#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d3k s PHE 5 N 0.00 3.29 -0.40 2.03 0.40 -1.26 -4.93 117.98 117.12 2d3k s PHE 5 Ca 0.00 0.96 0.25 0.00 -0.60 0.00 0.00 56.93 57.55 2d3k s PHE 5 Cb 0.00 -2.94 0.61 0.00 0.51 0.00 0.00 43.02 41.20 2d3k s PHE 5 CO 0.00 -0.36 1.70 0.87 0.70 0.00 0.00 175.22 178.13 2d3k h LYS 6 N 7.80 0.00 -5.89 0.44 1.57 -1.98 -3.44 116.57 115.07 2d3k h LYS 6 Ca -0.25 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.02 2d3k h LYS 6 Cb 1.11 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.21 2d3k h LYS 6 CO 0.82 0.00 -0.80 0.71 -0.57 0.00 0.00 179.45 179.61 2d3k s TYR 7 N -3.27 1.64 0.10 -1.35 2.02 -1.26 -0.59 117.35 114.63 2d3k s TYR 7 Ca 0.06 -0.45 -0.26 0.00 -0.37 0.00 0.00 57.07 56.06 2d3k s TYR 7 Cb 0.07 -0.88 0.08 0.00 -0.40 0.00 0.00 41.96 40.82 2d3k s TYR 7 CO 0.63 0.19 0.82 -1.59 -1.57 0.00 0.00 175.55 174.02 2d3k s LYS 8 N -2.08 1.11 -0.11 -0.62 -2.85 -0.99 -4.50 119.74 109.70 2d3k s LYS 8 Ca 0.06 -0.49 0.01 0.00 -1.00 0.00 0.00 55.97 54.55 2d3k s LYS 8 Cb -0.09 0.46 0.02 0.00 -2.06 0.00 0.00 37.83 36.16 2d3k s LYS 8 CO 0.04 -0.50 -0.11 -1.14 0.10 0.00 0.00 175.35 173.74 2d3k s GLN 9 N -3.39 1.83 -0.19 1.78 0.74 -0.41 -2.73 119.66 117.30 2d3k s GLN 9 Ca 0.06 -0.40 -0.05 0.00 0.05 0.00 0.00 55.36 55.03 2d3k s GLN 9 Cb -0.02 -1.70 -0.03 0.00 1.10 0.00 0.00 33.01 32.37 2d3k s GLN 9 CO -0.06 -0.16 -0.01 0.08 -0.55 0.00 0.00 175.29 174.60 2d3k s VAL 10 N 1.31 3.99 -0.24 1.34 1.01 -0.09 -1.64 120.40 126.08 2d3k s VAL 10 Ca -0.01 -0.31 -0.07 0.00 0.00 0.00 0.00 61.98 61.59 2d3k s VAL 10 Cb -0.14 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 2d3k s VAL 10 CO -0.05 0.45 0.05 -0.63 0.00 0.00 0.00 175.10 174.92 2d3k s ILE 11 N 0.79 4.18 -0.31 2.22 1.09 -0.26 0.06 121.20 128.97 2d3k s ILE 11 Ca 0.00 -0.22 -0.17 0.00 -1.10 0.00 0.00 60.65 59.17 2d3k s ILE 11 Cb -0.14 -2.94 -0.02 0.00 -1.06 0.00 0.00 42.46 38.29 2d3k s ILE 11 CO 0.02 0.36 0.45 -0.69 -0.10 0.00 0.00 174.94 174.98 2d3k s VAL 12 N 1.52 5.10 -0.07 2.92 1.01 0.20 -1.39 120.40 129.69 2d3k s VAL 12 Ca 0.06 0.48 0.01 0.00 0.00 0.00 0.00 61.98 62.53 2d3k s VAL 12 Cb -0.15 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 2d3k s VAL 12 CO 0.03 -0.02 -0.07 0.00 0.00 0.00 0.00 175.10 175.03 2d3k s ALA 13 N 2.22 2.97 -0.56 5.51 0.00 0.02 -0.86 121.76 131.05 2d3k s ALA 13 Ca 0.17 -0.89 -0.28 0.00 0.00 0.00 0.00 51.96 50.95 2d3k s ALA 13 Cb -0.16 -1.22 0.03 0.00 0.00 0.00 0.00 23.12 21.77 2d3k s ALA 13 CO 0.11 0.57 1.19 1.03 0.00 0.00 0.00 175.76 178.66 2d3k s ARG 14 N -0.79 3.55 0.44 0.00 0.52 -0.91 -1.81 118.95 119.95 2d3k s ARG 14 Ca 0.12 0.31 0.24 0.00 -0.52 0.00 0.00 55.73 55.88 2d3k s ARG 14 Cb -0.11 -4.00 0.63 0.00 0.52 0.00 0.00 34.95 31.99 2d3k s ARG 14 CO 0.01 -1.63 1.71 0.00 0.02 0.00 0.00 175.30 175.41 2d3k h ALA 15 N 9.50 0.95 0.00 2.13 0.00 -1.62 -3.21 119.26 127.02 2d3k h ALA 15 Ca -0.25 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2d3k h ALA 15 Cb 1.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2d3k h ALA 15 CO 1.18 0.14 0.00 0.38 0.00 0.00 0.00 179.25 180.94 2d3k h ASP 16 N 0.00 0.00 1.43 0.00 2.03 -1.83 -1.73 116.42 116.31 2d3k h ASP 16 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2d3k h ASP 16 Cb 0.91 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.41 2d3k h ASP 16 CO 0.01 0.00 0.00 -0.07 -1.03 0.00 0.00 179.24 178.15 2d3k h LEU 17 N 0.00 0.00 -2.82 0.15 3.38 -1.92 -3.48 115.31 110.62 2d3k h LEU 17 Ca 0.00 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.55 2d3k h LEU 17 Cb 0.25 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.08 2d3k h LEU 17 CO 0.00 0.00 -0.91 0.29 0.09 0.00 0.00 178.44 177.91 2d3k n LYS 18 N -2.68 -2.00 -2.56 1.13 5.02 -0.65 -4.97 118.16 111.45 2d3k n LYS 18 Ca 0.04 0.51 -0.31 0.00 -2.02 0.00 0.00 58.31 56.53 2d3k n LYS 18 Cb 0.40 -4.45 -0.02 0.00 -0.02 0.00 0.00 35.03 30.94 2d3k n LYS 18 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2d3k s LEU 19 N -6.46 3.66 0.93 -0.35 1.43 -1.26 -5.05 118.68 111.58 2d3k s LEU 19 Ca 