#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 4.78 -0.08 1.61 0.01 -1.26 -5.01 113.70 113.75 2dms s SER 2 Ca 0.00 1.27 -0.19 0.00 1.31 0.00 0.00 55.95 58.34 2dms s SER 2 Cb 0.00 -2.02 -0.15 0.00 0.21 0.00 0.00 66.02 64.06 2dms s SER 2 CO 0.00 -1.78 0.70 -1.28 0.41 0.00 0.00 173.24 171.29 2dms h SER 3 N -0.96 -0.12 -3.25 2.44 0.87 -2.11 -3.48 113.55 106.95 2dms h SER 3 Ca -0.46 -0.42 0.00 0.00 -1.23 0.00 0.00 61.79 59.68 2dms h SER 3 Cb 1.26 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 2dms h SER 3 CO 0.60 0.51 0.00 0.61 -0.53 0.00 0.00 176.83 178.03 2dms n GLY 4 N 1.00 3.58 3.46 5.77 0.00 -1.26 -5.17 105.19 112.57 2dms n GLY 4 Ca -0.07 -2.18 -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 -1.35 0.00 0.00 0.00 173.32 171.97 2dms s SER 5 N -0.96 -0.55 0.62 1.61 1.04 -1.26 -5.15 113.70 109.04 2dms s SER 5 Ca 0.00 0.60 -0.18 0.00 0.48 0.00 0.00 55.95 56.85 2dms s SER 5 Cb 0.00 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.59 2dms s SER 5 CO 0.00 -0.56 0.93 -1.54 0.98 0.00 0.00 173.24 173.05 2dms n SER 6 N 1.06 0.59 -2.41 7.02 3.41 -1.26 -4.38 113.62 117.66 2dms n SER 6 Ca -0.19 0.78 -0.01 0.00 -0.26 0.00 0.00 58.87 59.18 2dms n SER 6 Cb 0.57 -1.38 -0.01 0.00 -0.26 0.00 0.00 64.21 63.13 2dms n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dms n GLY 7 N 1.32 -4.21 3.56 5.00 0.00 -1.26 -5.09 105.19 104.50 2dms n GLY 7 Ca 0.14 0.60 -0.14 0.00 0.00 0.00 0.00 46.02 46.61 2dms n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2dms s ARG 8 N -1.11 0.81 -0.10 1.61 1.04 -1.26 -5.10 118.95 114.84 2dms s ARG 8 Ca -0.07 0.26 -0.09 0.00 -1.04 0.00 0.00 55.73 54.80 2dms s ARG 8 Cb 0.00 0.38 -0.03 0.00 -2.04 0.00 0.00 34.95 33.27 2dms s ARG 8 CO 0.61 -0.24 -0.17 0.54 -0.04 0.00 0.00 175.30 176.00 2dms n ARG 9 N 0.98 0.30 -4.23 3.89 1.74 -1.26 -5.07 116.66 113.02 2dms n ARG 9 Ca -0.14 0.24 -0.13 0.00 -0.77 0.00 0.00 57.85 57.04 2dms n ARG 9 Cb 0.57 -1.16 -0.10 0.00 -1.02 0.00 0.00 32.46 30.75 2dms n ARG 9 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2dms s GLU 10 N -2.00 1.18 -0.10 5.56 2.56 -1.26 -5.16 118.70 119.49 2dms s GLU 10 Ca -0.14 -1.61 0.03 0.00 0.00 0.00 0.00 54.97 53.25 2dms s GLU 10 Cb 0.02 0.02 0.01 0.00 2.00 0.00 0.00 34.13 36.18 2dms s GLU 10 CO 0.21 -0.29 -0.19 -0.98 -0.56 0.00 0.00 175.26 173.45 2dms s ARG 11 N -4.06 2.55 -0.56 4.30 1.70 -1.26 -5.09 118.95 116.54 2dms s ARG 11 Ca 0.33 -0.70 -0.26 0.00 -0.47 0.00 0.00 55.73 54.63 2dms s ARG 11 Cb 0.07 -2.03 0.04 0.00 -0.57 0.00 0.00 34.95 32.46 2dms s ARG 11 CO 0.09 0.06 1.05 0.95 -1.08 0.00 0.00 175.30 176.37 2dms s THR 12 N 0.65 4.23 -0.12 