#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 0.53 -1.09 1.61 1.04 -1.26 -4.80 113.70 109.73 2dms s SER 2 Ca 0.00 1.25 -0.23 0.00 0.48 0.00 0.00 55.95 57.45 2dms s SER 2 Cb 0.00 -1.92 -0.08 0.00 0.10 0.00 0.00 66.02 64.13 2dms s SER 2 CO 0.00 -4.44 1.95 -0.44 0.98 0.00 0.00 173.24 171.28 2dms s SER 3 N -2.82 5.02 1.29 7.02 0.01 -1.26 -4.76 113.70 118.20 2dms s SER 3 Ca 0.68 -1.31 0.00 0.00 1.31 0.00 0.00 55.95 56.63 2dms s SER 3 Cb -0.21 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.44 2dms s SER 3 CO 0.62 -3.01 0.00 0.61 0.41 0.00 0.00 173.24 171.87 2dms n GLY 4 N 6.16 2.80 2.94 3.44 0.00 -1.26 -4.25 105.19 115.02 2dms n GLY 4 Ca 0.43 -0.30 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.00 0.00 -1.37 1.61 1.04 -1.26 -4.89 113.70 104.82 2dms s SER 5 Ca 0.00 0.36 -0.01 0.00 0.48 0.00 0.00 55.95 56.78 2dms s SER 5 Cb 0.00 0.26 0.01 0.00 0.10 0.00 0.00 66.02 66.39 2dms s SER 5 CO 0.00 -0.17 0.59 -0.24 0.98 0.00 0.00 173.24 174.40 2dms n SER 6 N 4.42 -1.01 -3.58 7.02 2.88 -1.26 -4.96 113.62 117.13 2dms n SER 6 Ca -0.22 -0.91 -0.29 0.00 -1.33 0.00 0.00 58.87 56.12 2dms n SER 6 Cb 0.52 -3.56 -0.14 0.00 -0.75 0.00 0.00 64.21 60.28 2dms n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dms s GLY 7 N -4.28 0.87 1.18 0.46 0.00 -1.26 -5.13 107.32 99.15 2dms s GLY 7 Ca 0.06 -1.63 -0.13 0.00 0.00 0.00 0.00 44.72 43.02 2dms s GLY 7 CO 0.85 1.91 1.03 1.09 0.00 0.00 0.00 173.10 177.98 2dms s ARG 8 N 1.47 -1.03 0.08 2.90 3.03 -1.26 -4.53 118.95 119.62 2dms s ARG 8 Ca 0.13 0.88 -0.34 0.00 2.03 0.00 0.00 55.73 58.43 2dms s ARG 8 Cb -0.19 -1.54 -0.18 0.00 -1.03 0.00 0.00 34.95 32.01 2dms s ARG 8 CO -0.18 -3.81 0.81 2.89 -1.13 0.00 0.00 175.30 173.88 2dms n ARG 9 N -4.98 0.00 -4.44 3.89 1.85 -1.26 -4.96 116.66 106.76 2dms n ARG 9 Ca 0.03 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.65 2dms n ARG 9 Cb 0.54 -1.25 -0.10 0.00 -1.05 0.00 0.00 32.46 30.60 2dms n ARG 9 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2dms s GLU 10 N -0.41 1.59 -0.24 2.89 0.41 -1.26 -5.06 118.70 116.61 2dms s GLU 10 Ca 0.77 -1.73 0.03 0.00 -0.41 0.00 0.00 54.97 53.63 2dms s GLU 10 Cb -1.09 -1.57 -0.18 0.00 -1.78 0.00 0.00 34.13 29.50 2dms s GLU 10 CO 0.55 0.27 -0.15 2.89 -0.49 0.00 0.00 175.26 178.33 2dms n ARG 11 N -0.57 0.66 -0.09 1.61 1.85 -1.26 -4.49 116.66 114.38 2dms n ARG 11 Ca -0.06 0.15 -0.07 0.00 -1.00 0.00 0.00 57.85 56.87 2dms n ARG 11 Cb 0.60 -1.54 0.01 0.00 -1.05 0.00 0.00 32.46 30.48 2dms n ARG 11 CO 0.00 0.00 0.00 1.15 -0.01 0.00 0.00 177.63 178.77 2dms h THR 12 N 0.01 0.86 -4.23 8.89 2.02 -2.02 -3.43 112.91 115.01 2dms