116.96 2dms h LEU 19 Ca -0.04 0.25 0.22 0.00 0.09 0.00 0.00 57.88 58.39 2dms h LEU 19 Cb 0.52 0.67 -0.18 0.00 0.09 0.00 0.00 40.66 41.76 2dms h LEU 19 CO 0.07 -0.32 -0.16 -0.78 0.09 0.00 0.00 178.44 177.34 2dms h ASP 20 N -0.19 -0.77 0.23 -0.43 3.58 -1.42 0.25 116.42 117.66 2dms h ASP 20 Ca 0.20 0.29 -0.01 0.00 0.42 0.00 0.00 57.03 57.92 2dms h ASP 20 Cb 0.56 0.56 0.00 0.00 1.72 0.00 0.00 39.33 42.18 2dms h ASP 20 CO -0.71 -0.33 -0.11 0.58 -2.88 0.00 0.00 179.24 175.79 2dms h VAL 21 N 0.00 0.83 -0.43 2.25 2.07 -0.92 0.80 116.25 120.85 2dms h VAL 21 Ca 0.50 -0.41 0.09 0.00 0.82 0.00 0.00 66.70 67.70 2dms h VAL 21 Cb 0.86 1.07 -0.08 0.00 -1.52 0.00 0.00 31.29 31.61 2dms h VAL 21 CO -0.97 0.09 -0.13 -0.07 0.02 0.00 0.00 177.57 176.51 2dms h LEU 22 N -0.52 -0.46 -0.13 2.57 3.38 0.26 -1.23 115.31 119.18 2dms h LEU 22 Ca -0.03 0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2dms h LEU 22 Cb 0.39 0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2dms h LEU 22 CO 0.05 -0.16 0.03 -0.33 0.09 0.00 0.00 178.44 178.12 2dms h GLU 23 N -0.03 0.20 -1.03 1.13 5.08 -0.61 -2.65 114.58 116.68 2dms h GLU 23 Ca 0.21 -0.05 0.27 0.00 -1.00 0.00 0.00 59.36 58.79 2dms h GLU 23 Cb 0.35 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.50 2dms h GLU 23 CO -0.46 0.36 0.69 0.00 -1.00 0.00 0.00 179.01 178.60 2dms h ALA 24 N 0.83 2.48 0.00 3.43 0.00 -0.14 0.65 119.26 126.51 2dms h ALA 24 Ca 0.04 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 2dms h ALA 24 Cb 0.25 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2dms h ALA 24 CO 0.00 -0.83 -0.69 1.25 0.00 0.00 0.00 179.25 178.98 2dms h LEU 25 N 0.27 0.00 -0.30 0.00 5.85 -0.94 -3.04 115.31 117.14 2dms h LEU 25 Ca 0.55 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 59.15 2dms h LEU 25 Cb 1.62 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.64 2dms h LEU 25 CO -0.18 0.69 -0.53 0.15 -0.34 0.00 0.00 178.44 178.22 2dms h PHE 26 N 0.00 0.00 0.00 1.25 3.04 0.56 0.65 116.94 122.43 2dms h PHE 26 Ca -0.01 0.00 -0.13 0.00 3.98 0.00 0.00 57.97 61.82 2dms h PHE 26 Cb 1.38 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.87 2dms h PHE 26 CO 0.00 0.53 -0.60 0.00 -2.02 0.00 0.00 178.31 176.22 2dms h ALA 27 N 1.47 0.66 0.05 2.41 0.00 -1.05 -3.32 119.26 119.47 2dms h ALA 27 Ca -0.01 -0.55 -0.37 0.00 0.00 0.00 0.00 54.91 53.99 2dms h ALA 27 Cb 1.29 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 2dms h ALA 27 CO 0.07 0.75 -2.10 0.36 0.00 0.00 0.00 179.25 178.33 2dms n LYS 28 N -3.32 0.67 -3.57 0.00 2.85 -1.16 -4.90 118.16 108.72 2dms n LYS 28 Ca 0.01 0.28 -0.22 0.00 -1.05 0.00 0.00 58.31 57.33 2dms n LYS 28 Cb 0.74 -1.63 -0.15 0.00 -0.65 0.00 0.00 35.03 33.34 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 -0.20 0.33 0.58 -1.32 0.21 -5.01 115.64 107.73 2dms s THR 29 Ca -0.29 -0.06 0.05 0.00 -1.21 0.00 0.00 61.69 60.17 2dms s THR 29 Cb 0.08 -0.56 0.14 0.00 -1.51 0.00 0.00 72.50 70.65 2dms s THR 29 CO 0.65 -0.18 1.85 0.03 -2.21 0.00 0.00 174.62 174.76 2dms h ARG 30 N 8.37 0.48 -2.96 7.08 3.08 -1.75 -3.34 114.38 125.35 2dms h ARG 30 Ca -0.15 -0.12 -0.61 0.00 0.07 0.00 0.00 59.98 59.17 2dms h ARG 30 Cb 1.15 -0.06 -0.41 0.00 0.08 0.00 0.00 29.97 30.72 2dms h ARG 30 CO 0.26 0.55 -0.65 0.71 -1.07 0.00 0.00 179.97 179.78 2dms s TYR 31 N -4.85 3.08 0.50 3.04 1.51 -1.26 -4.97 117.35 114.40 2dms s TYR 31 Ca -0.07 -3.14 -0.21 0.00 -1.01 0.00 0.00 57.07 52.64 2dms s TYR 31 Cb 0.15 -2.37 -0.07 0.00 -0.11 0.00 0.00 41.96 39.57 2dms s TYR 31 CO 0.76 -0.60 1.15 -1.25 -1.11 0.00 0.00 175.55 174.50 2dms s PRO 32 N -1.13 3.58 0.91 -1.71 0.04 -1.25 -5.04 135.00 130.39 2dms s PRO 32 Ca 0.26 1.70 -0.14 0.00 0.04 0.00 0.00 61.00 62.87 2dms s PRO 32 Cb -0.04 -2.23 0.14 0.00 0.04 0.00 0.00 34.50 32.42 2dms s PRO 32 CO -0.17 -0.69 1.19 0.34 0.04 0.00 0.00 177.00 177.72 2dms s ASP 33 N -1.54 3.60 0.55 6.66 2.15 -1.26 -4.79 116.67 122.03 2dms s ASP 33 Ca 0.68 0.71 0.22 0.00 0.43 0.00 0.00 52.55 54.59 2dms s ASP 33 Cb -0.26 -1.11 1.46 0.00 -0.30 0.00 0.00 42.92 42.71 2dms s ASP 33 CO 0.31 -2.47 2.13 -0.29 -0.17 0.00 0.00 175.17 174.69 2dms h ILE 34 N -1.45 0.78 -0.07 4.11 6.09 -1.99 -2.06 117.51 122.92 2dms h ILE 34 Ca -0.47 0.00 -0.02 0.00 -1.37 0.00 0.00 64.86 63.00 2dms h ILE 34 Cb 1.31 0.93 -0.00 0.00 0.47 0.00 0.00 36.82 39.52 2dms h ILE 34 CO 0.56 0.00 -0.05 -0.26 -3.07 0.00 0.00 178.15 175.33 2dms h PHE 35 N 0.00 0.18 0.54 2.19 0.04 -1.99 -2.09 116.94 115.81 2dms h PHE 35 Ca 0.06 -0.05 -0.03 0.00 2.80 0.00 0.00 57.97 60.75 2dms h PHE 35 Cb 0.26 -0.04 0.01 0.00 2.20 0.00 0.00 35.95 38.37 2dms h PHE 35 CO 0.00 0.56 -0.26 0.52 -0.60 0.00 0.00 178.31 178.53 2dms h MET 36 N -0.25 -0.70 -0.87 1.51 2.86 -1.75 -2.15 114.93 113.59 2dms h MET 36 Ca 0.01 0.05 0.14 0.00 -2.06 0.00 0.00 59.70 57.84 2dms h MET 36 Cb 0.52 0.16 -0.09 0.00 0.06 0.00 0.00 31.60 32.25 2dms h MET 36 CO 0.01 -0.45 0.47 0.00 1.06 0.00 0.00 176.91 177.99 2dms h ARG 37 N -0.75 0.65 -0.03 1.72 3.08 -1.48 -1.62 114.38 115.94 2dms h ARG 37 Ca -0.07 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 59.95 2dms h ARG 37 Cb 0.57 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 2dms h ARG 37 CO 0.12 0.43 -0.07 0.93 -1.07 0.00 0.00 179.97 180.32 2dms h GLU 38 N 0.67 -0.10 0.29 0.04 5.08 -1.14 -0.23 114.58 119.19 2dms h GLU 38 Ca 0.47 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.83 2dms h GLU 38 Cb 0.63 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 2dms h GLU 38 CO -0.35 -0.07 -0.41 0.93 -1.00 0.00 0.00 179.01 178.12 2dms h GLU 39 N -0.11 -0.70 0.07 2.33 4.39 -0.65 -1.22 114.58 118.70 2dms h GLU 39 Ca 0.04 0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.80 2dms h GLU 39 Cb 0.16 0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 28.92 2dms h GLU 39 CO -0.10 -0.47 -0.46 0.28 -1.16 0.00 0.00 179.01 177.11 2dms h VAL 40 N -0.73 0.00 -1.48 3.13 2.07 -1.37 0.46 116.25 118.34 2dms h VAL 40 Ca -0.03 0.00 0.43 0.00 0.82 0.00 0.00 66.70 67.92 2dms h VAL 40 Cb 0.66 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.37 2dms h VAL 40 CO -0.12 0.00 1.05 0.00 0.02 0.00 0.00 177.57 178.53 2dms h ALA 41 N -0.65 3.35 0.00 1.67 0.00 -0.97 1.52 119.26 124.18 2dms h ALA 41 Ca -0.00 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 2dms h ALA 41 Cb 0.64 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2dms h ALA 41 CO -0.27 -1.79 -1.27 -0.07 0.00 0.00 0.00 179.25 175.86 2dms h LEU 42 N 0.02 0.00 0.00 0.00 3.38 0.31 0.31 115.31 119.32 2dms h LEU 42 Ca 0.72 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.69 2dms h LEU 42 Cb 2.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.56 2dms h LEU 42 CO -0.04 0.63 -0.04 0.50 0.09 0.00 0.00 178.44 179.57 2dms h LYS 43 N 0.00 0.00 0.00 1.13 3.64 0.65 -3.32 116.57 118.67 2dms h LYS 43 Ca -0.14 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 2dms h LYS 43 Cb 1.60 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.42 2dms h LYS 43 CO 0.06 0.00 0.00 0.44 -2.27 0.00 0.00 179.45 177.68 2dms n ILE 44 N -4.06 1.27 -2.76 2.00 -5.35 0.10 -4.83 119.36 105.73 2dms n ILE 44 Ca -0.01 0.32 -0.10 0.00 -0.27 0.00 0.00 62.75 62.70 2dms n ILE 44 Cb 0.02 -1.25 0.05 0.00 -1.74 0.00 0.00 39.64 36.72 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 -1.37 -2.46 -4.11 7.28 4.13 -1.20 -4.86 115.26 112.67 2dms n ASN 45 Ca 0.02 -0.36 -0.10 0.00 1.68 0.00 0.00 54.58 55.81 2dms n ASN 45 Cb 0.04 -3.15 -0.10 0.00 -1.54 0.00 0.00 39.78 35.02 2dms n ASN 45 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2dms s LEU 46 N -4.47 2.42 0.06 3.41 1.43 0.11 -5.02 118.68 116.62 2dms s LEU 46 Ca 0.04 -0.84 -0.31 0.00 -1.03 0.00 0.00 54.13 51.99 2dms s LEU 46 Cb -0.01 -0.03 -0.07 0.00 0.03 0.00 0.00 46.19 46.12 2dms s LEU 46 CO 0.42 -0.41 1.40 -2.16 0.23 0.00 0.00 176.35 175.82 2dms s PRO 47 N -3.07 4.31 0.55 1.29 0.04 -1.26 -4.19 135.00 132.67 2dms s PRO 47 Ca 0.03 2.03 0.39 0.00 0.04 0.00 0.00 61.00 63.48 2dms s PRO 47 Cb 0.01 -3.40 1.33 0.00 0.04 0.00 0.00 34.50 32.47 2dms s PRO 47 CO -0.04 -0.50 1.38 -1.91 0.04 0.00 0.00 177.00 175.97 2dms n GLU 48 N 4.60 0.01 0.28 4.56 2.13 -1.26 0.29 120.64 131.23 2dms n GLU 48 Ca 0.12 1.00 -0.13 0.00 0.66 0.00 0.00 57.16 58.81 2dms n GLU 48 Cb 0.43 -2.39 -0.07 0.00 0.27 0.00 0.00 31.44 29.68 2dms n GLU 48 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 2dms h SER 49 N 0.00 -0.62 -1.11 4.31 0.02 -1.97 -2.03 113.55 112.14 2dms h SER 49 Ca 0.72 -0.04 0.32 0.00 -0.84 0.00 0.00 61.79 61.95 2dms h SER 49 Cb 3.27 0.16 -0.06 0.00 0.14 0.00 0.00 62.40 65.92 2dms h SER 49 CO -0.01 -0.24 0.78 0.03 -1.14 0.00 0.00 176.83 176.26 2dms h ARG 50 N -1.09 0.08 0.05 3.45 2.47 -0.53 0.98 114.38 119.78 2dms h ARG 50 Ca -0.08 -0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.64 2dms h ARG 50 Cb 0.62 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.92 2dms h ARG 50 CO 0.12 0.05 -0.02 0.28 0.56 0.00 0.00 179.97 180.97 2dms h VAL 51 N 0.08 1.33 -0.62 2.04 2.07 -1.39 -0.83 116.25 118.93 2dms h VAL 51 Ca 0.55 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 66.65 2dms h VAL 51 Cb 2.02 2.24 -0.03 0.00 -1.52 0.00 0.00 31.29 34.00 2dms h VAL 51 CO -0.07 0.35 0.39 -0.61 0.02 0.00 0.00 177.57 177.65 2dms h GLN 52 N -0.71 0.82 0.15 1.57 -0.00 -0.28 -3.01 115.11 113.65 2dms h GLN 52 Ca -0.01 -0.06 -0.01 0.00 -0.00 0.00 0.00 58.65 58.58 2dms h GLN 52 Cb 0.62 -0.18 0.00 0.00 0.00 0.00 0.00 27.48 27.92 2dms h GLN 52 CO 0.01 0.56 -0.07 0.28 0.00 0.00 0.00 178.83 179.61 2dms h VAL 53 N 0.84 0.92 -0.87 2.39 2.07 -0.94 -3.15 116.25 117.52 2dms h VAL 53 Ca 0.22 -1.14 0.25 0.00 0.82 0.00 0.00 66.70 66.85 2dms h VAL 53 Cb -0.06 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 2dms h VAL 53 CO -0.05 0.23 1.12 -0.25 0.02 0.00 0.00 177.57 178.64 2dms h TRP 54 N -0.83 0.00 0.01 1.57 7.01 -1.02 0.67 115.95 123.37 2dms h TRP 54 Ca -0.02 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 60.98 2dms h TRP 54 Cb 0.54 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.60 2dms h TRP 54 CO 0.09 0.00 -0.01 0.74 -2.79 0.00 0.00 178.44 176.47 2dms h PHE 55 N 0.00 -0.02 0.00 2.65 -1.00 -1.50 -2.75 116.94 114.33 2dms h PHE 55 Ca 0.41 -0.00 -0.00 0.00 2.81 0.00 0.00 57.97 61.19 2dms h PHE 55 Cb 2.64 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 42.20 2dms h PHE 55 CO 0.00 0.78 -0.00 1.57 -1.61 0.00 0.00 178.31 179.05 2dms h LYS 56 N -0.88 0.00 0.00 1.51 2.10 0.29 -0.79 116.57 118.81 2dms h LYS 56 Ca -0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2dms h LYS 56 Cb 0.80 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.13 2dms h LYS 56 CO 0.00 0.00 -0.00 -0.91 -2.00 0.00 0.00 179.45 176.54 2dms h ASN 57 N 0.00 -0.01 0.32 7.07 2.35 -1.37 -3.20 115.58 120.74 2dms h ASN 57 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2dms h ASN 57 Cb 0.02 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.36 2dms h ASN 57 CO 0.00 0.20 -0.43 -0.09 -1.65 0.00 0.00 177.43 175.46 2dms h ARG 58 N -0.42 -0.77 -0.80 0.81 