4.99 -4.23 -1.26 -4.87 115.64 115.03 2dms s THR 12 Ca -0.13 0.60 -0.12 0.00 -1.18 0.00 0.00 61.69 60.86 2dms s THR 12 Cb -0.16 -4.61 -0.26 0.00 1.34 0.00 0.00 72.50 68.80 2dms s THR 12 CO 0.03 -1.19 0.45 0.74 -0.54 0.00 0.00 174.62 174.12 2dms h THR 13 N 6.09 0.83 -3.38 3.99 2.02 -2.08 -3.46 112.91 116.93 2dms h THR 13 Ca -0.25 -2.36 -0.63 0.00 0.77 0.00 0.00 66.41 63.94 2dms h THR 13 Cb 1.07 2.57 -0.33 0.00 -1.74 0.00 0.00 68.15 69.72 2dms h THR 13 CO 1.13 0.76 -0.86 -0.36 0.37 0.00 0.00 175.52 176.56 2dms s PHE 14 N -2.51 2.19 0.16 3.16 0.08 -1.26 -5.10 117.98 114.70 2dms s PHE 14 Ca -0.21 -0.88 -0.07 0.00 0.12 0.00 0.00 56.93 55.89 2dms s PHE 14 Cb 0.06 -1.50 -0.06 0.00 -0.57 0.00 0.00 43.02 40.95 2dms s PHE 14 CO 0.76 -0.37 0.42 -0.08 -0.10 0.00 0.00 175.22 175.85 2dms s THR 15 N 0.44 5.10 0.25 0.64 -1.32 -1.26 -4.80 115.64 114.69 2dms s THR 15 Ca -0.17 0.19 0.08 0.00 -1.21 0.00 0.00 61.69 60.58 2dms s THR 15 Cb -0.17 -3.62 0.29 0.00 -1.51 0.00 0.00 72.50 67.48 2dms s THR 15 CO 0.07 0.04 1.16 -1.14 -2.21 0.00 0.00 174.62 172.54 2dms n ARG 16 N 0.13 -0.05 -0.06 7.08 3.00 -1.26 0.20 116.66 125.71 2dms n ARG 16 Ca -0.02 1.06 -0.11 0.00 -0.00 0.00 0.00 57.85 58.78 2dms n ARG 16 Cb 0.52 -1.78 -0.04 0.00 0.00 0.00 0.00 32.46 31.15 2dms n ARG 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2dms h ALA 17 N 1.47 0.27 -0.34 5.13 0.00 -2.00 -0.27 119.26 123.52 2dms h ALA 17 Ca 0.53 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.29 2dms h ALA 17 Cb 1.27 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2dms h ALA 17 CO -0.63 -0.16 -0.01 1.96 0.00 0.00 0.00 179.25 180.41 2dms h GLN 18 N 0.19 0.60 -0.33 0.00 4.20 0.20 -3.04 115.11 116.94 2dms h GLN 18 Ca 0.07 -0.20 0.01 0.00 0.06 0.00 0.00 58.65 58.59 2dms h GLN 18 Cb 0.15 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 2dms h GLN 18 CO -0.01 0.73 0.20 -0.07 -0.67 0.00 0.00 178.83 179.02 2dms h LEU 19 N 0.41 0.34 -0.64 1.46 3.38 -0.52 -0.99 115.31 118.75 2dms h LEU 19 Ca 0.09 -0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.19 2dms h LEU 19 Cb 0.47 -0.08 -0.10 0.00 0.09 0.00 0.00 40.66 41.04 2dms h LEU 19 CO 0.02 0.24 0.04 -0.78 0.09 0.00 0.00 178.44 178.06 2dms h ASP 20 N 0.41 -0.20 0.52 -0.43 3.58 -0.99 0.93 116.42 120.24 2dms h ASP 20 Ca 0.12 0.15 -0.03 0.00 0.42 0.00 0.00 57.03 57.70 2dms h ASP 20 Cb -0.02 0.25 0.01 0.00 1.72 0.00 0.00 39.33 41.28 2dms h ASP 20 CO -0.05 -0.09 -0.25 0.58 -2.88 0.00 0.00 179.24 176.56 2dms h VAL 21 N 0.16 0.26 -0.80 2.25 2.07 -1.37 -0.56 116.25 118.27 2dms h VAL 21 Ca 0.34 -0.46 0.19 0.00 0.82 0.00 0.00 66.70 67.59 2dms h VAL 21 Cb 