h THR 12 Ca -0.56 -0.07 -0.53 0.00 0.77 0.00 0.00 66.41 66.02 2dms h THR 12 Cb 1.94 0.65 0.19 0.00 -1.74 0.00 0.00 68.15 69.19 2dms h THR 12 CO -0.06 0.04 0.30 -0.89 0.37 0.00 0.00 175.52 175.27 2dms s THR 13 N -6.17 2.04 0.39 3.16 2.01 -1.26 -4.96 115.64 110.85 2dms s THR 13 Ca -0.13 0.02 -0.25 0.00 0.31 0.00 0.00 61.69 61.63 2dms s THR 13 Cb 0.12 -2.28 -0.09 0.00 0.01 0.00 0.00 72.50 70.26 2dms s THR 13 CO 0.70 -0.01 1.11 -0.36 -0.69 0.00 0.00 174.62 175.37 2dms s PHE 14 N -2.33 3.18 0.37 4.92 0.08 -1.26 -5.00 117.98 117.94 2dms s PHE 14 Ca 0.71 1.60 0.08 0.00 0.12 0.00 0.00 56.93 59.44 2dms s PHE 14 Cb -0.27 -3.27 -0.03 0.00 -0.57 0.00 0.00 43.02 38.88 2dms s PHE 14 CO 0.53 -0.98 0.25 0.95 -0.10 0.00 0.00 175.22 175.87 2dms s THR 15 N -1.50 3.00 0.19 0.64 -4.23 -1.26 -4.96 115.64 107.52 2dms s THR 15 Ca 0.57 -1.51 -0.12 0.00 -1.18 0.00 0.00 61.69 59.45 2dms s THR 15 Cb -0.27 -3.05 0.10 0.00 1.34 0.00 0.00 72.50 70.62 2dms s THR 15 CO 0.34 -0.11 1.80 0.03 -0.54 0.00 0.00 174.62 176.14 2dms h ARG 16 N 1.32 0.59 -0.26 3.99 2.47 -1.98 0.20 114.38 120.71 2dms h ARG 16 Ca -0.43 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.25 2dms h ARG 16 Cb 1.26 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 29.43 2dms h ARG 16 CO 0.61 0.39 0.17 0.00 0.56 0.00 0.00 179.97 181.70 2dms h ALA 17 N 1.29 0.32 -0.30 0.04 0.00 -1.99 0.93 119.26 119.55 2dms h ALA 17 Ca 0.25 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 2dms h ALA 17 Cb 0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2dms h ALA 17 CO -0.15 -0.20 0.06 1.96 0.00 0.00 0.00 179.25 180.93 2dms h GLN 18 N 0.34 0.48 0.69 0.00 4.20 -1.78 -3.02 115.11 116.03 2dms h GLN 18 Ca 0.09 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 2dms h GLN 18 Cb -0.03 -0.06 0.01 0.00 0.30 0.00 0.00 27.48 27.70 2dms h GLN 18 CO -0.02 0.57 -0.33 -0.07 -0.67 0.00 0.00 178.83 178.31 2dms h LEU 19 N 0.31 -0.79 -0.98 1.46 3.38 -0.45 -1.26 115.31 117.00 2dms h LEU 19 Ca 0.09 0.02 0.13 0.00 0.09 0.00 0.00 57.88 58.22 2dms h LEU 19 Cb 0.31 0.20 -0.14 0.00 0.09 0.00 0.00 40.66 41.12 2dms h LEU 19 CO 0.00 -0.55 -0.44 -0.67 0.09 0.00 0.00 178.44 176.86 2dms n ASP 20 N -5.49 -0.76 0.32 -0.43 2.03 0.31 -0.50 116.55 112.03 2dms n ASP 20 Ca -0.14 1.72 -0.13 0.00 0.52 0.00 0.00 54.79 56.77 2dms n ASP 20 Cb 0.38 -0.34 -0.06 0.00 -0.72 0.00 0.00 41.12 40.38 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 0.00 -0.91 5.18 2.07 -1.44 0.12 116.25 121.27 2dms h VAL 21 Ca 0.28 -0.03 0.13 0.00 0.82 0.00 0.00 66.70 67.91 2dms h VAL 21 Cb 0.53 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.15 2dms h