#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 -0.24 0.31 1.61 1.04 -1.26 -5.15 113.70 110.01 2dms s SER 2 Ca 0.00 0.05 0.03 0.00 0.48 0.00 0.00 55.95 56.51 2dms s SER 2 Cb 0.00 0.24 -0.04 0.00 0.10 0.00 0.00 66.02 66.32 2dms s SER 2 CO 0.00 -0.37 0.15 -0.44 0.98 0.00 0.00 173.24 173.57 2dms s SER 3 N -2.09 1.58 -0.82 7.02 0.01 -1.26 -5.04 113.70 113.10 2dms s SER 3 Ca 0.07 -1.55 -0.23 0.00 1.31 0.00 0.00 55.95 55.54 2dms s SER 3 Cb -0.01 0.37 -0.17 0.00 0.21 0.00 0.00 66.02 66.42 2dms s SER 3 CO -0.06 -0.87 1.90 0.61 0.41 0.00 0.00 173.24 175.23 2dms n GLY 4 N -0.59 1.77 3.28 3.44 0.00 -1.26 -4.81 105.19 107.03 2dms n GLY 4 Ca 0.01 -1.01 -0.09 0.00 0.00 0.00 0.00 46.02 44.92 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 5.78 0.01 -0.32 1.61 0.01 -1.26 -5.14 113.70 114.40 2dms s SER 5 Ca 0.63 -0.65 -0.01 0.00 1.31 0.00 0.00 55.95 57.23 2dms s SER 5 Cb 0.09 0.41 0.11 0.00 0.21 0.00 0.00 66.02 66.83 2dms s SER 5 CO 0.15 -0.82 0.12 -0.44 0.41 0.00 0.00 173.24 172.66 2dms s SER 6 N -2.88 3.90 0.11 2.44 0.01 -1.26 -4.94 113.70 111.07 2dms s SER 6 Ca 0.08 -1.72 0.00 0.00 1.31 0.00 0.00 55.95 55.62 2dms s SER 6 Cb 0.04 -0.81 0.00 0.00 0.21 0.00 0.00 66.02 65.46 2dms s SER 6 CO -0.07 -0.40 0.00 0.61 0.41 0.00 0.00 173.24 173.79 2dms n GLY 7 N 4.73 -0.09 0.19 3.44 0.00 -1.26 -4.98 105.19 107.22 2dms n GLY 7 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 2dms n GLY 7 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2dms n ARG 8 N -3.19 0.26 -4.24 1.61 1.85 -1.26 -5.01 116.66 106.67 2dms n ARG 8 Ca 0.00 0.07 -0.35 0.00 -1.00 0.00 0.00 57.85 56.57 2dms n ARG 8 Cb 0.12 -1.14 -0.04 0.00 -1.05 0.00 0.00 32.46 30.35 2dms n ARG 8 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2dms n ARG 9 N -2.97 -2.61 -0.02 2.89 5.12 -1.26 -4.84 116.66 112.97 2dms n ARG 9 Ca -0.20 0.32 -0.16 0.00 -1.93 0.00 0.00 57.85 55.88 2dms n ARG 9 Cb 0.69 -4.82 -0.09 0.00 -1.16 0.00 0.00 32.46 27.08 2dms n ARG 9 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 2dms h GLU 10 N -1.48 0.46 -7.11 5.56 4.22 -2.02 -3.45 114.58 110.76 2dms h GLU 10 Ca -0.60 -0.41 -0.46 0.00 0.08 0.00 0.00 59.36 57.97 2dms h GLU 10 Cb 1.38 0.09 0.01 0.00 0.50 0.00 0.00 28.75 30.74 2dms h GLU 10 CO 0.77 1.05 0.36 1.03 -2.18 0.00 0.00 179.01 180.04 2dms s ARG 11 N -3.53 3.94 0.28 1.92 1.81 -1.26 -5.07 118.95 117.04 2dms s ARG 11 Ca -0.13 1.16 0.09 0.00 -1.72 0.00 0.00 55.73 55.13 2dms s ARG 11 Cb 0.05 -2.13 -0.04 0.00 -0.45 0.00 0.00 34.95 32.38 2dms s ARG 11 CO 0.82 -0.28 0.10 -0.08 -0.68 0.00 0.00 175.30 175.17 2dms s THR 12 N -2.25 3.59 0.01 0.02 -1.32 -1.26 -5.05 115.64 109.38 