0.55 0.38 -0.14 0.00 -1.52 0.00 0.00 31.29 30.56 2dms h VAL 21 CO -0.51 0.04 -0.01 -0.07 0.02 0.00 0.00 177.57 177.05 2dms h LEU 22 N -1.06 -0.39 0.09 2.57 3.38 -0.81 -0.22 115.31 118.87 2dms h LEU 22 Ca -0.07 0.21 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 2dms h LEU 22 Cb 0.61 0.38 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2dms h LEU 22 CO 0.12 -0.21 -0.04 -0.33 0.09 0.00 0.00 178.44 178.06 2dms h GLU 23 N 0.09 -0.12 -1.03 1.13 4.39 -0.84 -2.54 114.58 115.66 2dms h GLU 23 Ca 0.44 0.01 0.27 0.00 0.34 0.00 0.00 59.36 60.42 2dms h GLU 23 Cb 0.79 0.03 -0.12 0.00 -0.10 0.00 0.00 28.75 29.34 2dms h GLU 23 CO -0.72 0.20 0.62 0.00 -1.16 0.00 0.00 179.01 177.95 2dms h ALA 24 N 0.43 1.96 0.00 3.43 0.00 0.42 0.92 119.26 126.42 2dms h ALA 24 Ca -0.01 0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 2dms h ALA 24 Cb 0.37 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2dms h ALA 24 CO 0.02 -0.45 -0.45 1.25 0.00 0.00 0.00 179.25 179.62 2dms h LEU 25 N 0.47 0.00 -0.08 0.00 5.85 -0.98 -2.87 115.31 117.70 2dms h LEU 25 Ca 0.66 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 59.21 2dms h LEU 25 Cb 1.44 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.44 2dms h LEU 25 CO -0.47 0.45 -0.81 0.15 -0.34 0.00 0.00 178.44 177.42 2dms h PHE 26 N 0.00 0.00 0.00 1.25 3.04 0.12 -1.33 116.94 120.02 2dms h PHE 26 Ca -0.00 0.00 -0.17 0.00 3.98 0.00 0.00 57.97 61.78 2dms h PHE 26 Cb 1.04 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.53 2dms h PHE 26 CO 0.00 0.81 -0.81 0.00 -2.02 0.00 0.00 178.31 176.29 2dms h ALA 27 N 1.19 0.66 0.05 2.41 0.00 -0.75 -3.25 119.26 119.58 2dms h ALA 27 Ca -0.01 -0.74 -0.22 0.00 0.00 0.00 0.00 54.91 53.95 2dms h ALA 27 Cb 1.58 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 2dms h ALA 27 CO 0.10 1.01 -1.16 1.57 0.00 0.00 0.00 179.25 180.78 2dms h LYS 28 N 0.00 0.11 -3.09 0.00 2.10 -1.54 -3.45 116.57 110.71 2dms h LYS 28 Ca -0.01 -0.19 -0.50 0.00 -2.00 0.00 0.00 60.65 57.95 2dms h LYS 28 Cb 1.44 0.07 -0.40 0.00 -0.90 0.00 0.00 32.23 32.43 2dms h LYS 28 CO 0.11 1.09 -0.76 -0.08 -2.00 0.00 0.00 179.45 177.80 2dms s THR 29 N -2.40 0.10 0.37 0.07 -1.32 -0.50 -5.00 115.64 106.95 2dms s THR 29 Ca -0.23 -0.53 0.05 0.00 -1.21 0.00 0.00 61.69 59.77 2dms s THR 29 Cb 0.04 -0.88 0.28 0.00 -1.51 0.00 0.00 72.50 70.43 2dms s THR 29 CO 0.69 -0.45 1.99 0.03 -2.21 0.00 0.00 174.62 174.66 2dms h ARG 30 N 8.36 0.71 -3.16 7.08 3.08 -1.76 -3.27 114.38 125.42 2dms h ARG 30 Ca -0.17 -0.04 -0.64 0.00 0.07 0.00 0.00 59.98 59.20 2dms h ARG 30 Cb 1.09 -0.16 -0.40 0.00 0.08 0.00 0.00 29.97 30.57 2dms h ARG 30 