VAL 21 CO -0.96 0.00 -0.37 0.18 0.02 0.00 0.00 177.57 176.44 2dms n LEU 22 N -4.29 -0.63 -0.18 2.57 4.77 -0.48 0.70 117.00 119.46 2dms n LEU 22 Ca -0.10 1.59 -0.07 0.00 -0.03 0.00 0.00 56.01 57.39 2dms n LEU 22 Cb 0.32 -0.35 0.02 0.00 -2.33 0.00 0.00 43.42 41.08 2dms n LEU 22 CO 0.25 -1.41 1.02 -0.33 -1.33 0.00 0.00 177.39 175.58 2dms h GLU 23 N 0.00 0.73 -0.82 3.23 5.08 -0.76 -2.06 114.58 119.98 2dms h GLU 23 Ca 0.30 -0.09 0.20 0.00 -1.00 0.00 0.00 59.36 58.76 2dms h GLU 23 Cb 0.53 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 2dms h GLU 23 CO -0.90 0.58 0.56 0.00 -1.00 0.00 0.00 179.01 178.25 2dms h ALA 24 N 1.11 2.37 0.00 3.43 0.00 0.24 0.48 119.26 126.89 2dms h ALA 24 Ca 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2dms h ALA 24 Cb 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2dms h ALA 24 CO -0.03 -0.62 -0.47 1.25 0.00 0.00 0.00 179.25 179.39 2dms h LEU 25 N 0.26 0.00 0.00 0.00 5.85 -0.51 -3.24 115.31 117.67 2dms h LEU 25 Ca 0.41 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.09 2dms h LEU 25 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 2dms h LEU 25 CO -0.10 0.02 -0.36 0.15 -0.34 0.00 0.00 178.44 177.81 2dms h PHE 26 N 0.00 0.00 0.00 1.25 3.04 0.56 -2.18 116.94 119.61 2dms h PHE 26 Ca 0.00 0.00 -0.22 0.00 3.98 0.00 0.00 57.97 61.73 2dms h PHE 26 Cb 0.93 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 39.40 2dms h PHE 26 CO 0.00 0.00 -1.51 0.00 -2.02 0.00 0.00 178.31 174.78 2dms h ALA 27 N 2.39 0.70 0.05 2.41 0.00 -1.24 -3.37 119.26 120.20 2dms h ALA 27 Ca 0.00 -1.12 -0.29 0.00 0.00 0.00 0.00 54.91 53.50 2dms h ALA 27 Cb 0.81 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 2dms h ALA 27 CO 0.00 1.22 -1.59 0.36 0.00 0.00 0.00 179.25 179.24 2dms n LYS 28 N -2.98 0.65 -3.58 0.00 2.85 -1.22 -4.75 118.16 109.12 2dms n LYS 28 Ca -0.12 0.44 -0.20 0.00 -1.05 0.00 0.00 58.31 57.38 2dms n LYS 28 Cb 0.93 -1.73 -0.15 0.00 -0.65 0.00 0.00 35.03 33.44 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 -2.45 -0.24 0.33 0.58 -1.32 -0.82 -5.01 115.64 106.72 2dms s THR 29 Ca -0.26 0.04 0.09 0.00 -1.21 0.00 0.00 61.69 60.34 2dms s THR 29 Cb 0.06 -0.51 0.08 0.00 -1.51 0.00 0.00 72.50 70.62 2dms s THR 29 CO 0.67 -0.10 1.78 0.03 -2.21 0.00 0.00 174.62 174.78 2dms h ARG 30 N 8.36 0.18 -3.12 7.08 3.08 -1.75 -3.35 114.38 124.86 2dms h ARG 30 Ca -0.15 -0.07 -0.63 0.00 0.07 0.00 0.00 59.98 59.20 2dms h ARG 30 Cb 1.14 -0.01 -0.41 0.00 0.08 0.00 0.00 29.97 30.77 2dms h ARG 30 CO 0.24 0.50 -0.53 0.71 -1.07 0.00 0.00 179.97 179.82 2dms s TYR 31 N -4.29 3.59 0.79 3.04 2.02 -1.26 -4.99 117.35 116.24 2dms