0.36 1.28 -0.11 0.00 -1.03 0.00 0.00 54.13 54.63 2d3k s LEU 19 Cb -0.12 -4.21 0.15 0.00 0.03 0.00 0.00 46.19 42.03 2d3k s LEU 19 CO 0.85 -0.54 1.09 -0.94 0.23 0.00 0.00 176.35 177.04 2d3k s SER 20 N -3.37 3.10 0.37 2.29 1.04 -1.26 -4.70 113.70 111.16 2d3k s SER 20 Ca 0.54 1.67 0.07 0.00 0.48 0.00 0.00 55.95 58.70 2d3k s SER 20 Cb -0.10 -2.31 0.77 0.00 0.10 0.00 0.00 66.02 64.48 2d3k s SER 20 CO 0.36 -2.90 1.96 0.50 0.98 0.00 0.00 173.24 174.13 2d3k h LYS 21 N -1.73 0.70 -0.04 4.02 3.64 -1.99 -0.68 116.57 120.49 2d3k h LYS 21 Ca -0.49 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 58.82 2d3k h LYS 21 Cb 1.28 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.94 2d3k h LYS 21 CO 0.51 0.46 -0.05 0.78 -2.27 0.00 0.00 179.45 178.88 2d3k h GLY 22 N 0.72 0.11 1.64 5.01 0.00 -2.00 -2.36 103.07 106.20 2d3k h GLY 22 Ca 0.31 -0.12 -0.10 0.00 0.00 0.00 0.00 47.33 47.42 2d3k h GLY 22 CO -0.11 0.11 -0.30 0.50 0.00 0.00 0.00 176.54 176.74 2d3k h LYS 23 N -0.38 0.41 -0.38 4.80 1.57 -1.86 -1.98 116.57 118.74 2d3k h LYS 23 Ca 0.00 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 2d3k h LYS 23 Cb 0.59 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 2d3k h LYS 23 CO 0.01 0.68 0.12 1.25 -0.57 0.00 0.00 179.45 180.94 2d3k h LEU 24 N 0.36 0.55 -0.94 2.94 5.85 -1.17 -1.16 115.31 121.74 2d3k h LEU 24 Ca 0.05 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.61 2d3k h LEU 24 Cb 0.71 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.54 2d3k h LEU 24 CO 0.05 0.61 0.61 0.00 -0.34 0.00 0.00 178.44 179.37 2d3k h ALA 25 N 0.97 1.26 -0.53 1.25 0.00 -1.11 0.18 119.26 121.28 2d3k h ALA 25 Ca 0.12 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2d3k h ALA 25 Cb 0.25 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2d3k h ALA 25 CO -0.00 0.44 0.16 0.00 0.00 0.00 0.00 179.25 179.85 2d3k h ALA 26 N 1.40 0.70 -0.53 0.00 0.00 -1.03 -0.33 119.26 119.47 2d3k h ALA 26 Ca 0.38 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 2d3k h ALA 26 Cb 0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2d3k h ALA 26 CO -0.14 0.36 0.19 1.96 0.00 0.00 0.00 179.25 181.62 2d3k h GLN 27 N 0.73 0.81 -0.88 0.00 1.08 -0.39 -0.56 115.11 115.90 2d3k h GLN 27 Ca 0.17 -0.16 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 2d3k h GLN 27 Cb 0.29 -0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 27.55 2d3k h GLN 27 CO -0.00 0.73 0.51 0.28 -0.95 0.00 0.00 178.83 179.39 2d3k h VAL 28 N 0.72 1.25 -0.84 -0.54 2.07 -0.80 -1.92 116.25 116.19 2d3k h VAL 28 Ca 0.17 -0.59 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 2d3k h VAL 28 Cb 0.24 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.01 2d3k h VAL 28 CO -0.01 0.27 0.41 0.00 0.02 0.00 0.00 177.57 178.27 2d3k h ALA 29 N 1.27 1.09 -0.11 1.67 0.00 -0.47 0.48 119.26 123.19 2d3k h ALA 29 Ca 0.31 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.09 2d3k h ALA 29 Cb -0.01 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 2d3k h ALA 29 CO -0.05 0.65 -0.05 0.45 0.00 0.00 0.00 179.25 180.24 2d3k h HIS 30 N 1.20 -0.12 -0.39 0.00 -0.00 -0.49 -0.53 115.15 114.82 2d3k h HIS 30 Ca 0.29 0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.70 2d3k h HIS 30 Cb 0.11 0.07 -0.03 0.00 -0.00 0.00 0.00 27.41 27.56 2d3k h HIS 30 CO 0.01 -0.08 0.21 0.78 -0.00 0.00 0.00 177.93 178.85 2d3k h GLY 31 N -0.04 0.54 0.96 2.45 0.00 -0.87 -1.45 103.07 104.65 2d3k h GLY 31 Ca 0.06 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.23 2d3k h GLY 31 CO -0.14 0.13 0.16 0.00 0.00 0.00 0.00 176.54 176.69 2d3k h ALA 32 N 1.19 0.36 0.34 3.60 0.00 -0.58 -1.23 119.26 122.93 2d3k h ALA 32 Ca 0.16 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2d3k h ALA 32 Cb 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2d3k h ALA 32 CO -0.09 -0.12 -0.16 0.28 0.00 0.00 0.00 179.25 179.16 2d3k h VAL 33 N 0.34 0.69 -0.27 0.00 2.07 -0.98 -0.01 116.25 118.09 2d3k h VAL 33 Ca 0.10 -0.25 0.05 0.00 0.82 0.00 0.00 66.70 67.42 2d3k h VAL 33 Cb 0.05 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 2d3k