#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q68 h LEU 2 N 0.00 0.91 -0.14 3.17 6.46 -2.05 -0.49 115.31 123.17 2q68 h LEU 2 Ca 0.00 0.01 0.04 0.00 -0.12 0.00 0.00 57.88 57.81 2q68 h LEU 2 Cb 0.00 -0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 39.71 2q68 h LEU 2 CO 0.00 0.57 -0.09 -1.28 -0.62 0.00 0.00 178.44 177.02 2q68 h SER 3 N 1.02 -0.29 -0.20 1.25 0.87 -2.05 0.33 113.55 114.48 2q68 h SER 3 Ca 0.41 0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 61.03 2q68 h SER 3 Cb 0.26 0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 2q68 h SER 3 CO -0.16 -0.12 0.12 0.15 -0.53 0.00 0.00 176.83 176.29 2q68 h PHE 4 N -0.09 0.26 -0.50 2.24 3.57 -1.72 -1.84 116.94 118.86 2q68 h PHE 4 Ca 0.08 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.65 2q68 h PHE 4 Cb 0.21 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.81 2q68 h PHE 4 CO -0.22 0.21 0.19 1.25 -2.23 0.00 0.00 178.31 177.51 2q68 h LEU 5 N 0.24 0.22 -0.72 0.59 7.12 -0.56 -1.67 115.31 120.54 2q68 h LEU 5 Ca 0.07 0.05 -0.01 0.00 0.13 0.00 0.00 57.88 58.12 2q68 h LEU 5 Cb 0.02 0.02 -0.03 0.00 -0.53 0.00 0.00 40.66 40.14 2q68 h LEU 5 CO -0.01 0.16 0.40 -0.07 -0.13 0.00 0.00 178.44 178.79 2q68 h LEU 6 N 0.38 0.89 -0.10 2.25 4.07 -0.12 -1.79 115.31 120.89 2q68 h LEU 6 Ca 0.23 -0.09 -0.00 0.00 0.08 0.00 0.00 57.88 58.10 2q68 h LEU 6 Cb 0.23 -0.23 -0.00 0.00 1.08 0.00 0.00 40.66 41.74 2q68 h LEU 6 CO -0.22 0.72 0.06 0.74 -1.08 0.00 0.00 178.44 178.65 2q68 h THR 7 N 0.99 1.07 -0.05 0.22 2.02 -0.85 -1.27 112.91 115.04 2q68 h THR 7 Ca 0.25 -0.20 0.04 0.00 0.77 0.00 0.00 66.41 67.27 2q68 h THR 7 Cb 0.02 1.03 -0.05 0.00 -1.74 0.00 0.00 68.15 67.41 2q68 h THR 7 CO -0.04 0.06 -0.23 0.25 0.37 0.00 0.00 175.52 175.93 2q68 h LEU 8 N 0.08 -0.70 -1.16 2.58 6.46 -1.16 -1.36 115.31 120.05 2q68 h LEU 8 Ca 0.04 0.10 0.06 0.00 -0.12 0.00 0.00 57.88 57.95 2q68 h LEU 8 Cb 0.05 0.30 -0.06 0.00 -0.73 0.00 0.00 40.66 40.22 2q68 h LEU 8 CO -0.01 -0.29 0.58 0.11 -0.62 0.00 0.00 178.44 178.21 2q68 h LYS 9 N -0.34 1.00 -0.43 1.25 1.57 -1.20 0.20 116.57 118.63 2q68 h LYS 9 Ca 0.07 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 2q68 h LYS 9 Cb 0.45 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 2q68 h LYS 9 CO -0.24 0.66 0.11 -0.09 -0.57 0.00 0.00 179.45 179.32 2q68 h ARG 10 N 1.03 0.68 -0.18 3.15 2.43 -0.73 -0.86 114.38 119.90 2q68 h ARG 10 Ca 0.38 -0.16 -0.01 0.00 -0.81 0.00 0.00 59.98 59.38 2q68 h ARG 10 Cb 0.16 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 2q68 h ARG 10 CO -0.13 0.69 0.08 0.52 -1.51 0.00 0.00 179.97 179.61 2q68 h MET 11 N 0.56 0.26 -0.77 0.20 2.86 -0.37 -1.46 114.93 116.21 2q68 h MET 11 Ca 0.14 -0.04 0.06 0.00 -2.06 0.00 0.00 59.70 57.79 2q68 h MET 11 Cb 0.31 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.88 2q68 h MET 11 CO 0.00 0.32 0.51 -0.07 1.06 0.00 0.00 176.91 178.73 2q68 h LEU 12 N 0.14 0.75 -0.49 1.22 4.07 -0.52 -0.06 115.31 120.42 2q68 h LEU 12 Ca 0.06 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.98 2q68 h LEU 12 Cb 0.15 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.71 2q68 h LEU 12 CO -0.01 0.49 0.14 0.03 -1.08 0.00 0.00 178.44 178.02 2q68 h ARG 13 N 0.85 0.77 0.00 1.13 3.08 -0.65 -1.44 114.38 118.13 2q68 h ARG 13 Ca 0.33 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 60.16 2q68 h ARG 13 Cb 0.19 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2q68 h ARG 13 CO -0.11 