s TYR 31 Ca -0.04 -3.31 -0.11 0.00 -0.37 0.00 0.00 57.07 53.24 2dms s TYR 31 Cb 0.14 -2.76 0.07 0.00 -0.40 0.00 0.00 41.96 39.00 2dms s TYR 31 CO 0.75 -0.57 1.09 -1.25 -1.57 0.00 0.00 175.55 174.00 2dms s PRO 32 N -1.40 2.14 0.64 -1.71 0.04 -1.25 -5.06 135.00 128.39 2dms s PRO 32 Ca 0.25 1.13 0.02 0.00 0.04 0.00 0.00 61.00 62.44 2dms s PRO 32 Cb -0.06 -1.89 0.09 0.00 0.04 0.00 0.00 34.50 32.69 2dms s PRO 32 CO -0.16 -1.72 0.89 0.34 0.04 0.00 0.00 177.00 176.40 2dms s ASP 33 N -3.40 4.75 0.25 6.66 2.15 -1.26 -4.87 116.67 120.96 2dms s ASP 33 Ca 0.61 -0.39 -0.03 0.00 0.43 0.00 0.00 52.55 53.17 2dms s ASP 33 Cb -0.17 -0.16 0.44 0.00 -0.30 0.00 0.00 42.92 42.72 2dms s ASP 33 CO 0.56 -1.56 1.80 -0.29 -0.17 0.00 0.00 175.17 175.51 2dms h ILE 34 N -0.21 0.87 -0.06 4.11 6.09 -1.99 -0.68 117.51 125.64 2dms h ILE 34 Ca -0.36 -0.26 0.01 0.00 -1.37 0.00 0.00 64.86 62.88 2dms h ILE 34 Cb 1.28 0.04 -0.01 0.00 0.47 0.00 0.00 36.82 38.59 2dms h ILE 34 CO 0.43 0.14 -0.03 -0.26 -3.07 0.00 0.00 178.15 175.36 2dms h PHE 35 N 0.76 -0.06 0.17 2.19 0.04 -1.99 0.19 116.94 118.24 2dms h PHE 35 Ca 0.42 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 61.19 2dms h PHE 35 Cb 0.44 0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.63 2dms h PHE 35 CO -0.07 -0.04 -0.09 0.52 -0.60 0.00 0.00 178.31 178.03 2dms h MET 36 N -0.02 -0.23 -0.81 1.51 2.86 -1.76 -1.54 114.93 114.94 2dms h MET 36 Ca 0.03 0.02 0.09 0.00 -2.06 0.00 0.00 59.70 57.78 2dms h MET 36 Cb 0.07 0.05 -0.07 0.00 0.06 0.00 0.00 31.60 31.71 2dms h MET 36 CO -0.07 -0.16 0.45 0.00 1.06 0.00 0.00 176.91 178.20 2dms h ARG 37 N -0.24 0.74 0.57 1.72 3.08 -1.00 -2.29 114.38 116.97 2dms h ARG 37 Ca -0.02 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 2dms h ARG 37 Cb 0.19 -0.17 0.01 0.00 0.08 0.00 0.00 29.97 30.08 2dms h ARG 37 CO 0.03 0.49 -0.28 0.93 -1.07 0.00 0.00 179.97 180.08 2dms h GLU 38 N 0.76 -0.74 -0.17 0.04 5.08 -0.65 -0.74 114.58 118.16 2dms h GLU 38 Ca 0.39 0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.83 2dms h GLU 38 Cb 0.36 0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.73 2dms h GLU 38 CO -0.25 -0.49 -0.36 1.49 -1.00 0.00 0.00 179.01 178.40 2dms h GLU 39 N -0.78 -0.31 0.04 2.33 4.81 -0.91 0.24 114.58 120.00 2dms h GLU 39 Ca -0.08 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.19 2dms h GLU 39 Cb 0.59 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.99 2dms h GLU 39 CO 0.13 -0.21 -0.51 0.28 -0.73 0.00 0.00 179.01 177.98 2dms h VAL 40 N -0.32 0.04 -0.89 0.32 2.07 -1.44 1.08 116.25 117.11 2dms h VAL 40 Ca 0.03 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.81 