CO 0.36 0.47 -0.45 0.71 -1.07 0.00 0.00 179.97 180.00 2dms s TYR 31 N -5.65 3.65 0.42 3.04 2.02 -1.26 -4.97 117.35 114.61 2dms s TYR 31 Ca -0.09 -3.25 -0.24 0.00 -0.37 0.00 0.00 57.07 53.11 2dms s TYR 31 Cb 0.19 -2.86 -0.08 0.00 -0.40 0.00 0.00 41.96 38.80 2dms s TYR 31 CO 0.76 -0.60 1.18 -1.25 -1.57 0.00 0.00 175.55 174.07 2dms s PRO 32 N -1.38 3.94 0.86 -1.71 0.04 -1.23 -5.05 135.00 130.47 2dms s PRO 32 Ca 0.25 1.84 -0.12 0.00 0.04 0.00 0.00 61.00 63.02 2dms s PRO 32 Cb -0.06 -2.59 0.19 0.00 0.04 0.00 0.00 34.50 32.08 2dms s PRO 32 CO -0.15 -0.42 1.18 -0.25 0.04 0.00 0.00 177.00 177.40 2dms n ASP 33 N -0.12 0.37 0.08 6.66 8.00 -1.26 -4.79 116.55 125.49 2dms n ASP 33 Ca 0.05 -1.60 0.08 0.00 0.71 0.00 0.00 54.79 54.04 2dms n ASP 33 Cb 0.47 -0.87 0.54 0.00 -0.02 0.00 0.00 41.12 41.23 2dms n ASP 33 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 2dms h ILE 34 N -1.46 1.00 -0.09 0.53 6.09 -1.99 -1.92 117.51 119.67 2dms h ILE 34 Ca -0.38 -0.10 -0.01 0.00 -1.37 0.00 0.00 64.86 63.00 2dms h ILE 34 Cb 1.12 0.69 -0.00 0.00 0.47 0.00 0.00 36.82 39.10 2dms h ILE 34 CO 0.30 0.05 0.01 -0.26 -3.07 0.00 0.00 178.15 175.18 2dms h PHE 35 N 0.29 0.16 0.44 2.19 0.04 -1.99 -1.45 116.94 116.62 2dms h PHE 35 Ca 0.13 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.85 2dms h PHE 35 Cb 0.15 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.26 2dms h PHE 35 CO -0.00 0.36 -0.21 0.52 -0.60 0.00 0.00 178.31 178.38 2dms h MET 36 N -0.09 -0.57 -0.50 1.51 2.86 -1.78 -0.90 114.93 115.45 2dms h MET 36 Ca 0.03 0.04 0.09 0.00 -2.06 0.00 0.00 59.70 57.80 2dms h MET 36 Cb 0.29 0.13 -0.08 0.00 0.06 0.00 0.00 31.60 32.00 2dms h MET 36 CO 0.00 -0.35 0.04 0.00 1.06 0.00 0.00 176.91 177.65 2dms h ARG 37 N -0.65 0.15 0.29 1.72 3.08 -1.40 -2.06 114.38 115.51 2dms h ARG 37 Ca -0.06 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 2dms h ARG 37 Cb 0.48 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 2dms h ARG 37 CO 0.10 0.10 -0.20 0.93 -1.07 0.00 0.00 179.97 179.83 2dms h GLU 38 N 0.16 -0.47 -0.00 0.04 5.08 -1.14 -1.53 114.58 116.72 2dms h GLU 38 Ca 0.25 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 2dms h GLU 38 Cb 0.37 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 2dms h GLU 38 CO -0.39 -0.31 -0.01 1.49 -1.00 0.00 0.00 179.01 178.79 2dms h GLU 39 N -0.49 -0.01 -0.50 2.33 4.57 -0.62 -0.47 114.58 119.40 2dms h GLU 39 Ca -0.02 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.21 2dms h GLU 39 Cb 0.42 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 28.92 2dms h GLU 39 CO 0.01 -0.00 -0.56 0.28 -1.18 0.00 0.00 179.01 177.56 2dms h