0.73 -0.19 0.00 -1.07 0.00 0.00 179.97 179.34 2q68 h ALA 14 N 1.00 1.31 -0.00 0.04 0.00 -0.17 -0.53 119.26 120.90 2q68 h ALA 14 Ca 0.16 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2q68 h ALA 14 Cb 0.29 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2q68 h ALA 14 CO -0.00 0.23 -0.16 0.00 0.00 0.00 0.00 179.25 179.33 2q68 h LEU 16 N -0.58 0.00 -1.01 0.00 3.38 -1.09 -1.52 115.31 114.48 2q68 h LEU 16 Ca -0.02 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 2q68 h LEU 16 Cb 0.91 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 2q68 h LEU 16 CO 0.03 0.13 -0.40 -0.09 0.09 0.00 0.00 178.44 178.20 2q68 h ARG 17 N 0.00 0.18 -0.10 1.13 2.43 -1.05 -2.80 114.38 114.18 2q68 h ARG 17 Ca -0.00 -0.08 -0.18 0.00 -0.81 0.00 0.00 59.98 58.91 2q68 h ARG 17 Cb 0.40 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.94 2q68 h ARG 17 CO 0.02 0.56 -0.70 0.00 -1.51 0.00 0.00 179.97 178.34 2q68 h ALA 18 N 1.44 0.61 0.00 2.80 0.00 -1.14 -2.86 119.26 120.11 2q68 h ALA 18 Ca 0.01 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2q68 h ALA 18 Cb 0.78 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2q68 h ALA 18 CO 0.06 0.75 0.00 0.91 0.00 0.00 0.00 179.25 180.97 2q68 n TRP 19 N -3.86 0.00 -0.00 0.00 8.01 -1.06 -0.85 117.44 119.68 2q68 n TRP 19 Ca -0.04 0.00 0.03 0.00 -1.31 0.00 0.00 57.50 56.17 2q68 n TRP 19 Cb 0.69 -0.00 -0.04 0.00 -2.01 0.00 0.00 31.31 29.94 2q68 n TRP 19 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.69 177.85 2q68 n LYS 20 N -0.45 0.35 -2.16 -0.99 4.81 -1.08 -4.89 118.16 113.74 2q68 n LYS 20 Ca 0.00 -0.05 -0.42 0.00 -0.87 0.00 0.00 58.31 56.97 2q68 n LYS 20 Cb 0.01 -1.14 -0.03 0.00 0.02 0.00 0.00 35.03 33.89 2q68 n LYS 20 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2q68 s ASP 21 N -2.72 6.81 0.22 3.14 2.15 -0.02 -4.92 116.67 121.32 2q68 s ASP 21 Ca -0.02 2.23 -0.08 0.00 0.43 0.00 0.00 52.55 55.11 2q68 s ASP 21 Cb 0.04 -2.57 0.28 0.00 -0.30 0.00 0.00 42.92 40.37 2q68 s ASP 21 CO 0.24 -0.73 1.80 0.11 -0.17 0.00 0.00 175.17 176.42 2q68 h LYS 22 N 7.63 0.65 -0.86 4.34 1.57 -1.93 -1.33 116.57 126.63 2q68 h LYS 22 Ca -0.40 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.33 2q68 h LYS 22 Cb 1.19 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 33.31 2q68 h LYS 22 CO 0.90 0.43 0.50 0.93 -0.57 0.00 0.00 179.45 181.64 2q68 h GLU 23 N 0.67 1.18 -0.39 3.15 5.08 -1.94 0.76 114.58 123.09 2q68 h GLU 23 Ca 0.32 -0.12 -0.10 0.00 -1.00 0.00 0.00 59.36 58.46 2q68 h GLU 23 Cb 0.25 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 2q68 h GLU 23 CO -0.21 0.84 -0.17 0.35 -1.00 0.00 0.00 179.01 178.82 2q68 h PHE 24 N 1.19 0.83 -0.51 4.33 3.04 -1.73 -1.47 116.94 122.62 2q68 h PHE 24 Ca 0.31 -0.17 -0.05 0.00 3.98 0.00 0.00 57.97 62.04 2q68 h PHE 24 Cb -0.02 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 38.26 2q68 h PHE 24 CO 0.00 0.86 0.13 1.96 -2.02 0.00 0.00 178.31 179.25 2q68 h GLN 25 N 0.66 0.80 0.68 1.11 4.20 -0.43 0.10 115.11 122.24 2q68 h GLN 25 Ca 0.10 -0.19 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 2q68 h GLN 25 Cb 0.66 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.33 2q68 h GLN 25 CO 0.05 0.77 -0.42 0.28 -0.67 0.00 0.00 178.83 178.83 2q68 h VAL 26 N 0.70 0.15 -0.89 -0.54 2.07 -0.63 0.18 116.25 117.28 2q68 h VAL 26 Ca 0.16 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.88 2q68 h VAL 26 Cb 0.32 0.15 -0.11 0.00 -1.52 0.00 