h VAL 33 CO -0.02 0.05 0.00 0.74 0.02 0.00 0.00 177.57 178.37 2d3k h THR 34 N -0.58 0.81 -0.07 2.57 2.02 -1.23 -0.99 112.91 115.44 2d3k h THR 34 Ca -0.05 -0.03 -0.09 0.00 0.77 0.00 0.00 66.41 67.02 2d3k h THR 34 Cb 0.43 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 2d3k h THR 34 CO 0.08 0.02 -0.35 0.00 0.37 0.00 0.00 175.52 175.63 2d3k h ALA 35 N 1.23 1.28 -0.53 6.16 0.00 -1.21 -1.65 119.26 124.53 2d3k h ALA 35 Ca 0.13 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 2d3k h ALA 35 Cb 0.17 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2d3k h ALA 35 CO -0.21 0.50 0.08 0.00 0.00 0.00 0.00 179.25 179.62 2d3k h ALA 36 N 1.52 0.71 -0.03 0.00 0.00 -0.26 -1.21 119.26 120.00 2d3k h ALA 36 Ca 0.01 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.55 2d3k h ALA 36 Cb 0.68 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2d3k h ALA 36 CO 0.05 0.46 -0.59 0.74 0.00 0.00 0.00 179.25 179.91 2d3k h PHE 37 N 0.77 0.12 -0.47 0.00 0.04 -0.95 0.39 116.94 116.84 2d3k h PHE 37 Ca 0.16 -0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.87 2d3k h PHE 37 Cb 0.41 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.52 2d3k h PHE 37 CO 0.03 0.66 0.24 0.93 -0.60 0.00 0.00 178.31 179.57 2d3k h GLU 38 N 0.07 0.67 -0.44 1.51 4.39 -1.01 -1.30 114.58 118.48 2d3k h GLU 38 Ca -0.01 -0.09 -0.05 0.00 0.34 0.00 0.00 59.36 59.55 2d3k h GLU 38 Cb 1.06 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.57 2d3k h GLU 38 CO 0.08 0.55 0.07 0.00 -1.16 0.00 0.00 179.01 178.56 2d3k h ALA 39 N 1.09 0.58 -0.84 3.43 0.00 -0.94 0.32 119.26 122.90 2d3k h ALA 39 Ca 0.16 -0.22 0.12 0.00 0.00 0.00 0.00 54.91 54.97 2d3k h ALA 39 Cb 0.09 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.63 2d3k h ALA 39 CO -0.02 0.30 0.47 -0.92 0.00 0.00 0.00 179.25 179.07 2d3k h TYR 40 N 0.58 0.84 0.08 0.00 3.20 -0.54 0.51 116.97 121.64 2d3k h TYR 40 Ca 0.13 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.91 2d3k h TYR 40 Cb 0.37 -0.25 0.01 0.00 1.54 0.00 0.00 36.73 38.40 2d3k h TYR 40 CO 0.03 0.29 -0.60 0.87 -1.64 0.00 0.00 178.16 177.10 2d3k h LYS 41 N 0.74 0.16 0.00 1.82 1.57 -1.01 -3.30 116.57 116.55 2d3k h LYS 41 Ca 0.43 -0.28 -0.08 0.00 -1.87 0.00 0.00 60.65 58.86 2d3k h LYS 41 Cb 0.48 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 2d3k h LYS 41 CO -0.29 1.13 -1.61 1.63 -0.57 0.00 0.00 179.45 179.74 2d3k n LYS 42 N -4.31 0.64 -2.93 3.15 5.02 0.08 -4.55 118.16 115.26 2d3k n LYS 42 Ca -0.15 0.01 -0.15 0.00 -2.02 0.00 0.00 58.31 56.00 2d3k n LYS 42 Cb 0.69 -1.68 -0.00 0.00 -0.02 0.00 0.00 35.03 34.02 2d3k n LYS 42 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2d3k n LYS 43 N -2.58 1.27 -0.28 1.97 4.76 0.17 -4.99 118.16 118.49 2d3k n LYS 43 Ca -0.07 -3.45 0.06 0.00 -2.87 0.00 0.00 58.31 51.98 2d3k n LYS 43 Cb 0.69 -1.57 0.17 0.00 -1.84 0.00 0.00 35.03 32.48 2d3k n LYS 43 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 2d3k h ARG 44 N 2.98 0.06 -0.70 1.97 9.65 -1.41 -0.89 114.38 126.04 2d3k h ARG 44 Ca 0.03 -0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.83 2d3k h ARG 44 Cb 1.03 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 29.57 2d3k h ARG 44 CO 0.53 0.04 0.16 0.93 2.80 0.00 0.00 179.97 184.44 2d3k h GLU 45 N 0.06 1.13 -0.48 0.20 4.39 -1.90 -0.51 114.58 117.47 2d3k h GLU 45 Ca 0.44 -0.27 -0.01 0.00 0.34 0.00 0.00 59.36 59.85 2d3k h GLU 45 Cb 0.78 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 2d3k h GLU 45 CO -0.75 1.00 0.25 -1.49 -1.16 0.00 0.00 179.01 176.86 2d3k h TRP 46 N 1.07 0.68 0.04 4.33 4.06 -1.56 -1.76 115.95 122.81 2d3k h TRP 46 Ca 0.22 -0.02 0.01 0.00 2.06 0.00 0.00 58.89 61.15 2d3k h TRP 46 Cb 0.38 -0.21 -0.01 0.00 -1.00 0.00 0.00 29.16 28.32 2d3k h TRP 46 CO 0.03 0.52 -0.06 0.35 -3.56 0.00 0.00 178.44 175.72 2d3k h PHE 47 N 0.64 -0.15 -0.72 0.49 3.57 -0.75 -1.39 116.94 118.62 2d3k h PHE 47 Ca 0.17 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 2d3k h PHE 47 Cb 0.08 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 2d3k h PHE 47 CO -0.01 -0.09 0.41 0.93 -2.23 