2dms h VAL 40 Cb 0.41 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.19 2dms h VAL 40 CO -0.33 0.00 0.69 0.00 0.02 0.00 0.00 177.57 177.95 2dms h ALA 41 N -0.35 2.80 0.00 1.67 0.00 -0.79 0.69 119.26 123.28 2dms h ALA 41 Ca 0.02 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 2dms h ALA 41 Cb 0.72 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2dms h ALA 41 CO -0.33 -1.15 -1.31 1.28 0.00 0.00 0.00 179.25 177.74 2dms n LEU 42 N -4.09 0.79 -0.02 0.00 4.77 0.80 -0.70 117.00 118.55 2dms n LEU 42 Ca 0.19 0.33 -0.00 0.00 -0.03 0.00 0.00 56.01 56.49 2dms n LEU 42 Cb 1.01 0.03 -0.00 0.00 -2.33 0.00 0.00 43.42 42.12 2dms n LEU 42 CO 0.36 0.02 -0.03 0.50 -1.33 0.00 0.00 177.39 176.91 2dms h LYS 43 N 0.00 0.00 0.00 3.23 3.64 0.69 -3.34 116.57 120.79 2dms h LYS 43 Ca -0.10 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2dms h LYS 43 Cb 1.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 2dms h LYS 43 CO 0.03 0.00 0.02 0.44 -2.27 0.00 0.00 179.45 177.67 2dms n ILE 44 N -2.84 1.79 -2.62 2.00 -5.35 0.67 -4.81 119.36 108.20 2dms n ILE 44 Ca -0.01 0.53 -0.07 0.00 -0.27 0.00 0.00 62.75 62.93 2dms n ILE 44 Cb 0.02 -1.53 0.03 0.00 -1.74 0.00 0.00 39.64 36.43 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 -1.58 -2.29 -4.12 7.28 5.15 -1.23 -4.82 115.26 113.66 2dms n ASN 45 Ca -0.00 -0.24 -0.12 0.00 -0.60 0.00 0.00 54.58 53.62 2dms n ASN 45 Cb 0.03 -2.30 -0.11 0.00 -0.53 0.00 0.00 39.78 36.87 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 -3.67 2.38 0.09 1.20 1.43 0.12 -5.02 118.68 115.20 2dms s LEU 46 Ca 0.04 -0.77 -0.31 0.00 -1.03 0.00 0.00 54.13 52.05 2dms s LEU 46 Cb -0.02 -0.15 -0.07 0.00 0.03 0.00 0.00 46.19 45.98 2dms s LEU 46 CO 0.29 -0.32 1.38 -2.16 0.23 0.00 0.00 176.35 175.77 2dms s PRO 47 N -2.67 4.32 0.44 1.29 0.04 -1.26 -4.21 135.00 132.95 2dms s PRO 47 Ca 0.01 2.03 0.36 0.00 0.04 0.00 0.00 61.00 63.44 2dms s PRO 47 Cb -0.03 -3.33 1.43 0.00 0.04 0.00 0.00 34.50 32.62 2dms s PRO 47 CO -0.02 -0.45 1.40 -1.91 0.04 0.00 0.00 177.00 176.06 2dms n GLU 48 N 4.26 -0.02 0.04 4.56 0.00 -1.26 0.12 120.64 128.34 2dms n GLU 48 Ca 0.12 1.06 -0.11 0.00 0.00 0.00 0.00 57.16 58.23 2dms n GLU 48 Cb 0.43 -2.23 -0.06 0.00 0.00 0.00 0.00 31.44 29.58 2dms n GLU 48 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 2dms h SER 49 N 0.00 -0.14 -0.30 4.31 0.87 -1.97 -0.03 113.55 116.29 2dms h SER 49 Ca 0.81 0.02 0.09 0.00 -1.23 0.00 0.00 61.79 61.49 2dms h SER 49 Cb 2.91 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 64.92 2dms h SER 49 CO -0.25 -0.07 0.22 0.03 -0.53 0.00 0.00 176.83 176.23 2dms h ARG 