0.00 31.29 30.12 2q68 h VAL 26 CO -0.00 0.00 0.43 -0.07 0.02 0.00 0.00 177.57 177.95 2q68 h LEU 27 N -1.04 0.44 -0.16 2.57 3.38 -1.09 0.31 115.31 119.72 2q68 h LEU 27 Ca -0.09 0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2q68 h LEU 27 Cb 0.84 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 2q68 h LEU 27 CO 0.09 0.09 0.02 0.15 0.09 0.00 0.00 178.44 178.89 2q68 h PHE 28 N 0.50 0.27 -0.31 1.13 3.57 -0.36 -1.96 116.94 119.79 2q68 h PHE 28 Ca 0.53 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 62.00 2q68 h PHE 28 Cb 0.93 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.57 2q68 h PHE 28 CO -0.11 0.43 0.19 0.28 -2.23 0.00 0.00 178.31 176.87 2q68 h VAL 29 N 0.04 1.05 -0.99 1.41 2.07 0.12 -1.76 116.25 118.19 2q68 h VAL 29 Ca 0.05 -0.13 0.11 0.00 0.82 0.00 0.00 66.70 67.54 2q68 h VAL 29 Cb 0.30 0.63 -0.08 0.00 -1.52 0.00 0.00 31.29 30.63 2q68 h VAL 29 CO 0.00 0.07 0.63 -0.07 0.02 0.00 0.00 177.57 178.22 2q68 h LEU 30 N 0.39 0.93 -0.37 2.57 3.38 -0.41 0.41 115.31 122.20 2q68 h LEU 30 Ca 0.12 0.04 -0.19 0.00 0.09 0.00 0.00 57.88 57.94 2q68 h LEU 30 Cb -0.02 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 2q68 h LEU 30 CO -0.05 0.52 -0.69 0.71 0.09 0.00 0.00 178.44 179.03 2q68 h THR 31 N 1.01 1.34 -0.37 0.22 1.35 -0.72 0.24 112.91 115.98 2q68 h THR 31 Ca 0.47 -2.00 -0.03 0.00 -0.55 0.00 0.00 66.41 64.30 2q68 h THR 31 Cb 0.42 1.98 -0.02 0.00 -1.73 0.00 0.00 68.15 68.80 2q68 h THR 31 CO -0.23 0.61 0.10 0.40 -0.25 0.00 0.00 175.52 176.15 2q68 h ILE 32 N 0.39 1.22 -0.46 6.82 1.08 -0.64 0.38 117.51 126.30 2q68 h ILE 32 Ca -0.02 -0.73 0.05 0.00 -0.39 0.00 0.00 64.86 63.76 2q68 h ILE 32 Cb 1.27 1.00 -0.04 0.00 -3.07 0.00 0.00 36.82 35.98 2q68 h ILE 32 CO 0.13 0.25 0.20 -0.07 -0.69 0.00 0.00 178.15 177.97 2q68 h LEU 33 N 0.44 0.26 -0.82 1.44 4.07 -0.01 0.13 115.31 120.83 2q68 h LEU 33 Ca 0.12 0.04 -0.01 0.00 0.08 0.00 0.00 57.88 58.11 2q68 h LEU 33 Cb 0.28 -0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.98 2q68 h LEU 33 CO -0.00 0.19 0.48 0.74 -1.08 0.00 0.00 178.44 178.76 2q68 h THR 34 N 0.40 1.23 -0.53 0.22 2.02 -0.01 -0.18 112.91 116.06 2q68 h THR 34 Ca 0.21 -0.53 -0.05 0.00 0.77 0.00 0.00 66.41 66.80 2q68 h THR 34 Cb 0.16 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.65 2q68 h THR 34 CO -0.18 0.25 0.13 -0.07 0.37 0.00 0.00 175.52 176.02 2q68 h LEU 35 N 1.12 0.81 -0.01 2.58 4.07 0.58 -0.65 115.31 123.82 2q68 h LEU 35 Ca 0.29 -0.23 -0.00 0.00 0.08 0.00 0.00 57.88 58.02 2q68 h LEU 35 Cb -0.02 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 41.51 2q68 h LEU 35 CO -0.05 0.83 0.00 0.40 -1.08 0.00 0.00 178.44 178.54 2q68 h ILE 36 N 0.75 1.12 -0.53 1.22 2.04 -0.34 0.11 117.51 121.88 2q68 h ILE 36 Ca 0.17 -0.34 0.08 0.00 1.00 0.00 0.00 64.86 65.77 2q68 h ILE 36 Cb 0.34 1.33 -0.06 0.00 -0.74 0.00 0.00 36.82 37.69 2q68 h ILE 36 CO 0.00 0.09 0.17 0.28 0.00 0.00 0.00 178.15 178.69 2q68 h SER 37 N -0.13 0.14 -0.16 1.72 0.02 -0.90 0.14 113.55 114.39 2q68 h SER 37 Ca 0.00 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2q68 h SER 37 Cb 0.14 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 2q68 h SER 37 CO -0.00 0.10 0.11 1.23 -1.14 0.00 0.00 176.83 177.13 2q68 h GLY 38 N 0.34 0.23 0.63 -3.77 0.00 -0.85 0.39 103.07 100.02 2q68 h GLY 38 Ca 0.26 -0.08 0.08 0.00 0.00 0.00 0.00 47.33 47.59 2q68 h GLY 38 CO -0.29 0.08 0.52 -0.84 0.00 0.00 0.00 176.54 176.02 2q68 h THR 39 