0.00 0.00 178.31 177.31 2d3k h GLU 48 N -0.12 0.99 -0.39 1.11 4.39 -0.98 0.02 114.58 119.59 2d3k h GLU 48 Ca 0.01 -0.10 -0.03 0.00 0.34 0.00 0.00 59.36 59.58 2d3k h GLU 48 Cb 0.13 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 2d3k h GLU 48 CO -0.04 0.72 0.13 0.00 -1.16 0.00 0.00 179.01 178.67 2d3k h ALA 49 N 1.21 0.51 0.06 3.43 0.00 -1.22 -1.11 119.26 122.15 2d3k h ALA 49 Ca 0.25 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2d3k h ALA 49 Cb 0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2d3k h ALA 49 CO -0.04 0.14 -0.08 2.35 0.00 0.00 0.00 179.25 181.62 2d3k h TRP 50 N 0.49 -0.21 0.06 0.00 7.01 -0.99 -2.03 115.95 120.27 2d3k h TRP 50 Ca 0.13 0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.15 2d3k h TRP 50 Cb 0.23 0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 27.35 2d3k h TRP 50 CO 0.01 -0.13 -0.19 0.35 -2.79 0.00 0.00 178.44 175.69 2d3k h PHE 51 N -0.18 -0.50 0.00 2.65 3.57 -0.80 0.14 116.94 121.83 2d3k h PHE 51 Ca 0.01 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 2d3k h PHE 51 Cb 0.18 0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.13 2d3k h PHE 51 CO -0.12 -0.27 -0.01 0.07 -2.23 0.00 0.00 178.31 175.75 2d3k h ARG 52 N -0.34 0.00 0.00 1.11 0.11 -1.17 -1.96 114.38 112.13 2d3k h ARG 52 Ca 0.04 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.12 2d3k h ARG 52 Cb 0.38 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.46 2d3k h ARG 52 CO -0.14 0.01 -0.10 -1.91 0.10 0.00 0.00 179.97 177.92 2d3k n GLU 53 N -3.10 0.17 0.00 0.08 2.13 -0.77 -4.89 120.64 114.26 2d3k n GLU 53 Ca -0.00 0.12 0.00 0.00 0.66 0.00 0.00 57.16 57.94 2d3k n GLU 53 Cb 0.24 -1.68 0.00 0.00 0.27 0.00 0.00 31.44 30.27 2d3k n GLU 53 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2d3k n GLY 54 N 1.38 1.64 3.93 8.31 0.00 -0.74 -4.80 105.19 114.92 2d3k n GLY 54 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 2d3k n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d3k n GLN 55 N -0.52 -0.64 -1.66 1.61 10.64 0.43 -4.81 117.38 122.44 2d3k n GLN 55 Ca 0.00 -0.04 -0.45 0.00 -1.83 0.00 0.00 57.00 54.68 2d3k n GLN 55 Cb 0.00 -1.95 -0.03 0.00 -0.86 0.00 0.00 30.24 27.41 2d3k n GLN 55 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 2d3k n LYS 56 N -3.83 1.88 -4.20 2.61 4.81 -1.26 -4.88 118.16 113.29 2d3k n LYS 56 Ca -0.14 0.67 -0.16 0.00 -0.87 0.00 0.00 58.31 57.80 2d3k n LYS 56 Cb 0.45 -2.27 -0.13 0.00 0.02 0.00 0.00 35.03 33.09 2d3k n LYS 56 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2d3k s LYS 57 N -0.63 0.59 -0.03 1.64 1.02 -1.26 -1.28 119.74 119.78 2d3k s LYS 57 Ca 0.67 -0.46 0.02 0.00 0.02 0.00 0.00 55.97 56.22 2d3k s LYS 57 Cb -0.67 -0.52 0.01 0.00 -0.52 0.00 0.00 37.83 36.13 2d3k s LYS 57 CO 0.52 0.13 -0.08 0.08 -0.92 0.00 0.00 175.35 175.08 2d3k s VAL 58 N -0.61 0.72 -0.25 3.17 1.01 -0.65 -4.95 120.40 118.85 2d3k s VAL 58 Ca -0.01 -0.30 -0.07 0.00 0.00 0.00 0.00 61.98 61.60 2d3k s VAL 58 Cb -0.05 -0.67 -0.03 0.00 0.00 0.00 0.00 36.38 35.63 2d3k s VAL 58 CO 0.00 0.24 0.06 -0.69 0.00 0.00 0.00 175.10 174.72 2d3k s VAL 59 N 0.42 4.28 0.52 2.92 1.01 -1.26 -1.10 120.40 127.19 2d3k s VAL 59 Ca -0.07 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 61.76 2d3k s VAL 59 Cb -0.11 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.28 2d3k s VAL 59 CO 0.01 0.35 0.15 0.68 0.00 0.00 0.00 175.10 176.29 2d3k s VAL 60 N 1.57 1.40 0.12 2.92 -7.23 -0.49 -1.15 120.40 117.55 2d3k s VAL 60 Ca 0.06 -1.81 0.01 0.00 -1.81 0.00 0.00 61.98 58.43 2d3k s VAL 60 Cb -0.15 -2.21 -0.04 0.00 0.56 0.00 0.00 36.38 34.54 2d3k s VAL 60 CO 0.03 0.00 -0.01 -1.59 -0.31 0.00 0.00 175.10 173.22 2d3k s LYS 61 N -4.02 0.92 0.26 4.82 -2.85 -0.43 -0.80 119.74 117.64 2d3k s LYS 61 Ca 0.18 -1.41 -0.04 0.00 -1.00 0.00 0.00 55.97 53.70 2d3k s LYS 61 Cb 0.01 -0.09 -0.02 0.00 -2.06 0.00 0.00 37.83 35.67 2d3k s LYS 61 CO 0.11 -0.12 0.32 0.14 0.10 0.00 0.00 175.35 175.90 2d3k s VAL 62 N -3.75 0.00 -0.12 1.79 -7.23 -0.75 -4.41 120.40 105.92 2d3k s VAL 62 Ca 0.18 -1.74 0.18 0.00 -1.81 0.00 0.00 61.98 