50 N -0.08 0.00 0.11 2.24 2.47 0.52 -0.59 114.38 119.06 2dms h ARG 50 Ca 0.03 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.74 2dms h ARG 50 Cb 0.11 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.43 2dms h ARG 50 CO -0.06 0.00 -0.05 0.28 0.56 0.00 0.00 179.97 180.69 2dms h VAL 51 N 0.00 0.68 -0.91 2.04 2.07 -1.19 -0.72 116.25 118.22 2dms h VAL 51 Ca 0.14 -1.27 0.13 0.00 0.82 0.00 0.00 66.70 66.53 2dms h VAL 51 Cb 0.58 1.21 -0.07 0.00 -1.52 0.00 0.00 31.29 31.49 2dms h VAL 51 CO -0.00 0.20 0.58 -0.61 0.02 0.00 0.00 177.57 177.77 2dms h GLN 52 N -0.96 0.75 -0.00 1.57 4.15 -0.71 -2.35 115.11 117.55 2dms h GLN 52 Ca -0.02 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.34 2dms h GLN 52 Cb 0.45 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.97 2dms h GLN 52 CO 0.03 0.50 -0.06 0.28 -1.93 0.00 0.00 178.83 177.64 2dms h VAL 53 N 0.77 1.59 -0.11 2.39 2.07 -1.21 -3.12 116.25 118.64 2dms h VAL 53 Ca 0.45 -1.82 0.03 0.00 0.82 0.00 0.00 66.70 66.18 2dms h VAL 53 Cb 0.64 2.80 -0.00 0.00 -1.52 0.00 0.00 31.29 33.21 2dms h VAL 53 CO -0.21 0.48 0.62 -0.25 0.02 0.00 0.00 177.57 178.22 2dms h TRP 54 N -0.69 0.00 0.00 1.57 7.01 -0.61 -0.49 115.95 122.73 2dms h TRP 54 Ca -0.01 0.00 -0.03 0.00 2.11 0.00 0.00 58.89 60.96 2dms h TRP 54 Cb 0.82 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.87 2dms h TRP 54 CO 0.19 0.00 -0.32 0.74 -2.79 0.00 0.00 178.44 176.26 2dms h PHE 55 N 0.00 0.00 -0.36 2.65 -1.00 -1.44 -3.16 116.94 113.63 2dms h PHE 55 Ca 0.05 0.00 0.10 0.00 2.81 0.00 0.00 57.97 60.94 2dms h PHE 55 Cb 1.29 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.84 2dms h PHE 55 CO 0.00 0.41 0.53 1.57 -1.61 0.00 0.00 178.31 179.21 2dms h LYS 56 N -1.00 0.00 0.04 1.51 2.10 -1.06 -0.91 116.57 117.26 2dms h LYS 56 Ca -0.05 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.60 2dms h LYS 56 Cb 0.52 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.85 2dms h LYS 56 CO -0.03 0.00 -0.02 -0.91 -2.00 0.00 0.00 179.45 176.49 2dms h ASN 57 N 0.00 -0.05 -0.08 7.07 2.35 -1.48 -3.21 115.58 120.19 2dms h ASN 57 Ca 0.17 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.95 2dms h ASN 57 Cb 1.22 0.01 -0.06 0.00 0.05 0.00 0.00 38.32 39.54 2dms h ASN 57 CO -0.00 0.09 -0.48 0.03 -1.65 0.00 0.00 177.43 175.42 2dms h ARG 58 N -0.31 -0.56 -0.99 0.81 2.47 -1.41 -1.52 114.38 112.87 2dms h ARG 58 Ca -0.01 0.04 0.23 0.00 -1.26 0.00 0.00 59.98 58.98 2dms h ARG 58 Cb 0.04 0.13 -0.19 0.00 -1.65 0.00 0.00 29.97 28.30 2dms h ARG 58 CO 0.01 -0.37 -0.14 -0.09 0.56 0.00 0.00 179.97 179.93 2dms h ARG 59 N -0.58 0.00 -0.23 0.04 2.43 -1.37 0.46 