N 0.22 0.98 0.33 4.70 2.02 0.14 -0.48 112.91 120.83 2q68 h THR 39 Ca 0.06 -0.31 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 2q68 h THR 39 Cb -0.02 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.38 2q68 h THR 39 CO -0.01 0.17 -0.16 0.40 0.37 0.00 0.00 175.52 176.28 2q68 h ILE 40 N 0.91 0.66 -0.32 3.11 2.04 -0.13 -2.48 117.51 121.29 2q68 h ILE 40 Ca 0.39 -0.55 0.07 0.00 1.00 0.00 0.00 64.86 65.78 2q68 h ILE 40 Cb 0.27 0.92 -0.08 0.00 -0.74 0.00 0.00 36.82 37.20 2q68 h ILE 40 CO -0.21 0.10 -0.19 0.15 0.00 0.00 0.00 178.15 178.00 2q68 h PHE 41 N -0.77 -0.48 0.00 1.37 3.57 0.19 -1.73 116.94 119.09 2q68 h PHE 41 Ca -0.05 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 2q68 h PHE 41 Cb 0.51 0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.51 2q68 h PHE 41 CO 0.02 -0.27 -0.17 1.88 -2.23 0.00 0.00 178.31 177.55 2q68 h TYR 42 N -0.15 0.00 -0.21 0.41 -1.99 -1.17 -0.39 116.97 113.47 2q68 h TYR 42 Ca 0.17 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.79 2q68 h TYR 42 Cb 0.40 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.13 2q68 h TYR 42 CO -0.39 0.17 -0.27 0.77 -0.00 0.00 0.00 178.16 178.44 2q68 h SER 43 N 0.00 0.61 0.01 3.88 0.02 -0.85 -2.21 113.55 115.01 2q68 h SER 43 Ca -0.00 -0.50 -0.00 0.00 -0.84 0.00 0.00 61.79 60.45 2q68 h SER 43 Cb 0.56 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.93 2q68 h SER 43 CO 0.02 0.98 -0.01 0.74 -1.14 0.00 0.00 176.83 177.43 2q68 h THR 44 N 0.24 0.00 -0.48 -2.27 2.02 -1.03 -2.48 112.91 108.91 2q68 h THR 44 Ca 0.03 -0.05 -0.05 0.00 0.77 0.00 0.00 66.41 67.11 2q68 h THR 44 Cb 0.83 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 2q68 h THR 44 CO 0.06 0.00 0.08 0.58 0.37 0.00 0.00 175.52 176.62 2q68 h VAL 45 N -0.07 1.22 -0.01 3.16 2.07 -1.27 -3.11 116.25 118.25 2q68 h VAL 45 Ca -0.00 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.69 2q68 h VAL 45 Cb 0.02 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 2q68 h VAL 45 CO 0.00 0.30 -0.68 -0.62 0.02 0.00 0.00 177.57 176.60 2q68 n GLU 46 N -4.27 1.22 -3.39 1.57 -0.58 -1.14 -4.88 120.64 109.17 2q68 n GLU 46 Ca 0.03 -0.35 -0.17 0.00 -0.42 0.00 0.00 57.16 56.26 2q68 n GLU 46 Cb 0.24 -1.36 0.09 0.00 -0.57 0.00 0.00 31.44 29.84 2q68 n GLU 46 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2q68 n GLY 47 N 1.37 -0.40 3.86 0.62 0.00 -0.88 -4.98 105.19 104.78 2q68 n GLY 47 Ca 0.05 0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 2q68 n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2q68 s LEU 48 N -6.21 4.06 0.59 0.99 1.43 -0.92 -4.99 118.68 113.62 2q68 s LEU 48 Ca 0.03 0.03 -0.19 0.00 -1.03 0.00 0.00 54.13 52.98 2q68 s LEU 48 Cb -0.00 -2.66 -0.04 0.00 0.03 0.00 0.00 46.19 43.52 2q68 s LEU 48 CO 0.72 0.08 1.21 -0.13 0.23 0.00 0.00 176.35 178.46 2q68 s ARG 49 N -3.01 2.97 0.23 1.70 0.52 -1.26 -4.30 118.95 115.80 2q68 s ARG 49 Ca 0.32 1.84 -0.11 0.00 -0.52 0.00 0.00 55.73 57.27 2q68 s ARG 49 Cb -0.11 -1.93 0.34 0.00 0.52 0.00 0.00 34.95 33.76 2q68 s ARG 49 CO 0.26 -1.21 1.62 -1.35 0.02 0.00 0.00 175.30 174.64 2q68 h PRO 50 N 0.90 0.03 -0.05 3.54 0.11 -1.95 0.38 132.00 134.96 2q68 h PRO 50 Ca -0.50 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 2q68 h PRO 50 Cb 1.30 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 2q68 h PRO 50 CO 0.55 0.02 -0.08 0.97 -0.21 0.00 0.00 178.00 179.25 2q68 h ILE 51 N 0.03 1.09 0.00 4.15 2.10 -1.96 0.41 117.51 123.33 