58.79 2d3k s VAL 62 Cb 0.06 -2.44 0.27 0.00 0.56 0.00 0.00 36.38 34.83 2d3k s VAL 62 CO -0.01 0.00 1.14 -0.62 -0.31 0.00 0.00 175.10 175.30 2d3k n GLU 63 N -0.40 1.39 -3.48 4.82 -0.58 -1.26 -1.49 120.64 119.64 2d3k n GLU 63 Ca 0.01 -2.50 -0.10 0.00 -0.42 0.00 0.00 57.16 54.16 2d3k n GLU 63 Cb 0.63 -1.46 -0.02 0.00 -0.57 0.00 0.00 31.44 30.02 2d3k n GLU 63 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2d3k s SER 64 N -2.74 -0.44 0.23 1.62 1.04 -1.26 -4.66 113.70 107.49 2d3k s SER 64 Ca 0.30 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.75 2d3k s SER 64 Cb 0.26 0.46 0.23 0.00 0.10 0.00 0.00 66.02 67.06 2d3k s SER 64 CO 0.03 -0.73 1.58 1.05 0.98 0.00 0.00 173.24 176.15 2d3k h GLU 65 N 2.03 0.47 -0.58 4.02 4.11 -1.97 -2.98 114.58 119.68 2d3k h GLU 65 Ca -0.26 -0.26 0.11 0.00 0.07 0.00 0.00 59.36 59.01 2d3k h GLU 65 Cb 1.26 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 30.44 2d3k h GLU 65 CO 0.33 0.84 0.12 0.93 0.07 0.00 0.00 179.01 181.31 2d3k h GLU 66 N 0.38 0.25 -0.74 1.06 3.07 -2.00 0.08 114.58 116.68 2d3k h GLU 66 Ca 0.02 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2d3k h GLU 66 Cb 0.97 -0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 28.78 2d3k h GLU 66 CO 0.08 0.16 0.44 1.49 -1.40 0.00 0.00 179.01 179.79 2d3k h GLU 67 N 0.25 1.00 -0.55 2.33 4.57 -1.93 -1.62 114.58 118.63 2d3k h GLU 67 Ca 0.30 -0.09 -0.03 0.00 -1.18 0.00 0.00 59.36 58.36 2d3k h GLU 67 Cb 0.44 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 2d3k h GLU 67 CO -0.39 0.71 0.24 -0.07 -1.18 0.00 0.00 179.01 178.33 2d3k h LEU 68 N 1.01 0.74 -0.67 1.64 3.38 -1.00 -1.26 115.31 119.15 2d3k h LEU 68 Ca 0.26 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 2d3k h LEU 68 Cb -0.03 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 2d3k h LEU 68 CO -0.05 0.68 0.25 -0.26 0.09 0.00 0.00 178.44 179.16 2d3k h PHE 69 N 0.75 1.02 -0.53 1.13 0.04 -0.77 0.23 116.94 118.82 2d3k h PHE 69 Ca 0.19 -0.08 -0.02 0.00 2.80 0.00 0.00 57.97 60.85 2d3k h PHE 69 Cb 0.16 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 37.98 2d3k h PHE 69 CO 0.00 0.81 0.24 -0.22 -0.60 0.00 0.00 178.31 178.54 2d3k h LYS 70 N 0.95 0.77 -0.33 1.51 3.64 -1.07 -1.38 116.57 120.66 2d3k h LYS 70 Ca 0.22 -0.12 -0.12 0.00 -1.27 0.00 0.00 60.65 59.36 2d3k h LYS 70 Cb 0.23 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 2d3k h LYS 70 CO -0.02 0.65 -0.28 -0.07 -2.27 0.00 0.00 179.45 177.47 2d3k h LEU 71 N 0.71 0.70 -0.65 5.20 3.38 -1.00 -2.31 115.31 121.34 2d3k h LEU 71 Ca 0.18 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 2d3k h LEU 71 Cb 0.14 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2d3k h LEU 71 CO -0.02 0.94 0.26 0.50 0.09 0.00 0.00 178.44 180.22 2d3k h LYS 72 N 0.59 0.96 -1.00 1.13 3.64 -0.61 -0.92 116.57 120.37 2d3k h LYS 72 Ca 0.07 -0.17 0.01 0.00 -1.27 0.00 0.00 60.65 59.29 2d3k h LYS 72 Cb 0.78 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 32.39 2d3k h LYS 72 CO 0.06 0.81 0.66 0.00 -2.27 0.00 0.00 179.45 178.71 2d3k h ALA 73 N 1.11 1.29 -0.51 5.00 0.00 -1.05 0.04 119.26 125.14 2d3k h ALA 73 Ca 0.22 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 2d3k h ALA 73 Cb 0.20 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2d3k h ALA 73 CO -0.02 0.66 0.06 1.49 0.00 0.00 0.00 179.25 181.44 2d3k h GLU 74 N 1.35 0.86 -0.72 0.00 4.81 -0.84 -1.68 114.58 118.36 2d3k h GLU 74 Ca 0.37 -0.24 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 2d3k h GLU 74 Cb -0.16 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.10 2d3k h GLU 74 CO -0.08 0.86 0.34 0.00 -0.73 0.00 0.00 179.01 179.40 2d3k h ALA 75 N 0.97 0.93 -0.62 2.92 0.00 -0.45 -2.23 119.26 120.78 2d3k h ALA 75 Ca 0.15 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2d3k h ALA 75 Cb 0.43 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2d3k h ALA 75 CO 0.01 0.51 0.08 0.93 0.00 0.00 0.00 179.25 180.78 2d3k h GLU 76 N 1.01 1.03 -0.58 0.00 4.39 -0.87 -0.89 114.58 118.67 2d3k h GLU 76 Ca 0.25 -0.29 0.01 0.00 0.34 0.00 0.00 59.36 59.67 2d3k h GLU 