114.38 115.13 2dms h ARG 59 Ca 0.05 -0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.26 2dms h ARG 59 Cb 0.67 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.18 2dms h ARG 59 CO -0.39 0.00 -0.07 0.00 -1.51 0.00 0.00 179.97 178.00 2dms h ALA 60 N 1.99 0.13 -0.47 2.80 0.00 -1.28 -1.28 119.26 121.15 2dms h ALA 60 Ca 0.52 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.56 2dms h ALA 60 Cb 0.92 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 2dms h ALA 60 CO -0.99 -0.49 0.31 0.87 0.00 0.00 0.00 179.25 178.96 2dms h LYS 61 N -0.03 0.49 0.38 0.00 6.56 0.20 -1.29 116.57 122.88 2dms h LYS 61 Ca 0.11 -0.03 -0.01 0.00 -1.06 0.00 0.00 60.65 59.67 2dms h LYS 61 Cb 0.20 -0.11 -0.02 0.00 -0.57 0.00 0.00 32.23 31.73 2dms h LYS 61 CO -0.25 0.32 -0.43 0.00 -2.06 0.00 0.00 179.45 177.03 2dms h ARG 63 N -0.82 0.00 -0.62 0.00 0.11 -1.35 -2.65 114.38 109.05 2dms h ARG 63 Ca -0.05 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 59.97 2dms h ARG 63 Cb 0.73 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.78 2dms h ARG 63 CO -0.08 0.10 0.14 0.37 0.10 0.00 0.00 179.97 180.59 2dms h GLN 64 N 0.00 0.98 -6.37 0.08 5.75 -0.45 -3.42 115.11 111.68 2dms h GLN 64 Ca -0.00 -0.23 -0.54 0.00 -0.15 0.00 0.00 58.65 57.73 2dms h GLN 64 Cb 0.40 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 28.78 2dms h GLN 64 CO 0.01 0.88 0.17 -1.14 -2.65 0.00 0.00 178.83 176.11 2dms s GLN 65 N -5.23 4.52 -0.04 1.69 0.74 -0.65 -5.06 119.66 115.63 2dms s GLN 65 Ca -0.11 1.10 -0.01 0.00 0.05 0.00 0.00 55.36 56.39 2dms s GLN 65 Cb 0.15 -3.34 -0.04 0.00 1.10 0.00 0.00 33.01 30.89 2dms s GLN 65 CO 0.83 0.36 0.04 -1.14 -0.55 0.00 0.00 175.29 174.82 2dms s GLN 66 N -0.35 2.99 0.09 1.67 0.74 -1.26 -4.96 119.66 118.58 2dms s GLN 66 Ca 0.38 -0.46 -0.35 0.00 0.05 0.00 0.00 55.36 54.98 2dms s GLN 66 Cb -0.21 -2.81 -0.18 0.00 1.10 0.00 0.00 33.01 30.91 2dms s GLN 66 CO 0.24 0.67 0.98 0.94 -0.55 0.00 0.00 175.29 177.57 2dms n GLN 67 N 1.66 0.33 -2.74 1.67 7.27 -1.26 -4.91 117.38 119.40 2dms n GLN 67 Ca -0.16 0.12 -0.32 0.00 0.07 0.00 0.00 57.00 56.70 2dms n GLN 67 Cb 0.53 -1.51 -0.06 0.00 2.41 0.00 0.00 30.24 31.62 2dms n GLN 67 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 2dms s GLN 68 N -0.28 4.09 0.74 3.69 2.00 -1.26 -5.04 119.66 123.60 2dms s GLN 68 Ca 0.80 0.97 -0.13 0.00 -2.00 0.00 0.00 55.36 55.01 2dms s GLN 68 Cb -1.08 -2.21 0.04 0.00 0.80 0.00 0.00 33.01 30.56 2dms s GLN 68 CO 0.55 -0.08 1.11 -1.14 -0.50 0.00 0.00 175.29 175.24 2dms s GLN 69 N -3.46 2.33 0.09 1.67 2.00 -1.26 -4.93 119.66 116.10 2dms s GLN 69 Ca 0.59 1.35 -0.17 0.00 -2.00 0.00 