2q68 h ILE 51 Ca 0.37 -0.41 -0.03 0.00 1.08 0.00 0.00 64.86 65.86 2q68 h ILE 51 Cb 0.59 1.15 -0.01 0.00 -1.09 0.00 0.00 36.82 37.46 2q68 h ILE 51 CO -0.71 0.12 -0.31 0.44 -1.08 0.00 0.00 178.15 176.61 2q68 h ASP 52 N 0.07 0.00 0.57 2.19 3.32 -1.34 -2.18 116.42 119.05 2q68 h ASP 52 Ca 0.02 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.78 2q68 h ASP 52 Cb 0.20 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.76 2q68 h ASP 52 CO 0.01 0.15 -1.29 0.00 -1.72 0.00 0.00 179.24 176.40 2q68 h ALA 53 N 1.85 0.05 -0.34 3.45 0.00 0.01 -2.32 119.26 121.96 2q68 h ALA 53 Ca -0.01 -0.89 -0.10 0.00 0.00 0.00 0.00 54.91 53.92 2q68 h ALA 53 Cb 1.12 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2q68 h ALA 53 CO 0.02 0.93 -0.16 1.25 0.00 0.00 0.00 179.25 181.28 2q68 h LEU 54 N 0.09 0.74 -0.02 0.00 5.85 -0.97 -1.14 115.31 119.85 2q68 h LEU 54 Ca -0.16 -0.41 0.00 0.00 0.84 0.00 0.00 57.88 58.16 2q68 h LEU 54 Cb 2.01 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.83 2q68 h LEU 54 CO 0.22 0.98 0.01 0.22 -0.34 0.00 0.00 178.44 179.53 2q68 h TYR 55 N 0.49 0.02 -0.47 1.25 3.20 -1.44 0.20 116.97 120.23 2q68 h TYR 55 Ca 0.08 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.89 2q68 h TYR 55 Cb 0.70 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.94 2q68 h TYR 55 CO 0.06 0.01 0.06 0.35 -1.64 0.00 0.00 178.16 177.00 2q68 h PHE 56 N 0.02 0.77 -0.51 -3.82 3.57 -1.41 -0.30 116.94 115.26 2q68 h PHE 56 Ca 0.01 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.41 2q68 h PHE 56 Cb -0.00 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.49 2q68 h PHE 56 CO -0.08 0.69 0.26 0.77 -2.23 0.00 0.00 178.31 177.72 2q68 h SER 57 N 0.70 0.66 0.62 0.41 0.02 -0.62 -0.80 113.55 114.55 2q68 h SER 57 Ca 0.15 -0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 2q68 h SER 57 Cb 0.35 -0.17 0.01 0.00 0.14 0.00 0.00 62.40 62.73 2q68 h SER 57 CO 0.01 0.59 -0.30 0.58 -1.14 0.00 0.00 176.83 176.57 2q68 h VAL 58 N 0.68 0.05 -0.23 2.27 2.07 -0.17 0.65 116.25 121.57 2q68 h VAL 58 Ca 0.18 -0.38 0.07 0.00 0.82 0.00 0.00 66.70 67.38 2q68 h VAL 58 Cb 0.10 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.92 2q68 h VAL 58 CO -0.02 0.01 0.22 -0.37 0.02 0.00 0.00 177.57 177.42 2q68 h VAL 59 N -1.20 0.59 0.10 2.57 -1.51 -1.10 -1.21 116.25 114.49 2q68 h VAL 59 Ca -0.09 0.00 -0.17 0.00 -1.23 0.00 0.00 66.70 65.21 2q68 h VAL 59 Cb 0.65 0.83 0.01 0.00 -2.13 0.00 0.00 31.29 30.66 2q68 h VAL 59 CO 0.14 0.00 -0.80 0.74 -1.23 0.00 0.00 177.57 176.42 2q68 h THR 60 N 0.00 1.43 0.00 7.19 2.02 -1.09 0.28 112.91 122.75 2q68 h THR 60 Ca 0.11 -2.45 -0.05 0.00 0.77 0.00 0.00 66.41 64.79 2q68 h THR 60 Cb 0.55 3.08 -0.01 0.00 -1.74 0.00 0.00 68.15 70.03 2q68 h THR 60 CO -0.00 0.67 -0.25 0.25 0.37 0.00 0.00 175.52 176.55 2q68 h LEU 61 N -0.53 0.00 -0.56 2.58 5.85 -0.31 -2.85 115.31 119.49 2q68 h LEU 61 Ca -0.16 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.56 2q68 h LEU 61 Cb 1.51 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.54 2q68 h LEU 61 CO 0.08 0.25 -0.33 0.35 -0.34 0.00 0.00 178.44 178.45 2q68 n THR 62 N -3.64 0.00 -1.08 1.05 -2.24 -0.51 -4.69 114.28 103.18 2q68 n THR 62 Ca -0.01 -0.15 -0.03 0.00 -2.27 0.00 0.00 64.05 61.60 2q68 n THR 62 Cb 0.38 0.58 -0.01 0.00 -2.10 0.00 0.00 70.33 69.18 2q68 n THR 62 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2q68 n THR 63 N -0.58 0.00 -0.03 4.28 -2.24 -1.08 -4.92 114.28 109.71 2q68 n THR 63 Ca 0.11 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.76 2q68 n THR 63 Cb 0.37 -0.58 -0.09 0.00 -2.10 0.00 0.00 70.33 67.93 2q68 n THR 63 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2q68 h VAL 64 N 0.00 1.41 0.00 2.28 2.07 -1.50 -3.50 116.25 117.01 2q68 h VAL 64 Ca -0.06 -1.36 0.00 0.00 0.82 0.00 0.00 66.70 66.11 2q68 h VAL 64 Cb 0.29 2.