2dms s THR 12 Ca 0.63 -1.71 -0.21 0.00 -1.21 0.00 0.00 61.69 59.19 2dms s THR 12 Cb -0.12 -3.03 -0.19 0.00 -1.51 0.00 0.00 72.50 67.65 2dms s THR 12 CO 0.22 -0.31 1.20 0.74 -2.21 0.00 0.00 174.62 174.25 2dms h THR 13 N 1.67 1.42 -3.26 5.08 2.02 -2.00 -3.43 112.91 114.41 2dms h THR 13 Ca -0.45 -1.71 -0.66 0.00 0.77 0.00 0.00 66.41 64.36 2dms h THR 13 Cb 1.25 2.29 -0.31 0.00 -1.74 0.00 0.00 68.15 69.65 2dms h THR 13 CO 0.61 0.49 -0.80 -0.36 0.37 0.00 0.00 175.52 175.84 2dms s PHE 14 N -3.69 2.82 0.50 3.16 0.08 -1.26 -5.11 117.98 114.48 2dms s PHE 14 Ca -0.14 -1.11 -0.01 0.00 0.12 0.00 0.00 56.93 55.79 2dms s PHE 14 Cb 0.04 -1.93 0.01 0.00 -0.57 0.00 0.00 43.02 40.56 2dms s PHE 14 CO 0.78 -0.54 0.74 -0.08 -0.10 0.00 0.00 175.22 176.02 2dms s THR 15 N 1.01 3.70 0.24 0.64 -1.32 -1.26 -4.87 115.64 113.77 2dms s THR 15 Ca -0.02 -0.40 -0.05 0.00 -1.21 0.00 0.00 61.69 60.01 2dms s THR 15 Cb -0.15 -3.40 0.21 0.00 -1.51 0.00 0.00 72.50 67.66 2dms s THR 15 CO -0.03 -0.31 1.71 0.03 -2.21 0.00 0.00 174.62 173.81 2dms h ARG 16 N 0.20 0.34 0.21 7.08 2.47 -2.00 0.20 114.38 122.89 2dms h ARG 16 Ca -0.45 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.24 2dms h ARG 16 Cb 1.26 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.51 2dms h ARG 16 CO 0.57 0.23 -0.10 0.00 0.56 0.00 0.00 179.97 181.23 2dms h ALA 17 N 1.56 -0.28 -0.69 0.04 0.00 -1.99 0.26 119.26 118.15 2dms h ALA 17 Ca 0.40 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.25 2dms h ALA 17 Cb 0.63 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 2dms h ALA 17 CO -0.44 -0.59 0.46 1.96 0.00 0.00 0.00 179.25 180.64 2dms h GLN 18 N -0.42 0.70 -0.01 0.00 4.20 -1.65 -1.74 115.11 116.19 2dms h GLN 18 Ca -0.03 -0.04 -0.23 0.00 0.06 0.00 0.00 58.65 58.41 2dms h GLN 18 Cb 0.32 -0.16 0.01 0.00 0.30 0.00 0.00 27.48 27.95 2dms h GLN 18 CO 0.05 0.46 -0.95 -0.07 -0.67 0.00 0.00 178.83 177.65 2dms h LEU 19 N 0.72 0.62 -1.11 1.46 3.38 -0.40 -2.23 115.31 117.75 2dms h LEU 19 Ca 0.30 -0.49 0.12 0.00 0.09 0.00 0.00 57.88 57.90 2dms h LEU 19 Cb 0.24 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 40.73 2dms h LEU 19 CO -0.09 1.28 0.61 0.44 0.09 0.00 0.00 178.44 180.77 2dms h ASP 20 N 0.28 0.84 0.00 -0.43 5.19 0.43 -0.81 116.42 121.91 2dms h ASP 20 Ca -0.09 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 2dms h ASP 20 Cb 1.58 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.96 2dms h ASP 20 CO 0.17 0.45 -0.09 0.58 -3.12 0.00 0.00 179.24 177.23 2dms h VAL 21 N 0.90 0.00 -0.97 -1.35 2.07 -1.51 -2.90 116.25 112.49 2dms h VAL 21 Ca 0.47 -0.92 0.18 0.00 0.82 0.00 0.00 66.70 67.25 2dms h VAL 21 Cb 0.53 