VAL 40 N -0.01 0.01 -0.69 0.32 2.07 -1.42 0.80 116.25 117.32 2dms h VAL 40 Ca 0.00 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.72 2dms h VAL 40 Cb 0.01 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 29.76 2dms h VAL 40 CO -0.01 0.00 0.80 0.00 0.02 0.00 0.00 177.57 178.38 2dms h ALA 41 N 0.07 2.49 0.00 1.67 0.00 -0.99 1.36 119.26 123.86 2dms h ALA 41 Ca 0.09 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 2dms h ALA 41 Cb 0.57 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2dms h ALA 41 CO -0.65 -1.16 -1.62 1.28 0.00 0.00 0.00 179.25 177.10 2dms n LEU 42 N -3.47 0.53 -0.06 0.00 4.77 0.24 -0.63 117.00 118.38 2dms n LEU 42 Ca 0.15 0.22 -0.03 0.00 -0.03 0.00 0.00 56.01 56.32 2dms n LEU 42 Cb 1.04 0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 42.21 2dms n LEU 42 CO 0.25 0.11 -0.11 0.50 -1.33 0.00 0.00 177.39 176.81 2dms h LYS 43 N 0.00 0.00 0.00 3.23 3.64 0.55 -3.33 116.57 120.66 2dms h LYS 43 Ca -0.16 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 2dms h LYS 43 Cb 1.45 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.27 2dms h LYS 43 CO 0.02 0.11 0.00 0.44 -2.27 0.00 0.00 179.45 177.75 2dms n ILE 44 N -4.70 0.21 -3.17 2.00 -5.35 0.94 -4.85 119.36 104.44 2dms n ILE 44 Ca -0.04 0.05 -0.14 0.00 -0.27 0.00 0.00 62.75 62.35 2dms n ILE 44 Cb 0.15 -0.84 0.07 0.00 -1.74 0.00 0.00 39.64 37.28 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 -1.09 -3.60 -4.10 7.28 4.13 -1.23 -4.91 115.26 111.73 2dms n ASN 45 Ca 0.09 -0.58 -0.11 0.00 1.68 0.00 0.00 54.58 55.67 2dms n ASN 45 Cb 0.07 -4.60 -0.11 0.00 -1.54 0.00 0.00 39.78 33.60 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 -5.55 2.40 0.11 3.41 1.43 0.20 -5.02 118.68 115.66 2dms s LEU 46 Ca 0.16 -0.82 -0.31 0.00 -1.03 0.00 0.00 54.13 52.13 2dms s LEU 46 Cb -0.02 -0.03 -0.08 0.00 0.03 0.00 0.00 46.19 46.09 2dms s LEU 46 CO 0.65 -0.39 1.36 -2.16 0.23 0.00 0.00 176.35 176.03 2dms s PRO 47 N -2.93 4.34 0.59 1.29 0.04 -1.26 -4.26 135.00 132.81 2dms s PRO 47 Ca 0.02 2.03 0.34 0.00 0.04 0.00 0.00 61.00 63.43 2dms s PRO 47 Cb -0.00 -3.26 1.26 0.00 0.04 0.00 0.00 34.50 32.54 2dms s PRO 47 CO -0.04 -0.41 1.49 1.49 0.04 0.00 0.00 177.00 179.58 2dms h GLU 48 N 6.78 0.00 0.77 4.56 4.81 -1.89 0.10 114.58 129.71 2dms h GLU 48 Ca -0.42 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.77 2dms h GLU 48 Cb 1.21 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.60 2dms h GLU 48 CO 0.86 0.00 -0.37 0.77 -0.73 0.00 0.00 179.01 179.54 2dms h SER 49 N 0.00 -0.87 -0.78 1.04 0.02 -1.97 -2.12 113.55 108.87 2dms h SER 49 Ca 0.58 0.03 0.18 0.00 -0.84 0.00 0.00 61.79 