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 2q68 h VAL 64 CO 0.08 0.37 0.00 0.61 0.02 0.00 0.00 177.57 178.66 2q68 n GLY 65 N 0.37 0.21 3.80 2.17 0.00 0.88 -5.02 105.19 107.60 2q68 n GLY 65 Ca -0.08 -1.42 -0.38 0.00 0.00 0.00 0.00 46.02 44.14 2q68 n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q68 s ALA 66 N -1.41 3.47 -0.50 4.61 0.00 -1.26 -4.91 121.76 121.76 2q68 s ALA 66 Ca 0.00 0.22 0.24 0.00 0.00 0.00 0.00 51.96 52.42 2q68 s ALA 66 Cb 0.00 -2.84 0.51 0.00 0.00 0.00 0.00 23.12 20.79 2q68 s ALA 66 CO 0.00 0.33 1.67 0.78 0.00 0.00 0.00 175.76 178.54 2q68 h GLY 67 N 4.06 0.00 0.00 0.00 0.00 -2.01 -3.42 103.07 101.69 2q68 h GLY 67 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 2q68 h GLY 67 CO 0.65 0.00 -0.03 0.70 0.00 0.00 0.00 176.54 177.86 2q68 n ASN 68 N -2.87 0.15 -4.85 0.19 3.02 -1.26 -5.11 115.26 104.53 2q68 n ASN 68 Ca 0.04 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.27 2q68 n ASN 68 Cb 0.49 0.01 -0.06 0.00 -0.61 0.00 0.00 39.78 39.61 2q68 n ASN 68 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2q68 s PHE 69 N -1.03 3.38 -0.21 3.10 5.36 -1.26 -5.08 117.98 122.24 2q68 s PHE 69 Ca 0.00 1.30 -0.27 0.00 -0.96 0.00 0.00 56.93 57.01 2q68 s PHE 69 Cb 0.00 -2.62 0.08 0.00 -0.34 0.00 0.00 43.02 40.14 2q68 s PHE 69 CO 0.00 -0.02 0.74 -1.83 -1.46 0.00 0.00 175.22 172.65 2q68 s GLU 70 N -3.24 0.87 0.08 10.12 -1.05 -1.26 -4.74 118.70 119.49 2q68 s GLU 70 Ca 0.56 0.75 -0.37 0.00 -0.15 0.00 0.00 54.97 55.76 2q68 s GLU 70 Cb -0.10 0.42 -0.18 0.00 -0.44 0.00 0.00 34.13 33.84 2q68 s GLU 70 CO 0.19 -0.16 1.19 -2.30 0.95 0.00 0.00 175.26 175.13 2q68 n PRO 71 N 2.12 0.75 -0.03 -4.83 -0.02 -1.26 -4.90 135.00 126.83 2q68 n PRO 71 Ca -0.15 0.27 -0.07 0.00 -2.02 0.00 0.00 63.50 61.53 2q68 n PRO 71 Cb 0.56 -1.81 -0.13 0.00 -0.02 0.00 0.00 33.50 32.09 2q68 n PRO 71 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2q68 n GLN 72 N 2.00 0.64 -3.24 -0.52 1.13 -1.26 -4.74 117.38 111.39 2q68 n GLN 72 Ca 0.18 0.23 -0.24 0.00 -1.94 0.00 0.00 57.00 55.23 2q68 n GLN 72 Cb 0.17 -1.75 -0.01 0.00 0.11 0.00 0.00 30.24 28.76 2q68 n GLN 72 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2q68 s THR 73 N -2.65 4.96 0.30 5.09 -4.23 -1.26 -4.99 115.64 112.85 2q68 s THR 73 Ca -0.05 -0.38 0.06 0.00 -1.18 0.00 0.00 61.69 60.13 2q68 s THR 73 Cb 0.08 -3.82 0.05 0.00 1.34 0.00 0.00 72.50 70.14 2q68 s THR 73 CO 0.82 -0.57 1.71 0.44 -0.54 0.00 0.00 174.62 176.48 2q68 h ASP 74 N 0.65 0.30 -0.30 3.99 3.45 -1.99 -1.64 116.42 120.88 2q68 h ASP 74 Ca -0.49 -0.12 -0.05 0.00 0.43 0.00 0.00 57.03 56.80 2q68 h ASP 74 Cb 1.22 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 39.90 2q68 h ASP 74 CO 0.61 0.65 -0.02 0.15 -1.57 0.00 0.00 179.24 179.05 2q68 h PHE 75 N 0.25 0.60 -0.70 4.55 3.57 -1.98 -1.34 116.94 121.88 2q68 h PHE 75 Ca 0.03 -0.11 0.02 0.00 3.53 0.00 0.00 57.97 61.44 2q68 h PHE 75 Cb 0.77 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.32 2q68 h PHE 75 CO 0.02 0.70 0.45 0.78 -2.23 0.00 0.00 178.31 178.02 2q68 h