0.00 55.36 55.13 2dms s GLN 69 Cb -0.09 -1.89 -0.04 0.00 0.80 0.00 0.00 33.01 31.78 2dms s GLN 69 CO 0.20 -1.61 1.19 1.04 -0.50 0.00 0.00 175.29 175.61 2dms n GLN 70 N -3.09 -0.24 -1.54 1.67 6.02 -1.26 -4.46 117.38 114.48 2dms n GLN 70 Ca 0.10 1.17 -0.60 0.00 -0.01 0.00 0.00 57.00 57.67 2dms n GLN 70 Cb 0.52 -1.74 -0.08 0.00 1.02 0.00 0.00 30.24 29.96 2dms n GLN 70 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 2dms n ASN 71 N -4.27 0.43 -3.48 1.08 0.23 -1.26 -4.70 115.26 103.30 2dms n ASN 71 Ca 0.01 1.13 -0.37 0.00 -0.53 0.00 0.00 54.58 54.82 2dms n ASN 71 Cb 0.14 -0.87 -0.02 0.00 -2.08 0.00 0.00 39.78 36.95 2dms n ASN 71 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2dms n GLY 72 N 2.35 -1.50 0.00 4.83 0.00 -1.26 -4.90 105.19 104.71 2dms n GLY 72 Ca 0.23 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 1.63 1.43 3.49 -0.02 0.00 -1.26 -5.03 105.19 105.43 2dms n GLY 73 Ca 0.13 -0.41 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 2dms n GLY 73 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dms s GLN 74 N 1.66 3.25 0.28 1.61 -0.21 -1.26 -4.98 119.66 120.01 2dms s GLN 74 Ca 0.00 -0.50 -0.19 0.00 0.02 0.00 0.00 55.36 54.69 2dms s GLN 74 Cb 0.00 -4.10 0.02 0.00 1.00 0.00 0.00 33.01 29.93 2dms s GLN 74 CO 0.00 -1.52 0.69 0.45 -2.12 0.00 0.00 175.29 172.79 2dms s SER 75 N 3.01 -0.21 0.00 5.90 0.15 -1.26 -4.51 113.70 116.79 2dms s SER 75 Ca 0.26 -0.70 0.00 0.00 0.70 0.00 0.00 55.95 56.21 2dms s SER 75 Cb -0.15 0.72 0.00 0.00 -1.71 0.00 0.00 66.02 64.88 2dms s SER 75 CO 0.16 -1.34 0.00 0.61 1.20 0.00 0.00 173.24 173.86 2dms n GLY 76 N -0.45 1.00 3.64 9.45 0.00 -1.26 -5.12 105.19 112.45 2dms n GLY 76 Ca -0.04 -0.57 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 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 1.11 3.99 -0.16 1.61 0.04 -1.26 -4.91 135.00 135.41 2dms s PRO 77 Ca 0.00 1.83 -0.17 0.00 0.04 0.00 0.00 61.00 62.70 2dms s PRO 77 Cb 0.00 -3.98 -0.13 0.00 0.04 0.00 0.00 34.50 30.43 2dms s PRO 77 CO 0.00 -1.06 0.17 0.77 0.04 0.00 0.00 177.00 176.93 2dms h SER 78 N 9.93 0.00 -0.77 6.66 0.02 -2.02 -3.37 113.55 123.99 2dms h SER 78 Ca -0.34 -0.38 0.13 0.00 -0.84 0.00 0.00 61.79 60.36 2dms h SER 78 Cb 1.15 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.56 2dms h SER 78 CO 0.98 1.07 -0.25 -1.54 -1.14 0.00 0.00 176.83 175.94 2dms n SER 79 N -4.56 -0.40 0.00 3.07 3.41 -1.26 -5.15 113.62 108.72 2dms n SER 79 Ca -0.17 1.34 0.00 0.00 -0.26 0.00 0.00 58.87 59.78 2dms n SER 79 Cb 0.44 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 2dms n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49