61.74 2dms h SER 49 Cb 2.87 0.23 -0.12 0.00 0.14 0.00 0.00 62.40 65.52 2dms h SER 49 CO -0.01 -0.53 0.19 0.03 -1.14 0.00 0.00 176.83 175.37 2dms h ARG 50 N -1.22 0.25 0.25 3.45 2.47 -1.17 -0.75 114.38 117.65 2dms h ARG 50 Ca -0.11 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.60 2dms h ARG 50 Cb 0.79 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 29.03 2dms h ARG 50 CO 0.17 0.16 -0.28 0.28 0.56 0.00 0.00 179.97 180.87 2dms h VAL 51 N 0.25 0.40 0.41 2.04 2.07 -1.48 0.33 116.25 120.28 2dms h VAL 51 Ca 0.45 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.96 2dms h VAL 51 Cb 0.81 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 2dms h VAL 51 CO -0.56 0.00 -0.50 -0.61 0.02 0.00 0.00 177.57 175.93 2dms h GLN 52 N -0.57 -0.89 -0.34 1.57 4.15 -0.54 -2.90 115.11 115.58 2dms h GLN 52 Ca -0.00 0.06 0.07 0.00 0.77 0.00 0.00 58.65 59.55 2dms h GLN 52 Cb 0.54 0.20 -0.09 0.00 0.21 0.00 0.00 27.48 28.35 2dms h GLN 52 CO -0.08 -0.59 -0.35 0.28 -1.93 0.00 0.00 178.83 176.16 2dms h VAL 53 N -0.93 0.21 -0.91 2.39 2.07 -1.13 -0.01 116.25 117.94 2dms h VAL 53 Ca -0.05 0.00 0.36 0.00 0.82 0.00 0.00 66.70 67.84 2dms h VAL 53 Cb 0.82 0.21 -0.17 0.00 -1.52 0.00 0.00 31.29 30.64 2dms h VAL 53 CO -0.11 0.00 0.42 1.87 0.02 0.00 0.00 177.57 179.78 2dms n TRP 54 N -5.42 1.00 0.20 1.57 -0.00 0.10 -0.21 117.44 114.69 2dms n TRP 54 Ca -0.00 1.08 -0.11 0.00 -0.00 0.00 0.00 57.50 58.47 2dms n TRP 54 Cb 0.34 -1.44 -0.06 0.00 -0.00 0.00 0.00 31.31 30.15 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 -0.53 -0.25 5.87 -1.00 -0.85 -0.99 116.94 119.19 2dms h PHE 55 Ca 0.75 -0.01 0.06 0.00 2.81 0.00 0.00 57.97 61.57 2dms h PHE 55 Cb 1.92 0.18 -0.07 0.00 3.61 0.00 0.00 35.95 41.59 2dms h PHE 55 CO -0.08 -0.24 -0.27 0.87 -1.61 0.00 0.00 178.31 176.98 2dms h LYS 56 N -1.06 -0.27 0.43 1.51 1.57 -0.25 0.11 116.57 118.61 2dms h LYS 56 Ca -0.06 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 2dms h LYS 56 Cb 0.53 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.90 2dms h LYS 56 CO 0.10 -0.18 -0.23 -0.91 -0.57 0.00 0.00 179.45 177.65 2dms h ASN 57 N -0.28 -0.57 -0.23 0.86 2.35 -0.69 -2.48 115.58 114.54 2dms h ASN 57 Ca 0.14 0.03 0.02 0.00 -0.55 0.00 0.00 56.30 55.93 2dms h ASN 57 Cb 0.49 0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.98 2dms h ASN 57 CO -0.41 -0.38 -0.21 -0.09 -1.65 0.00 0.00 177.43 174.70 2dms h ARG 58 N -0.61 -0.09 -0.86 0.81 9.65 -1.05 0.14 114.38 122.37 2dms h ARG 58 Ca -0.06 0.01 0.16 0.00 -1.10 0.00 0.00 59.98 58.99 2dms h ARG 58 Cb 0.48 0.02 -0.16 0.00 -1.39 0.00 0.00 29.97 28.92 2dms h ARG 58 CO 0.08 -0.06 -0.24 -2.13 2.80 0.00 0.00 179.97 180.42 2dms n ARG 59 N -3.74 -0.10 -0.14 0.20 0.63 0.39 0.11 116.66 114.01 2dms n ARG 59 Ca -0.01 1.34 -0.09 0.00 -0.92 0.00 0.00 57.85 58.18 2dms n ARG 59 Cb 0.11 -2.00 -0.00 0.00 0.45 0.00 0.00 32.46 31.02 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 1.61 0.54 -0.71 5.13 0.00 -0.60 -2.85 119.26 122.38 2dms h ALA 60 Ca 0.39 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.22 2dms h ALA 60 Cb 0.60 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 2dms h ALA 60 CO -0.88 0.10 0.44 -0.22 0.00 0.00 0.00 179.25 178.69 2dms h LYS 61 N 0.54 0.84 -0.90 0.00 1.63 0.34 -2.17 116.57 116.86 2dms h LYS 61 Ca 0.14 -0.05 0.20 0.00 -0.85 0.00 0.00 60.65 60.10 2dms h LYS 61 Cb 0.11 -0.19 -0.12 0.00 -0.60 0.00 0.00 32.23 31.44 2dms h LYS 61 CO -0.02 0.56 0.43 0.00 -3.45 0.00 0.00 179.45 176.97 2dms h ARG 63 N 0.49 0.11 -0.73 0.00 9.65 -1.36 -3.07 114.38 119.46 2dms h ARG 63 Ca 0.54 -0.03 0.04 0.00 -1.10 0.00 0.00 59.98 59.44 2dms h ARG 63 Cb 0.97 -0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 29.49 2dms h ARG 63 CO -0.48 0.32 0.45 0.37 2.80 0.00 0.00 179.97 183.43 2dms h GLN 64 N -0.12 0.82 -6.00 0.20 -0.00 -0.94 -3.44 115.11 105.63 2dms h GLN 64 Ca 0.02 -0.05 -0.63 0.00 -0.00 0.00 0.00 58.65 57.99 2dms h GLN 64 Cb 0.26 -0.19 0.15 0.00 0.00 0.00 0.00 27.48 27.70 2dms h GLN 64 CO 0.00 0.54 -0.85 0.94 0.00 0.00 0.00 178.83 179.46 2dms n GLN 65 N -4.68 0.00 -0.37 1.69 7.27 0.12 -4.79 117.38 116.63 2dms n GLN 65 Ca 0.09 0.00 -0.04 0.00 0.07 0.00 0.00 57.00 57.12 2dms n GLN 65 Cb 0.13 -1.00 -0.00 0.00 2.41 0.00 0.00 30.24 31.77 2dms n GLN 65 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 2dms h GLN 66 N 0.48 -0.03 -6.17 3.69 4.20 -1.87 -3.40 115.11 112.01 2dms h GLN 66 Ca -0.35 0.00 -0.72 0.00 0.06 0.00 0.00 58.65 57.65 2dms h GLN 66 Cb 1.44 0.01 0.05 0.00 0.30 0.00 0.00 27.48 29.29 2dms h GLN 66 CO 0.49 -0.02 0.30 1.04 -0.67 0.00 0.00 178.83 179.97 2dms n GLN 67 N -5.41 0.72 -3.45 1.46 1.13 -1.26 -4.95 117.38 105.63 2dms n GLN 67 Ca 0.07 0.26 -0.12 0.00 -1.94 0.00 0.00 57.00 55.27 2dms n GLN 67 Cb 0.36 -1.85 -0.02 0.00 0.11 0.00 0.00 30.24 28.84 2dms n GLN 67 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2dms s GLN 68 N 0.28 1.17 -0.80 -1.09 -0.21 -1.26 -4.86 119.66 112.89 2dms s GLN 68 Ca 0.86 -0.37 -0.31 0.00 0.02 0.00 0.00 55.36 55.57 2dms s GLN 68 Cb -1.07 0.54 -0.17 0.00 1.00 0.00 0.00 33.01 33.31 2dms s GLN 68 CO 0.51 -0.50 2.56 1.04 -2.12 0.00 0.00 175.29 176.78 2dms n GLN 69 N -0.23 0.34 -3.89 2.91 1.13 -1.26 -1.65 117.38 114.72 2dms n GLN 69 Ca -0.16 0.02 -0.30 0.00 -1.94 0.00 