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.12 2dms h VAL 21 CO -0.23 0.00 -0.29 -0.07 0.02 0.00 0.00 177.57 177.00 2dms h LEU 22 N -0.92 -1.06 0.22 2.57 3.38 -1.35 0.15 115.31 118.29 2dms h LEU 22 Ca 0.00 0.30 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 2dms h LEU 22 Cb 0.09 0.65 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2dms h LEU 22 CO 0.00 -0.31 -0.10 -0.33 0.09 0.00 0.00 178.44 177.78 2dms h GLU 23 N -0.00 -0.28 -0.97 1.13 5.08 -1.31 -1.18 114.58 117.05 2dms h GLU 23 Ca 0.43 0.02 0.26 0.00 -1.00 0.00 0.00 59.36 59.07 2dms h GLU 23 Cb 0.68 0.06 -0.13 0.00 0.50 0.00 0.00 28.75 29.86 2dms h GLU 23 CO -0.99 -0.07 0.51 0.00 -1.00 0.00 0.00 179.01 177.46 2dms h ALA 24 N 0.29 1.71 0.00 3.43 0.00 -0.59 0.94 119.26 125.04 2dms h ALA 24 Ca -0.03 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2dms h ALA 24 Cb 0.34 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2dms h ALA 24 CO 0.05 -0.38 -0.21 1.25 0.00 0.00 0.00 179.25 179.96 2dms h LEU 25 N 0.44 0.00 0.00 0.00 5.85 -0.76 -3.08 115.31 117.76 2dms h LEU 25 Ca 0.64 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.36 2dms h LEU 25 Cb 1.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.32 2dms h LEU 25 CO -0.54 0.21 -0.23 0.15 -0.34 0.00 0.00 178.44 177.70 2dms h PHE 26 N 0.00 0.00 0.00 1.25 3.57 0.20 -2.04 116.94 119.93 2dms h PHE 26 Ca -0.00 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.39 2dms h PHE 26 Cb 1.06 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.78 2dms h PHE 26 CO 0.00 0.00 -0.91 0.00 -2.23 0.00 0.00 178.31 175.17 2dms h ALA 27 N 2.05 0.66 0.03 2.41 0.00 -0.61 -3.36 119.26 120.43 2dms h ALA 27 Ca 0.00 -0.53 -0.31 0.00 0.00 0.00 0.00 54.91 54.07 2dms h ALA 27 Cb 0.97 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 2dms h ALA 27 CO 0.00 0.63 -1.70 0.36 0.00 0.00 0.00 179.25 178.55 2dms n LYS 28 N -3.01 0.61 -3.75 0.00 2.85 -1.19 -4.89 118.16 108.79 2dms n LYS 28 Ca -0.03 0.44 -0.27 0.00 -1.05 0.00 0.00 58.31 57.40 2dms n LYS 28 Cb 0.74 -1.68 -0.17 0.00 -0.65 0.00 0.00 35.03 33.27 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 -2.44 0.54 0.35 0.58 -1.32 -0.77 -5.00 115.64 107.59 2dms s THR 29 Ca -0.30 -0.45 0.10 0.00 -1.21 0.00 0.00 61.69 59.84 2dms s THR 29 Cb 0.08 -0.96 0.09 0.00 -1.51 0.00 0.00 72.50 70.19 2dms s THR 29 CO 0.61 -0.10 1.80 0.03 -2.21 0.00 0.00 174.62 174.75 2dms h ARG 30 N 8.25 0.13 -3.00 7.08 2.47 -1.79 -3.35 114.38 124.16 2dms h ARG 30 Ca -0.17 -0.05 -0.62 0.00 -1.26 0.00 0.00 59.98 57.88 2dms h ARG 30 Cb 1.12 -0.01 -0.41 0.00 -1.65 0.00 0.00 29.97 29.02 2dms h ARG 30 CO 0.33 0.45 -0.63 0.71 0.56 