GLY 76 N 0.32 1.00 0.94 2.40 0.00 -1.84 -0.02 103.07 105.87 2q68 h GLY 76 Ca 0.08 -0.34 -0.05 0.00 0.00 0.00 0.00 47.33 47.01 2q68 h GLY 76 CO 0.02 0.31 0.03 0.50 0.00 0.00 0.00 176.54 177.40 2q68 h LYS 77 N 0.89 0.67 -0.41 4.80 1.57 -1.16 0.39 116.57 123.31 2q68 h LYS 77 Ca 0.27 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 2q68 h LYS 77 Cb -0.02 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 2q68 h LYS 77 CO -0.09 0.74 0.13 0.82 -0.57 0.00 0.00 179.45 180.49 2q68 h ILE 78 N 0.50 1.21 -0.17 1.86 2.04 -0.98 -1.53 117.51 120.45 2q68 h ILE 78 Ca 0.11 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.28 2q68 h ILE 78 Cb 0.42 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 2q68 h ILE 78 CO 0.01 0.25 0.11 0.15 0.00 0.00 0.00 178.15 178.67 2q68 h PHE 79 N 0.52 0.20 -0.82 1.37 3.04 -0.85 -2.40 116.94 118.02 2q68 h PHE 79 Ca 0.13 0.01 0.09 0.00 3.98 0.00 0.00 57.97 62.18 2q68 h PHE 79 Cb 0.25 -0.07 -0.07 0.00 2.56 0.00 0.00 35.95 38.62 2q68 h PHE 79 CO 0.01 0.13 0.47 1.15 -2.02 0.00 0.00 178.31 178.04 2q68 h THR 80 N 0.22 0.91 -0.00 4.41 2.02 -0.69 0.34 112.91 120.12 2q68 h THR 80 Ca 0.06 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.97 2q68 h THR 80 Cb -0.02 0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 66.45 2q68 h THR 80 CO -0.02 0.14 0.00 0.40 0.37 0.00 0.00 175.52 176.42 2q68 h ILE 81 N 0.78 1.01 -0.60 3.11 2.04 -0.96 -0.08 117.51 122.81 2q68 h ILE 81 Ca 0.39 -0.03 -0.06 0.00 1.00 0.00 0.00 64.86 66.16 2q68 h ILE 81 Cb 0.36 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 2q68 h ILE 81 CO -0.25 0.01 0.12 -0.07 0.00 0.00 0.00 178.15 177.96 2q68 h LEU 82 N -0.01 0.90 -0.43 1.44 -0.00 -0.89 -2.84 115.31 113.48 2q68 h LEU 82 Ca 0.00 -0.19 0.05 0.00 -0.00 0.00 0.00 57.88 57.75 2q68 h LEU 82 Cb 0.01 -0.24 -0.05 0.00 -0.00 0.00 0.00 40.66 40.39 2q68 h LEU 82 CO -0.00 0.89 0.16 0.22 -0.00 0.00 0.00 178.44 179.71 2q68 h TYR 83 N 0.91 0.28 -0.75 1.13 3.20 0.08 -0.94 116.97 120.88 2q68 h TYR 83 Ca 0.19 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.10 2q68 h TYR 83 Cb 0.36 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.53 2q68 h TYR 83 CO 0.02 0.11 0.49 0.82 -1.64 0.00 0.00 178.16 177.96 2q68 h ILE 84 N 0.33 1.16 0.00 1.81 2.04 -0.79 -0.76 117.51 121.30 2q68 h ILE 84 Ca 0.20 -0.34 -0.08 0.00 1.00 0.00 0.00 64.86 65.64 2q68 h ILE 84 Cb 0.18 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 2q68 h ILE 84 CO -0.20 0.18 -0.40 -0.26 0.00 0.00 0.00 178.15 177.47 2q68 h PHE 85 N 0.99 0.00 -0.25 1.37 -1.00 -1.16 0.29 116.94 117.17 2q68 h PHE 85 Ca 0.29 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 61.04 2q68 h PHE 85 Cb -0.07 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.48 2q68 h PHE 85 CO -0.03 0.40 0.07 0.82 -1.61 0.00 0.00 178.31 177.96 2q68 h ILE 86 N 0.00 1.21 -0.48 -0.55 2.04 -0.44 0.11 117.51 119.39 2q68 h ILE 86 Ca -0.00 -0.67 0.06 0.00 1.00 0.00 0.00 64.86 65.25 2q68 h ILE 86 Cb 0.75 1.17 -0.06 0.00 -0.74 0.00 0.00 36.82 37.95 2q68 h ILE 86 CO 0.05 0.22 0.17 1.23 0.00 0.00 0.00 178.15 179.82 2q68 h GLY 87 N 0.24 0.64 0.97 5.37 0.00 -0.34 0.15 103.07 110.09 2q68 h GLY 87 Ca 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 2q68 h GLY 87 CO -0.00 0.01 0.23 -2.22 0.00 0.00 0.00 176.54 174.56 2q68 h ILE 88 N 0.35 1.16 -0.85 2.60 1.08 -0.69 -1.35 117.51 119.80 2q68 h ILE 88 Ca 0.23 -0.41 0.10 0.00 -0.39 0.00 0.00 64.86 64.39 2q68 h