76 Cb 0.14 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 2d3k h GLU 76 CO -0.03 0.97 0.38 -0.22 -1.16 0.00 0.00 179.01 178.96 2d3k h LYS 77 N 0.94 0.73 -0.00 2.33 3.64 -0.95 -1.60 116.57 121.65 2d3k h LYS 77 Ca 0.18 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2d3k h LYS 77 Cb 0.45 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 2d3k h LYS 77 CO 0.02 0.48 -0.22 1.28 -2.27 0.00 0.00 179.45 178.73 2d3k n LEU 78 N -4.45 0.57 -0.70 5.20 4.77 -0.87 -4.93 117.00 116.59 2d3k n LEU 78 Ca 0.06 -0.01 -0.07 0.00 -0.03 0.00 0.00 56.01 55.96 2d3k n LEU 78 Cb 0.07 -0.22 -0.01 0.00 -2.33 0.00 0.00 43.42 40.93 2d3k n LEU 78 CO 0.35 0.11 -0.08 0.61 -1.33 0.00 0.00 177.39 177.06 2d3k n GLY 79 N 1.37 0.37 3.77 -0.72 0.00 -0.60 -5.01 105.19 104.37 2d3k n GLY 79 Ca 0.11 -0.65 -0.39 0.00 0.00 0.00 0.00 46.02 45.09 2d3k n GLY 79 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2d3k s LEU 80 N -1.84 4.57 0.32 0.99 1.43 -0.41 -5.02 118.68 118.72 2d3k s LEU 80 Ca 0.00 1.59 -0.29 0.00 -1.03 0.00 0.00 54.13 54.40 2d3k s LEU 80 Cb 0.00 -3.26 -0.11 0.00 0.03 0.00 0.00 46.19 42.85 2d3k s LEU 80 CO 0.00 0.18 1.44 -2.84 0.23 0.00 0.00 176.35 175.36 2d3k s PRO 81 N -0.94 4.22 0.28 1.29 0.02 -1.26 -4.66 135.00 133.95 2d3k s PRO 81 Ca 0.36 2.40 -0.20 0.00 0.02 0.00 0.00 61.00 63.58 2d3k s PRO 81 Cb -0.22 -3.04 0.02 0.00 0.02 0.00 0.00 34.50 31.27 2d3k s PRO 81 CO 0.25 -0.42 0.68 0.54 -0.33 0.00 0.00 177.00 177.72 2d3k s ASN 82 N 0.00 -0.23 -0.24 2.53 2.20 -1.26 -0.34 114.94 117.60 2d3k s ASN 82 Ca 0.55 -0.67 -0.08 0.00 -0.94 0.00 0.00 52.86 51.72 2d3k s ASN 82 Cb -0.44 0.71 0.11 0.00 -2.00 0.00 0.00 41.25 39.63 2d3k s ASN 82 CO 0.52 -1.32 0.52 0.00 -2.94 0.00 0.00 177.10 173.88 2d3k s ALA 83 N -3.91 -1.55 -0.27 3.54 0.00 -0.66 -4.58 121.76 114.33 2d3k s ALA 83 Ca 0.13 1.88 -0.14 0.00 0.00 0.00 0.00 51.96 53.83 2d3k s ALA 83 Cb -0.05 -1.52 -0.04 0.00 0.00 0.00 0.00 23.12 21.51 2d3k s ALA 83 CO 0.07 -0.82 0.34 -1.17 0.00 0.00 0.00 175.76 174.18 2d3k s LEU 84 N 2.70 4.05 -0.05 0.00 2.96 -1.26 -1.35 118.68 125.73 2d3k s LEU 84 Ca -0.04 0.21 -0.13 0.00 -0.22 0.00 0.00 54.13 53.95 2d3k s LEU 84 Cb -0.12 -2.36 -0.05 0.00 0.50 0.00 0.00 46.19 44.16 2d3k s LEU 84 CO -0.16 -0.16 0.34 -0.63 -1.32 0.00 0.00 176.35 174.42 2d3k s ILE 85 N 2.01 5.18 -0.05 6.68 -1.09 0.19 -5.01 121.20 129.10 2d3k s ILE 85 Ca 0.13 0.67 0.00 0.00 -2.23 0.00 0.00 60.65 59.23 2d3k s ILE 85 Cb -0.16 -3.64 0.02 0.00 -1.58 0.00 0.00 42.46 37.10 2d3k s ILE 85 CO 0.10 0.55 -0.03 -0.13 -1.23 0.00 0.00 174.94 174.20 2d3k s ARG 86 N -0.76 0.73 -0.30 2.79 0.52 -1.26 -0.79 118.95 119.88 2d3k s ARG 86 Ca 0.21 -0.04 0.01 0.00 -0.52 0.00 0.00 55.73 55.39 2d3k s ARG 86 Cb -0.15 -0.85 0.07 0.00 0.52 0.00 0.00 34.95 34.54 2d3k s ARG 86 CO 0.10 -0.14 -0.02 0.34 0.02 0.00 0.00 175.30 175.59 2d3k s ASP 87 N 1.19 4.73 0.53 0.23 -1.08 -1.26 -4.96 116.67 116.05 2d3k s ASP 87 Ca -0.07 -1.51 0.29 0.00 -0.52 0.00 0.00 52.55 50.74 2d3k s ASP 87 Cb -0.14 -1.64 1.49 0.00 -1.46 0.00 0.00 42.92 41.17 2d3k s ASP 87 CO -0.02 -0.27 2.08 0.00 0.52 0.00 0.00 175.17 177.48 2d3k h ALA 88 N 7.85 1.23 0.00 3.66 0.00 -1.99 -1.42 119.26 128.60 2d3k h ALA 88 Ca -0.17 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2d3k h ALA 88 Cb 1.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2d3k h ALA 88 CO 0.51 0.13 0.00 0.41 0.00 0.00 0.00 179.25 180.31 2d3k n GLY 89 N -0.63 -1.14 3.03 0.00 0.00 -1.26 -3.98 105.19 101.20 2d3k n GLY 89 Ca -0.02 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 2d3k n GLY 89 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2d3k n LEU 90 N -1.50 6.29 0.00 0.99 7.94 -0.54 -4.78 117.00 125.40 2d3k n LEU 90 Ca 0.04 -4.82 0.08 0.00 -1.11 0.00 0.00 56.01 50.21 2d3k n LEU 90 Cb 0.22 -1.44 0.35 0.00 0.53 0.00 0.00 43.42 43.08 2d3k n LEU 90 CO 0.17 1.37 0.75 0.35 -1.11 0.00 0.00 177.39 178.93 2d3k n THR 91 N 2.88 0.84 0.73 1.96 -2.24 -1.26 -2.85 114.28 114.35 2d3k n THR 91 Ca 0.34 0.21 0.11 0.00 -2.27 0.00 0.00 64.05 62.44 2d3k n THR 91 Cb 0.36 -0.94 0.48 0.00 -2.10 0.00 0.00 70.33 68.14 2d3k n THR 91 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2d3k n GLU 92 N -1.46 0.05 -4.31 -0.78 0.28 -1.26 -4.77 120.64 108.38 2d3k n GLU 92 Ca 0.05 0.15 -0.19 0.00 -0.16 0.00 0.00 57.16 57.01 2d3k n GLU 92 Cb 0.18 -1.57 -0.11 0.00 1.43 0.00 0.00 31.44 31.37 2d3k n GLU 92 CO 0.00 0.00 0.00 0.96 -0.16 0.00 0.00 177.13 177.93 2d3k s ILE 93 N -3.04 1.60 0.34 3.84 -4.36 -1.13 -5.12 121.20 113.32 2d3k s ILE 93 Ca 0.10 -2.02 -0.26 0.00 -0.26 0.00 0.00 60.65 58.21 2d3k s ILE 93 Cb 0.14 -1.86 -0.13 0.00 1.25 0.00 0.00 42.46 41.86 2d3k s ILE 93 CO 0.44 -0.51 0.89 -2.65 0.24 0.00 0.00 174.94 173.35 2d3k n PRO 94 N -0.01 1.12 -1.75 0.37 -0.02 -1.26 -4.89 135.00 128.57 2d3k n PRO 94 Ca -0.11 0.40 -0.42 0.00 -2.02 0.00 0.00 63.50 61.35 2d3k n PRO 94 Cb 0.59 -1.77 -0.01 0.00 -0.02 0.00 0.00 33.50 32.28 2d3k n PRO 94 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2d3k n PRO 95 N 0.58 2.69 -0.77 0.52 -0.02 -1.26 -2.11 135.00 134.64 2d3k n PRO 95 Ca 0.10 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.54 2d3k n PRO 95 Cb 0.34 -2.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.09 2d3k n PRO 95 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2d3k n GLY 96 N 2.08 0.77 3.69 -1.23 0.00 -1.26 -5.01 105.19 104.23 2d3k n GLY 96 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 2d3k n GLY 96 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2d3k s THR 97 N -2.90 3.44 0.15 2.61 2.01 -0.90 -4.96 115.64 115.10 2d3k s THR 97 Ca 0.00 0.85 -0.30 0.00 0.31 0.00 0.00 61.69 62.55 2d3k s THR 97 Cb 0.00 -3.54 -0.07 0.00 0.01 0.00 0.00 72.50 68.90 2d3k s THR 97 CO 0.00 -0.00 0.98 0.68 -0.69 0.00 0.00 174.62 175.59 2d3k s VAL 98 N 2.50 4.29 -0.17 3.82 -7.23 -1.26 -4.21 120.40 118.15 2d3k s VAL 98 Ca 0.68 2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 62.84 2d3k s VAL 98 Cb -0.35 -4.28 -0.10 0.00 0.56 0.00 0.00 36.38 32.21 2d3k s VAL 98 CO 0.29 0.36 -0.16 0.35 -0.31 0.00 0.00 175.10 175.62 2d3k n THR 99 N 2.39 0.95 -3.86 5.32 -2.24 0.03 -4.89 114.28 111.98 2d3k n THR 99 Ca 0.01 -0.34 -0.09 0.00 -2.27 0.00 0.00 64.05 61.36 2d3k n THR 99 Cb 0.48 -1.23 -0.06 0.00 -2.10 0.00 0.00 70.33 67.42 2d3k n THR 99 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2d3k s VAL 100 N -2.33 0.07 -0.10 2.28 -7.23 -1.25 -2.15 120.40 109.68 2d3k s VAL 100 Ca -0.23 -1.15 -0.01 0.00 -1.81 0.00 0.00 61.98 58.79 2d3k s VAL 100 Cb 0.07 -1.63 0.03 0.00 0.56 0.00 0.00 36.38 35.40 2d3k s VAL 100 CO 0.37 -0.33 -0.05 -0.22 -0.31 0.00 0.00 175.10 174.56 2d3k s LEU 101 N -2.91 1.02 -0.16 1.32 2.96 -0.04 -0.64 118.68 120.22 2d3k s LEU 101 Ca 0.12 -0.26 -0.10 0.00 -0.22 0.00 0.00 54.13 53.67 2d3k s LEU 101 Cb 0.03 -0.71 -0.05 0.00 0.50 0.00 0.00 46.19 45.96 2d3k s LEU 101 CO -0.04 -0.15 0.17 0.00 -1.32 0.00 0.00 176.35 175.01 2d3k s ALA 102 N 1.79 3.73 -0.16 5.97 0.00 -0.46 0.60 121.76 133.23 2d3k s ALA 102 Ca 0.05 -0.62 0.01 0.00 0.00 0.00 0.00 51.96 51.39 2d3k s ALA 102 Cb -0.13 -2.16 0.02 0.00 0.00 0.00 0.00 23.12 20.86 2d3k s ALA 102 CO -0.07 0.29 -0.17 0.08 0.00 0.00 0.00 175.76 175.89 2d3k s VAL 103 N -0.07 1.77 0.00 0.00 1.01 0.11 -1.65 120.40 121.56 2d3k s VAL 103 Ca 0.12 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.33 2d3k s VAL 103 Cb -0.12 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.63 2d3k s VAL 103 CO 0.01 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.21 2d3k n GLY 104 N 4.64 -2.04 3.67 4.51 0.00 0.54 -0.92 105.19 115.59 2d3k n GLY 104 Ca -0.19 -2.07 -0.40 0.00 0.00 0.00 0.00 46.02 43.36 2d3k n GLY 104 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d3k n PRO 105 N -0.00 1.52 -3.66 1.61 -0.04 -1.26 -4.37 135.00 128.79 2d3k n PRO 105 Ca 0.00 0.55 -0.00 0.00 -0.04 0.00 0.00 63.50 64.01 2d3k n PRO 105 Cb 0.00 -2.29 -0.01 0.00 -0.04 0.00 0.00 33.50 31.16 2d3k n PRO 105 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2d3k s ALA 106 N -1.30 -2.03 0.19 0.55 0.00 -1.10 -4.65 121.76 113.42 2d3k s ALA 106 Ca 0.67 0.53 -0.33 0.00 0.00 0.00 0.00 51.96 52.83 2d3k