0.00 0.00 179.97 181.39 2dms s TYR 31 N -4.28 3.22 0.86 3.04 1.51 -1.26 -4.99 117.35 115.45 2dms s TYR 31 Ca -0.04 -3.19 -0.11 0.00 -1.01 0.00 0.00 57.07 52.72 2dms s TYR 31 Cb 0.14 -2.47 0.11 0.00 -0.11 0.00 0.00 41.96 39.63 2dms s TYR 31 CO 0.74 -0.59 1.09 -1.25 -1.11 0.00 0.00 175.55 174.43 2dms s PRO 32 N -1.19 1.53 0.54 -1.71 0.04 -1.26 -5.07 135.00 127.89 2dms s PRO 32 Ca 0.25 0.91 0.08 0.00 0.04 0.00 0.00 61.00 62.29 2dms s PRO 32 Cb -0.05 -1.83 0.07 0.00 0.04 0.00 0.00 34.50 32.73 2dms s PRO 32 CO -0.16 -2.08 0.75 -0.51 0.04 0.00 0.00 177.00 175.04 2dms s ASP 33 N -3.42 5.20 0.31 6.66 1.11 -1.26 -4.87 116.67 120.40 2dms s ASP 33 Ca 0.63 -0.68 0.05 0.00 0.18 0.00 0.00 52.55 52.72 2dms s ASP 33 Cb -0.18 0.00 0.67 0.00 1.07 0.00 0.00 42.92 44.48 2dms s ASP 33 CO 0.57 -1.23 1.84 -0.29 1.18 0.00 0.00 175.17 177.24 2dms h ILE 34 N 0.24 0.86 -0.55 0.77 6.09 -1.99 0.06 117.51 122.99 2dms h ILE 34 Ca -0.33 -0.30 -0.03 0.00 -1.37 0.00 0.00 64.86 62.84 2dms h ILE 34 Cb 1.29 -0.08 -0.02 0.00 0.47 0.00 0.00 36.82 38.47 2dms h ILE 34 CO 0.42 0.16 0.24 -0.26 -3.07 0.00 0.00 178.15 175.64 2dms h PHE 35 N 0.86 0.81 0.15 2.19 0.04 -1.99 -0.11 116.94 118.90 2dms h PHE 35 Ca 0.50 -0.05 -0.01 0.00 2.80 0.00 0.00 57.97 61.21 2dms h PHE 35 Cb 0.63 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.54 2dms h PHE 35 CO -0.00 0.65 -0.07 0.52 -0.60 0.00 0.00 178.31 178.81 2dms h MET 36 N 0.74 -0.19 -0.41 1.51 2.86 -1.57 -2.01 114.93 115.86 2dms h MET 36 Ca 0.19 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.89 2dms h MET 36 Cb 0.16 0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.82 2dms h MET 36 CO -0.02 0.13 0.13 0.00 1.06 0.00 0.00 176.91 178.22 2dms h ARG 37 N -0.53 0.28 -0.04 1.72 3.08 -1.00 -2.23 114.38 115.66 2dms h ARG 37 Ca -0.02 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.04 2dms h ARG 37 Cb 0.41 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 2dms h ARG 37 CO 0.03 0.18 -0.10 0.93 -1.07 0.00 0.00 179.97 179.95 2dms h GLU 38 N 0.29 -0.15 0.01 0.04 5.08 -1.02 -0.60 114.58 118.24 2dms h GLU 38 Ca 0.19 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2dms h GLU 38 Cb 0.19 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2dms h GLU 38 CO -0.21 -0.10 -0.15 1.49 -1.00 0.00 0.00 179.01 179.04 2dms h GLU 39 N -0.15 -0.19 -0.14 2.33 4.81 -0.96 0.30 114.58 120.58 2dms h GLU 39 Ca 0.05 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.32 2dms h GLU 39 Cb 0.22 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.58 2dms h GLU 39 CO -0.13 -0.13 -0.49 0.28 -0.73 0.00 0.00 179.01 177.81 2dms h VAL 40 N -0.20 0.00 -1.34 0.32 2.07 -1.39 0.45 116.25 116.16 2dms h VAL 40 Ca 0.00 0.00 0.39 0.00 0.82 0.00 0.00 66.70 67.91 2dms h VAL 40 Cb 0.21 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.91 2dms h VAL 40 CO -0.09 0.00 0.94 0.00 0.02 0.00 0.00 177.57 178.44 2dms h ALA 41 N -0.40 3.09 0.00 1.67 0.00 -1.00 1.36 119.26 123.98 2dms h ALA 41 Ca 0.03 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 2dms h ALA 41 Cb 0.61 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 2dms h ALA 41 CO -0.40 -1.53 -1.09 -0.07 0.00 0.00 0.00 179.25 176.16 2dms h LEU 42 N 0.07 0.00 0.00 0.00 3.38 0.15 0.37 115.31 119.28 2dms h LEU 42 Ca 0.68 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.65 2dms h LEU 42 Cb 2.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.25 2dms h LEU 42 CO -0.11 0.65 -0.10 0.50 0.09 0.00 0.00 178.44 179.48 2dms h LYS 43 N 0.00 0.00 0.00 1.13 3.64 0.58 -3.33 116.57 118.60 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 1.59 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.41 2dms h LYS 43 CO 0.07 0.00 0.00 0.44 -2.27 0.00 0.00 179.45 177.69 2dms n ILE 44 N -3.99 1.82 -2.55 2.00 -5.35 0.14 -4.82 119.36 106.61 2dms n ILE 44 Ca -0.01 0.54 -0.06 0.00 -0.27 0.00 0.00 62.75 62.94 2dms n ILE 44 Cb 0.05 -1.54 0.03 0.00 -1.74 0.00 0.00 39.64 36.44 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 -1.63 -2.16 -4.16 7.28 2.85 -1.18 -4.74 115.26 111.52 2dms n ASN 45 Ca -0.00 -0.22 -0.12 0.00 -0.11 0.00 0.00 54.58 54.13 2dms n ASN 45 Cb 0.01 -2.16 -0.10 0.00 1.24 0.00 0.00 39.78 38.77 2dms n ASN 45 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2dms s LEU 46 N -3.54 2.44 0.02 1.20 1.43 0.13 -5.02 118.68 115.34 2dms s LEU 46 Ca 0.02 -0.88 -0.30 0.00 -1.03 0.00 0.00 54.13 51.93 2dms s LEU 46 Cb -0.01 -0.17 -0.06 0.00 0.03 0.00 0.00 46.19 45.98 2dms s LEU 46 CO 0.26 -0.36 1.44 -2.16 0.23 0.00 0.00 176.35 175.76 2dms s PRO 47 N -3.19 4.27 0.62 1.29 0.04 -1.26 -4.15 135.00 132.62 2dms s PRO 47 Ca 0.07 2.02 0.23 0.00 0.04 0.00 0.00 61.00 63.37 2dms s PRO 47 Cb 0.00 -3.56 0.91 0.00 0.04 0.00 0.00 34.50 31.90 2dms s PRO 47 CO -0.02 -0.59 1.38 0.93 0.04 0.00 0.00 177.00 178.74 2dms h GLU 48 N 7.85 0.00 -0.28 4.56 3.07 -1.88 1.17 114.58 129.07 2dms h GLU 48 Ca -0.39 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.33 2dms h GLU 48 Cb 1.18 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.09 2dms h GLU 48 CO 0.90 0.00 -0.39 1.03 -1.40 0.00 0.00 179.01 179.15 2dms h SER 49 N 0.00 0.82 -0.39 1.42 0.87 -1.97 -3.01 113.55 111.31 2dms h SER 49 Ca 0.35 -0.51 -0.03 0.00 -1.23 0.00 0.00 61.79 60.37 2dms h SER 49 Cb 2.41 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 