9.65 -1.41 -2.94 114.38 118.50 2dms h ARG 58 Ca -0.00 0.05 0.07 0.00 -1.10 0.00 0.00 59.98 59.01 2dms h ARG 58 Cb 0.00 0.17 -0.10 0.00 -1.39 0.00 0.00 29.97 28.65 2dms h ARG 58 CO 0.00 -0.51 -0.55 -0.09 2.80 0.00 0.00 179.97 181.62 2dms h ARG 59 N -0.80 -0.09 -0.95 0.20 2.43 -1.35 0.26 114.38 114.09 2dms h ARG 59 Ca -0.02 0.01 0.27 0.00 -0.81 0.00 0.00 59.98 59.43 2dms h ARG 59 Cb 0.74 0.02 -0.18 0.00 -0.42 0.00 0.00 29.97 30.14 2dms h ARG 59 CO -0.13 -0.06 0.05 0.00 -1.51 0.00 0.00 179.97 178.31 2dms n ALA 60 N -3.19 0.51 -0.06 2.80 0.00 -1.12 0.81 120.51 120.25 2dms n ALA 60 Ca 0.01 1.02 -0.08 0.00 0.00 0.00 0.00 53.44 54.38 2dms n ALA 60 Cb 0.27 -0.76 -0.01 0.00 0.00 0.00 0.00 19.45 18.95 2dms n ALA 60 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2dms h LYS 61 N 0.00 0.15 -0.98 0.00 3.64 -0.38 -2.25 116.57 116.75 2dms h LYS 61 Ca 0.59 -0.01 0.33 0.00 -1.27 0.00 0.00 60.65 60.29 2dms h LYS 61 Cb 1.24 -0.03 -0.17 0.00 -0.41 0.00 0.00 32.23 32.85 2dms h LYS 61 CO -0.88 0.10 0.33 0.00 -2.27 0.00 0.00 179.45 176.73 2dms h ARG 63 N 0.08 0.15 -0.06 0.00 2.43 -1.32 -0.28 114.38 115.37 2dms h ARG 63 Ca 0.71 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.89 2dms h ARG 63 Cb 1.68 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 31.17 2dms h ARG 63 CO -0.78 0.10 -0.08 0.37 -1.51 0.00 0.00 179.97 178.07 2dms h GLN 64 N 0.15 -0.10 -6.61 0.20 4.15 -0.16 -3.44 115.11 109.30 2dms h GLN 64 Ca 0.44 0.01 -0.55 0.00 0.77 0.00 0.00 58.65 59.31 2dms h GLN 64 Cb 0.79 0.02 0.20 0.00 0.21 0.00 0.00 27.48 28.70 2dms h GLN 64 CO -0.63 -0.07 -0.60 1.04 -1.93 0.00 0.00 178.83 176.64 2dms n GLN 65 N -5.21 0.09 -1.77 1.69 1.13 -0.12 -4.86 117.38 108.34 2dms n GLN 65 Ca -0.05 0.07 -0.41 0.00 -1.94 0.00 0.00 57.00 54.67 2dms n GLN 65 Cb 0.13 -1.73 -0.00 0.00 0.11 0.00 0.00 30.24 28.75 2dms n GLN 65 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2dms n GLN 66 N -0.66 2.65 -2.51 -1.09 10.64 -1.26 -5.01 117.38 120.14 2dms n GLN 66 Ca 0.08 0.93 -0.24 0.00 -1.83 0.00 0.00 57.00 55.94 2dms n GLN 66 Cb 0.51 -2.66 0.09 0.00 -0.86 0.00 0.00 30.24 27.33 2dms n GLN 66 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 2dms s GLN 67 N -2.03 1.87 -0.04 2.61 1.11 -1.26 -5.08 119.66 116.84 2dms s GLN 67 Ca 0.54 -0.90 0.00 0.00 0.01 0.00 0.00 55.36 55.01 2dms s GLN 67 Cb -0.48 -2.32 0.03 0.00 -1.01 0.00 0.00 33.01 29.23 2dms s GLN 67 CO 0.63 -1.32 -0.01 -1.14 0.01 0.00 0.00 175.29 173.46 2dms s GLN 68 N -5.12 0.46 -0.57 2.91 2.00 -1.26 -5.08 119.66 113.01 2dms s GLN 68 Ca 0.64 0.05 -0.30 0.00 -2.00 0.00 0.00 55.36 53.74 2dms s GLN 68 Cb -0.07 -0.64 -0.12 0.00 0.80 0.00 0.00 33.01 32.98 2dms s GLN 68 CO 0.44 -0.15 2.41 0.94 -0.50 0.00 0.00 175.29 178.43 2dms n