0.00 57.00 54.62 2dms n GLN 69 Cb 0.64 -2.06 -0.07 0.00 0.11 0.00 0.00 30.24 28.85 2dms n GLN 69 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 2dms n GLN 70 N 8.55 -0.85 -3.16 -1.09 -0.06 -1.26 -4.83 117.38 114.69 2dms n GLN 70 Ca 0.56 0.09 -0.44 0.00 -2.00 0.00 0.00 57.00 55.22 2dms n GLN 70 Cb 0.17 -3.33 -0.06 0.00 -4.06 0.00 0.00 30.24 22.97 2dms n GLN 70 CO 0.00 0.00 0.00 1.21 -0.20 0.00 0.00 177.06 178.07 2dms s ASN 71 N -3.28 6.20 0.34 1.69 2.47 -0.66 -5.03 114.94 116.68 2dms s ASN 71 Ca 0.39 -1.15 -0.24 0.00 0.42 0.00 0.00 52.86 52.29 2dms s ASN 71 Cb -0.23 -2.28 -0.15 0.00 -1.45 0.00 0.00 41.25 37.13 2dms s ASN 71 CO 0.79 -0.95 0.37 0.61 -3.72 0.00 0.00 177.10 174.20 2dms n GLY 72 N 5.21 -2.03 3.60 1.21 0.00 -1.26 -4.69 105.19 107.23 2dms n GLY 72 Ca -0.08 0.12 -0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.97 -0.54 -0.24 -0.02 0.00 -1.26 -5.08 107.32 99.21 2dms s GLY 73 Ca 0.62 2.57 -0.27 0.00 0.00 0.00 0.00 44.72 47.63 2dms s GLY 73 CO 0.60 2.89 0.96 1.62 0.00 0.00 0.00 173.10 179.16 2dms s GLN 74 N 2.36 4.22 0.41 2.90 0.74 -1.26 -5.02 119.66 124.00 2dms s GLN 74 Ca -0.07 1.18 -0.24 0.00 0.05 0.00 0.00 55.36 56.27 2dms s GLN 74 Cb -0.08 -3.65 -0.08 0.00 1.10 0.00 0.00 33.01 30.29 2dms s GLN 74 CO -0.19 -0.60 1.14 -1.54 -0.55 0.00 0.00 175.29 173.55 2dms s SER 75 N 1.28 6.51 0.00 6.67 1.04 -1.26 -5.04 113.70 122.91 2dms s SER 75 Ca 0.40 2.26 0.00 0.00 0.48 0.00 0.00 55.95 59.09 2dms s SER 75 Cb -0.15 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.37 2dms s SER 75 CO 0.07 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.22 2dms n GLY 76 N 0.53 5.44 0.14 7.32 0.00 -1.26 -5.02 105.19 112.33 2dms n GLY 76 Ca 0.05 -1.45 0.12 0.00 0.00 0.00 0.00 46.02 44.74 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 0.00 0.20 -1.68 1.61 -0.04 -1.26 -4.81 135.00 129.02 2dms n PRO 77 Ca 0.00 0.43 -0.55 0.00 -0.04 0.00 0.00 63.50 63.34 2dms n PRO 77 Cb 0.00 -1.89 -0.07 0.00 -0.04 0.00 0.00 33.50 31.50 2dms n PRO 77 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dms n SER 78 N -2.27 2.24 -5.00 3.54 7.64 -1.26 -4.95 113.62 113.56 2dms n SER 78 Ca 0.02 1.08 -0.19 0.00 1.01 0.00 0.00 58.87 60.80 2dms n SER 78 Cb 0.23 -1.17 0.02 0.00 -1.01 0.00 0.00 64.21 62.28 2dms n SER 78 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dms s SER 79 N 2.69 5.60 0.00 6.43 1.04 -1.26 -5.17 113.70 123.03 2dms s SER 79 Ca 0.94 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 57.11 2dms s SER 79 Cb -1.02 -0.82 0.00 0.00 0.10 0.00 0.00 66.02 64.29 2dms s SER 79 CO 0.59 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.61