64.12 2dms h SER 49 CO -0.00 1.17 0.12 0.03 -0.53 0.00 0.00 176.83 177.62 2dms h ARG 50 N 0.50 0.60 0.29 2.24 2.47 0.10 -2.93 114.38 117.65 2dms h ARG 50 Ca 0.03 -0.13 0.00 0.00 -1.26 0.00 0.00 59.98 58.62 2dms h ARG 50 Cb 0.98 -0.09 -0.04 0.00 -1.65 0.00 0.00 29.97 29.18 2dms h ARG 50 CO 0.09 0.61 -0.52 0.28 0.56 0.00 0.00 179.97 180.99 2dms h VAL 51 N 0.48 0.00 -0.66 2.04 2.07 -1.53 0.18 116.25 118.84 2dms h VAL 51 Ca 0.12 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.76 2dms h VAL 51 Cb 0.26 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.90 2dms h VAL 51 CO -0.00 0.00 -0.29 -0.61 0.02 0.00 0.00 177.57 176.68 2dms h GLN 52 N -0.87 -0.10 0.57 1.57 4.15 -1.53 -1.62 115.11 117.28 2dms h GLN 52 Ca -0.03 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 2dms h GLN 52 Cb 0.81 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.52 2dms h GLN 52 CO -0.19 -0.07 -0.33 0.28 -1.93 0.00 0.00 178.83 176.59 2dms h VAL 53 N -0.10 0.32 -0.98 2.39 2.07 -1.28 -2.50 116.25 116.17 2dms h VAL 53 Ca 0.27 0.00 0.41 0.00 0.82 0.00 0.00 66.70 68.21 2dms h VAL 53 Cb 0.55 0.32 -0.18 0.00 -1.52 0.00 0.00 31.29 30.47 2dms h VAL 53 CO -0.72 0.00 0.53 1.87 0.02 0.00 0.00 177.57 179.27 2dms n TRP 54 N -5.47 1.15 0.13 1.57 -0.00 0.61 -0.61 117.44 114.81 2dms n TRP 54 Ca -0.12 1.16 -0.05 0.00 -0.00 0.00 0.00 57.50 58.49 2dms n TRP 54 Cb 0.36 -1.56 -0.03 0.00 -0.00 0.00 0.00 31.31 30.09 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 -0.32 -0.61 5.87 -1.00 -0.95 0.13 116.94 120.06 2dms h PHE 55 Ca 0.83 -0.01 0.11 0.00 2.81 0.00 0.00 57.97 61.72 2dms h PHE 55 Cb 2.20 0.11 -0.12 0.00 3.61 0.00 0.00 35.95 41.75 2dms h PHE 55 CO -0.02 -0.20 -0.29 0.87 -1.61 0.00 0.00 178.31 177.06 2dms h LYS 56 N -0.45 -0.12 0.70 1.51 1.57 -0.87 -0.18 116.57 118.73 2dms h LYS 56 Ca -0.04 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 2dms h LYS 56 Cb 0.27 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 2dms h LYS 56 CO 0.06 -0.08 -0.48 -0.91 -0.57 0.00 0.00 179.45 177.47 2dms h ASN 57 N -0.12 -1.23 -0.71 0.86 4.21 -0.94 -2.98 115.58 114.66 2dms h ASN 57 Ca 0.26 0.08 0.09 0.00 1.21 0.00 0.00 56.30 57.93 2dms h ASN 57 Cb 0.54 0.37 -0.11 0.00 -1.12 0.00 0.00 38.32 38.00 2dms h ASN 57 CO -0.68 -0.71 -0.51 -0.09 -1.29 0.00 0.00 177.43 174.15 2dms h ARG 58 N -1.12 -0.17 -0.95 0.81 9.65 -0.32 -0.41 114.38 121.87 2dms h ARG 58 Ca -0.09 0.01 0.14 0.00 -1.10 0.00 0.00 59.98 58.93 2dms h ARG 58 Cb 0.91 0.04 -0.15 0.00 -1.39 0.00 0.00 29.97 29.38 2dms h ARG 58 CO 0.06 -0.11 -0.41 0.54 2.80 0.00 0.00 179.97 182.85 2dms n ARG 59 N -5.36 -0.26 -0.29 0.20 1.74 -0.14 0.54 116.66 113.09 2dms n ARG 59 Ca 0.01 1.46 0.08 0.00 -0.77 0.00 0.00 57.85 58.64 2dms n ARG 59 Cb 0.33 -2.17 0.20 0.00 -1.02 0.00 0.00 32.46 29.79 2dms n ARG 59 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dms h ALA 60 N 1.15 0.89 -0.01 7.54 0.00 -0.92 -0.25 119.26 127.67 2dms h ALA 60 Ca 0.30 0.29 0.03 0.00 0.00 0.00 0.00 54.91 55.52 2dms h ALA 60 Cb 0.54 0.51 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 2dms h ALA 60 CO -0.94 -0.46 -0.44 -0.22 0.00 0.00 0.00 179.25 177.19 2dms h LYS 61 N 0.07 -0.57 -0.23 0.00 3.64 0.19 -2.34 116.57 117.33 2dms h LYS 61 Ca 0.48 0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.95 2dms h LYS 61 Cb 0.88 0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.77 2dms h LYS 61 CO -0.78 -0.38 -0.16 0.00 -2.27 0.00 0.00 179.45 175.86 2dms h ARG 63 N -0.16 0.05 0.19 0.00 3.08 -0.76 0.15 114.38 116.93 2dms h ARG 63 Ca 0.13 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 2dms h ARG 63 Cb 0.35 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.39 2dms h ARG 63 CO -0.32 0.03 -0.09 0.37 -1.07 0.00 0.00 179.97 178.89 2dms h GLN 64 N 0.05 -0.25 -7.18 0.04 5.75 -0.87 -3.44 115.11 109.21 2dms h GLN 64 Ca 0.54 0.02 -0.53 0.00 -0.15 0.00 0.00 58.65 58.52 2dms h GLN 64 Cb 1.05 0.06 0.16 0.00 1.07 0.00 0.00 27.48 29.81 2dms h GLN 64 CO -0.84 -0.14 0.39 -0.65 -2.65 0.00 0.00 178.83 174.94 2dms s GLN 65 N -6.03 2.14 -0.33 1.69 -0.21 0.52 -4.85 119.66 112.59 2dms s GLN 65 Ca -0.14 1.76 -0.27 0.00 0.02 0.00 0.00 55.36 56.72 2dms s GLN 65 Cb 0.05 -1.83 -0.05 0.00 1.00 0.00 0.00 33.01 32.18 2dms s GLN 65 CO 0.65 -1.83 2.18 -1.14 -2.12 0.00 0.00 175.29 173.02 2dms s GLN 66 N -3.91 2.86 0.88 2.91 0.74 -1.26 -4.93 119.66 116.95 2dms s GLN 66 Ca 0.74 1.68 -0.11 0.00 0.05 0.00 0.00 55.36 57.72 2dms s GLN 66 Cb -0.29 -4.40 0.12 0.00 1.10 0.00 0.00 33.01 29.54 2dms s GLN 66 CO 0.45 -2.42 1.10 1.14 -0.55 0.00 0.00 175.29 175.01 2dms s GLN 67 N 6.79 1.34 0.48 1.67 -2.07 -1.26 -5.06 119.66 121.54 2dms s GLN 67 Ca 0.94 1.08 0.07 0.00 -1.82 0.00 0.00 55.36 55.63 2dms s GLN 67 Cb -0.26 -1.80 0.01 0.00 -1.09 0.00 0.00 33.01 29.87 2dms s GLN 67 CO 0.32 -2.26 0.39 -0.65 -1.32 0.00 0.00 175.29 171.77 2dms s GLN 68 N -4.83 2.36 0.27 9.60 -1.52 -1.26 -5.07 119.66 119.21 2dms s GLN 68 Ca 0.64 -1.79 -0.30 0.00 -1.95 0.00 0.00 55.36 51.95 2dms s GLN 68 Cb -0.19 -2.22 -0.13 0.00 -0.22 0.00 0.00 33.01 30.25 2dms s GLN 68 CO 0.58 -0.41 1.45 1.04 -0.25 0.00 0.00 175.29 177.69 2dms n GLN 69 N -1.65 2.23 -2.78 2.91 6.02 -1.26 -4.96 117.38 117.90 2dms n GLN 69 Ca 0.01 0.79 -0.34 0.00 -0.01 0.00 0.00 57.00 57.46 2dms n GLN 69 Cb 0.63 -2.48 -0.06 0.00 1.02 0.00 0.00 30.24 29.35 2dms n GLN 69 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2dms s GLN 70 N -0.61 4.25 0.10 -1.09 -0.21 -1.26 -5.05 119.66 115.79 2dms s GLN 70 Ca 0.65 1.19 -0.15 0.00 0.02 0.00 0.00 55.36 57.07 2dms s GLN 70 Cb -0.60 -2.29 -0.07 0.00 1.00 0.00 0.00 33.01 31.06 2dms s GLN 70 CO 0.51 -0.02 0.52 0.54 -2.12 0.00 0.00 175.29 174.72 2dms s ASN 71 N -2.05 6.86 0.33 5.90 4.22 -1.26 -5.08 114.94 123.85 2dms s ASN 71 Ca 0.60 1.08 -0.05 0.00 -2.14 0.00 0.00 52.86 52.35 2dms s ASN 71 Cb -0.12 -2.29 -0.05 0.00 1.28 0.00 0.00 41.25 40.07 2dms s ASN 71 CO 0.16 0.18 0.60 -0.83 -2.04 0.00 0.00 177.10 175.17 2dms s GLY 72 N -1.50 1.79 -0.24 0.45 0.00 -1.26 -5.09 107.32 101.48 2dms s GLY 72 Ca 0.33 -0.53 -0.30 0.00 0.00 0.00 0.00 44.72 44.22 2dms s GLY 72 CO 0.18 -0.42 1.24 -0.32 0.00 0.00 0.00 173.10 173.78 2dms s GLY 73 N -3.31 -0.06 0.20 0.20 0.00 -1.26 -5.19 107.32 97.89 2dms s GLY 73 Ca 0.45 2.44 -0.22 0.00 0.00 0.00 0.00 44.72 47.39 2dms s GLY 73 CO 0.32 1.01 0.99 -0.86 0.00 0.00 0.00 173.10 174.56 2dms s GLN 74 N -1.23 1.37 0.14 2.90 -2.07 -1.26 -5.19 119.66 114.32 2dms s GLN 74 Ca 0.06 -0.85 -0.06 0.00 -1.82 0.00 0.00 55.36 52.69 2dms s GLN 74 Cb -0.01 0.41 -0.02 0.00 -1.09 0.00 0.00 33.01 32.30 2dms s GLN 74 CO -0.05 -0.64 0.19 -1.12 -1.32 0.00 0.00 175.29 172.35 2dms s SER 75 N -3.23 0.16 -0.45 12.60 0.01 -1.26 -5.13 113.70 116.40 2dms s SER 75 Ca 0.18 -0.95 0.04 0.00 1.31 0.00 0.00 55.95 56.53 2dms s SER 75 Cb -0.02 0.37 0.19 0.00 0.21 0.00 0.00 66.02 66.76 2dms s SER 75 CO 0.05 -0.81 0.78 -0.83 0.41 0.00 0.00 173.24 172.85 2dms s GLY 76 N -2.97 -1.38 0.83 3.44 0.00 -1.26 -5.16 107.32 100.81 2dms s GLY 76 Ca 0.17 0.03 -0.14 0.00 0.00 0.00 0.00 44.72 44.78 2dms s GLY 76 CO -0.02 3.81 0.74 -1.55 0.00 0.00 0.00 173.10 176.08 2dms n PRO 77 N 3.34 -2.47 -4.67 2.90 -0.04 -1.26 -5.10 135.00 127.71 2dms n PRO 77 Ca 0.14 -1.18 -0.30 0.00 -0.04 0.00 0.00 63.50 62.12 2dms n PRO 77 Cb 0.58 -1.11 -0.08 0.00 -0.04 0.00 0.00 33.50 32.85 2dms n PRO 77 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dms s SER 78 N -3.50 3.64 0.32 3.54 1.04 -1.26 -5.17 113.70 112.32 2dms s SER 78 Ca 0.48 -1.65 0.02 0.00 0.48 0.00 0.00 55.95 55.27 2dms s SER 78 Cb -0.05 0.49 -0.01 0.00 0.10 0.00 0.00 66.02 66.56 2dms s SER 78 CO 0.37 -0.87 0.38 -1.54 0.98 0.00 0.00 173.24 172.56 2dms n SER 79 N -1.27 -1.03 0.00 7.02 3.41 -1.26 -5.37 113.62 115.12 2dms n SER 79 Ca -0.14 -2.87 0.00 0.00 -0.26 0.00 0.00 58.87 55.60 2dms n SER 79 Cb 0.66 2.06 0.00 0.00 -0.26 0.00 0.00 64.21 66.67 2dms n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49