GLN 69 N 4.30 0.82 -4.51 1.67 -0.06 -1.26 -4.91 117.38 113.42 2dms n GLN 69 Ca -0.22 0.11 -0.33 0.00 -2.00 0.00 0.00 57.00 54.55 2dms n GLN 69 Cb 0.50 -2.63 -0.14 0.00 -4.06 0.00 0.00 30.24 23.91 2dms n GLN 69 CO 0.00 0.00 0.00 1.14 -0.20 0.00 0.00 177.06 178.00 2dms s GLN 70 N 7.74 3.34 -0.09 3.69 -2.07 -1.26 -5.02 119.66 125.99 2dms s GLN 70 Ca 1.12 -0.69 -0.28 0.00 -1.82 0.00 0.00 55.36 53.69 2dms s GLN 70 Cb -0.68 -2.71 -0.24 0.00 -1.09 0.00 0.00 33.01 28.30 2dms s GLN 70 CO 0.40 0.07 0.96 -2.95 -1.32 0.00 0.00 175.29 172.45 2dms h ASN 71 N 7.16 -0.00 -1.28 12.60 7.08 -2.09 -3.46 115.58 135.58 2dms h ASN 71 Ca -0.31 -0.79 -0.48 0.00 -3.08 0.00 0.00 56.30 51.64 2dms h ASN 71 Cb 1.19 0.00 0.12 0.00 -2.08 0.00 0.00 38.32 37.56 2dms h ASN 71 CO 0.57 0.79 -0.72 0.61 -2.08 0.00 0.00 177.43 176.60 2dms n GLY 72 N 1.06 -2.09 0.00 9.14 0.00 -1.26 -4.87 105.19 107.17 2dms n GLY 72 Ca -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 1.79 3.83 3.51 -0.02 0.00 -1.26 -5.17 105.19 107.87 2dms n GLY 73 Ca 0.09 -1.53 -0.11 0.00 0.00 0.00 0.00 46.02 44.47 2dms n GLY 73 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dms s GLN 74 N -4.26 0.87 -0.28 1.61 0.74 -1.26 -5.18 119.66 111.90 2dms s GLN 74 Ca 0.00 -0.16 -0.22 0.00 0.05 0.00 0.00 55.36 55.03 2dms s GLN 74 Cb 0.00 0.40 0.11 0.00 1.10 0.00 0.00 33.01 34.62 2dms s GLN 74 CO 0.00 -0.35 0.88 -1.54 -0.55 0.00 0.00 175.29 173.74 2dms s SER 75 N -2.06 -0.62 -0.41 6.67 1.04 -1.26 -5.12 113.70 111.94 2dms s SER 75 Ca 0.01 1.12 -0.00 0.00 0.48 0.00 0.00 55.95 57.56 2dms s SER 75 Cb -0.01 1.18 0.20 0.00 0.10 0.00 0.00 66.02 67.48 2dms s SER 75 CO -0.05 -0.19 0.89 -0.83 0.98 0.00 0.00 173.24 174.04 2dms s GLY 76 N 0.70 -1.53 0.49 7.32 0.00 -1.26 -5.16 107.32 107.88 2dms s GLY 76 Ca -0.02 0.31 -0.21 0.00 0.00 0.00 0.00 44.72 44.79 2dms s GLY 76 CO -0.08 3.99 1.15 2.56 0.00 0.00 0.00 173.10 180.72 2dms s PRO 77 N 1.26 3.59 0.38 2.90 0.04 -1.26 -5.02 135.00 136.88 2dms s PRO 77 Ca 0.23 1.71 -0.20 0.00 0.04 0.00 0.00 61.00 62.78 2dms s PRO 77 Cb 0.04 -2.24 -0.10 0.00 0.04 0.00 0.00 34.50 32.24 2dms s PRO 77 CO -0.09 -0.68 0.88 0.45 0.04 0.00 0.00 177.00 177.61 2dms s SER 78 N -1.53 6.94 -0.18 6.66 0.15 -1.26 -5.07 113.70 119.42 2dms s SER 78 Ca 0.67 1.58 -0.30 0.00 0.70 0.00 0.00 55.95 58.61 2dms s SER 78 Cb -0.27 -2.49 0.13 0.00 -1.71 0.00 0.00 66.02 61.68 2dms s SER 78 CO 0.31 -0.27 1.01 -0.55 1.20 0.00 0.00 173.24 174.95 2dms s SER 79 N -2.12 -0.37 0.00 5.45 0.15 -1.26 -5.37 113.70 110.18 2dms s SER 79 Ca 0.58 0.44 0.00 0.00 0.70 0.00 0.00 55.95 57.66 2dms s SER 79 Cb -0.11 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 2dms s SER 79 CO 0.16 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.89