s ALA 106 Cb -0.48 0.44 -0.14 0.00 0.00 0.00 0.00 23.12 22.94 2d3k s ALA 106 CO 0.54 -1.03 1.40 -2.30 0.00 0.00 0.00 175.76 174.36 2d3k n PRO 107 N -0.47 1.80 -0.34 0.00 -0.02 -1.26 -2.36 135.00 132.35 2d3k n PRO 107 Ca -0.07 0.65 0.16 0.00 -2.02 0.00 0.00 63.50 62.21 2d3k n PRO 107 Cb 0.62 -2.30 0.36 0.00 -0.02 0.00 0.00 33.50 32.17 2d3k n PRO 107 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2d3k h GLU 108 N 4.50 0.56 -0.70 -0.52 -0.00 -1.15 -1.43 114.58 115.84 2d3k h GLU 108 Ca -0.45 -0.03 0.01 0.00 -0.00 0.00 0.00 59.36 58.88 2d3k h GLU 108 Cb 1.29 -0.13 -0.03 0.00 -0.00 0.00 0.00 28.75 29.88 2d3k h GLU 108 CO 0.78 0.37 0.46 0.93 -0.00 0.00 0.00 179.01 181.55 2d3k h GLU 109 N 0.58 0.92 -0.16 1.06 3.07 -1.88 -1.14 114.58 117.04 2d3k h GLU 109 Ca 0.62 -0.06 -0.11 0.00 -0.50 0.00 0.00 59.36 59.31 2d3k h GLU 109 Cb 1.15 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 28.85 2d3k h GLU 109 CO -0.47 0.62 -0.38 0.82 -1.40 0.00 0.00 179.01 178.19 2d3k h ILE 110 N 0.95 1.30 -0.48 3.13 2.04 -1.62 -1.64 117.51 121.19 2d3k h ILE 110 Ca 0.25 -1.48 -0.13 0.00 1.00 0.00 0.00 64.86 64.50 2d3k h ILE 110 Cb -0.10 1.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 2d3k h ILE 110 CO -0.05 0.45 -0.21 0.58 0.00 0.00 0.00 178.15 178.92 2d3k h VAL 111 N 0.29 1.27 0.00 1.67 2.07 -1.14 -2.55 116.25 117.86 2d3k h VAL 111 Ca 0.03 -1.37 -0.04 0.00 0.82 0.00 0.00 66.70 66.13 2d3k h VAL 111 Cb 0.81 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 2d3k h VAL 111 CO 0.06 0.47 -0.20 0.44 0.02 0.00 0.00 177.57 178.37 2d3k h ASP 112 N 0.85 0.00 -0.03 0.57 3.32 -0.85 -0.29 116.42 119.99 2d3k h ASP 112 Ca 0.11 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.17 2d3k h ASP 112 Cb 0.79 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.34 2d3k h ASP 112 CO 0.07 0.20 0.13 0.50 -1.72 0.00 0.00 179.24 178.41 2d3k h LYS 113 N 0.00 0.00 0.00 3.56 1.63 -0.86 0.54 116.57 121.44 2d3k h LYS 113 Ca -0.00 0.00 -0.13 0.00 -0.85 0.00 0.00 60.65 59.66 2d3k h LYS 113 Cb 0.42 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.03 2d3k h LYS 113 CO 0.03 0.00 -1.38 0.28 -3.45 0.00 0.00 179.45 174.92 2d3k n VAL 114 N -3.17 1.45 0.91 2.00 0.31 -0.24 -4.75 118.33 114.83 2d3k n VAL 114 Ca -0.02 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.43 2d3k n VAL 114 Cb 0.20 -2.14 0.17 0.00 -0.91 0.00 0.00 33.84 31.16 2d3k n VAL 114 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2d3k n THR 115 N -4.29 0.11 0.30 2.52 -2.24 -0.50 -4.63 114.28 105.54 2d3k n THR 115 Ca -0.24 -0.52 0.13 0.00 -2.27 0.00 0.00 64.05 61.14 2d3k n THR 115 Cb 0.59 1.28 0.71 0.00 -2.10 0.00 0.00 70.33 70.81 2d3k n THR 115 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2d3k h GLY 116 N 4.70 0.00 -1.79 3.38 0.00 -0.09 -0.97 103.07 108.29 2d3k h GLY 116 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2d3k h GLY 116 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 174.53 2d3k n ASN 117 N -2.71 3.79 -4.90 0.19 5.15 -1.26 -4.99 115.26 110.54 2d3k n ASN 117 Ca -0.02 -2.61 -0.32 0.00 -0.60 0.00 0.00 54.58 51.03 2d3k n ASN 117 Cb 0.37 -0.45 -0.05 0.00 -0.53 0.00 0.00 39.78 39.12 2d3k n ASN 117 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2d3k s LEU 118 N -2.10 4.33 0.21 1.20 1.43 -0.37 -5.09 118.68 118.28 2d3k s LEU 118 Ca 0.38 0.49 -0.13 0.00 -1.03 0.00 0.00 54.13 53.84 2d3k s LEU 118 Cb 0.27 -2.98 -0.07 0.00 0.03 0.00 0.00 46.19 43.44 2d3k s LEU 118 CO 0.14 0.16 0.59 -0.54 0.23 0.00 0.00 176.35 176.92 2d3k s LYS 119 N -2.28 3.93 0.65 1.70 -0.14 -1.26 -4.93 119.74 117.42 2d3k s LYS 119 Ca 0.34 0.46 -0.18 0.00 -1.36 0.00 0.00 55.97 55.24 2d3k s LYS 119 Cb -0.13 -2.75 -0.01 0.00 -1.68 0.00 0.00 37.83 33.26 2d3k s LYS 119 CO 0.22 0.37 1.28 -0.51 -0.76 0.00 0.00 175.35 175.95 2d3k s LEU 120 N -2.42 3.55 0.00 3.17 1.43 -1.26 -1.31 118.68 121.84 2d3k s LEU 120 Ca 0.44 2.58 0.29 0.00 -1.03 0.00 0.00 54.13 56.41 2d3k s LEU 120 Cb -0.13 -4.61 1.26 0.00 0.03 0.00 0.00 46.19 42.74 2d3k s LEU 120 CO 0.20 -2.02 1.86 -0.11 0.23 0.00 0.00 176.35 176.51