ILE 88 Cb 0.24 0.66 -0.07 0.00 -3.07 0.00 0.00 36.82 34.58 2q68 h ILE 88 CO -0.24 0.17 0.49 1.23 -0.69 0.00 0.00 178.15 179.11 2q68 h GLY 89 N 0.55 1.32 0.80 5.37 0.00 0.37 -0.84 103.07 110.64 2q68 h GLY 89 Ca 0.15 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 2q68 h GLY 89 CO -0.02 0.13 0.02 1.41 0.00 0.00 0.00 176.54 178.08 2q68 h LEU 90 N 0.82 0.13 -0.85 3.11 4.07 -0.36 -2.30 115.31 119.92 2q68 h LEU 90 Ca 0.41 -0.24 0.01 0.00 0.08 0.00 0.00 57.88 58.15 2q68 h LEU 90 Cb 0.38 -0.03 -0.04 0.00 1.08 0.00 0.00 40.66 42.04 2q68 h LEU 90 CO -0.25 0.33 0.56 0.58 -1.08 0.00 0.00 178.44 178.58 2q68 h VAL 91 N -0.08 1.20 -0.89 1.22 2.07 -0.77 0.32 116.25 119.33 2q68 h VAL 91 Ca 0.03 -0.39 0.02 0.00 0.82 0.00 0.00 66.70 67.18 2q68 h VAL 91 Cb 0.25 -0.04 -0.05 0.00 -1.52 0.00 0.00 31.29 29.94 2q68 h VAL 91 CO 0.00 0.21 0.59 -0.26 0.02 0.00 0.00 177.57 178.13 2q68 h PHE 92 N 1.14 1.10 0.18 1.57 0.05 -1.13 0.37 116.94 120.22 2q68 h PHE 92 Ca 0.32 0.03 -0.00 0.00 3.82 0.00 0.00 57.97 62.13 2q68 h PHE 92 Cb -0.10 -0.37 -0.00 0.00 2.00 0.00 0.00 35.95 37.47 2q68 h PHE 92 CO -0.01 0.66 -0.11 0.78 -0.18 0.00 0.00 178.31 179.45 2q68 h GLY 93 N 1.16 -0.28 1.01 -1.45 0.00 -0.40 0.24 103.07 103.35 2q68 h GLY 93 Ca 0.34 0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.79 2q68 h GLY 93 CO -0.09 -0.12 0.42 0.74 0.00 0.00 0.00 176.54 177.49 2q68 h PHE 94 N -0.28 0.96 -0.26 5.60 0.04 -0.81 -1.77 116.94 120.42 2q68 h PHE 94 Ca -0.01 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.74 2q68 h PHE 94 Cb 0.24 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 2q68 h PHE 94 CO -0.09 0.66 0.15 0.82 -0.60 0.00 0.00 178.31 179.25 2q68 h ILE 95 N 0.99 1.11 -0.74 -0.55 2.04 -0.63 -0.04 117.51 119.69 2q68 h ILE 95 Ca 0.26 -0.29 0.04 0.00 1.00 0.00 0.00 64.86 65.86 2q68 h ILE 95 Cb -0.00 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 2q68 h ILE 95 CO -0.05 0.11 0.49 -0.74 0.00 0.00 0.00 178.15 177.96 2q68 h HIS 96 N 0.31 0.85 -0.20 1.37 2.76 -0.31 -0.98 115.15 118.95 2q68 h HIS 96 Ca 0.09 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.27 2q68 h HIS 96 Cb 0.05 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 28.72 2q68 h HIS 96 CO -0.04 0.48 0.07 0.87 -1.30 0.00 0.00 177.93 178.02 2q68 h LYS 97 N 0.87 0.30 0.00 5.26 1.79 -0.54 -1.49 116.57 122.76 2q68 h LYS 97 Ca 0.30 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 58.71 2q68 h LYS 97 Cb 0.10 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 30.70 2q68 h LYS 97 CO -0.09 0.39 -0.01 -0.07 -1.08 0.00 0.00 179.45 178.60 2q68 h LEU 98 N 0.16 0.00 -0.57 2.94 4.07 -0.18 -0.64 115.31 121.09 2q68 h LEU 98 Ca 0.06 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.02 2q68 h LEU 98 Cb 0.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.95 2q68 h LEU 98 CO -0.00 0.01 -0.56 0.00 -1.08 0.00 0.00 178.44 176.81 2q68 n ALA 99 N -2.09 3.75 -0.06 1.53 0.00 -0.45 -3.54 120.51 119.63 2q68 n ALA 99 Ca -0.01 -0.56 -0.03 0.00 0.00 0.00 0.00 53.44 52.84 2q68 n ALA 99 Cb 0.19 -0.89 -0.15 0.00 0.00 0.00 0.00 19.45 18.60 2q68 n ALA 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2q68 n VAL 100 N -0.63 0.82 0.72 0.00 0.31 -0.60 -4.31 118.33 114.63 2q68 n VAL 100 Ca 0.08 -0.66 0.13 0.00 -0.01 0.00 0.00 64.34 63.88 2q68 n VAL 100 Cb 0.40 -0.32 0.36 0.00 -0.91 0.00 0.00 33.84 33.36 2q68 n VAL 100 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2q68 n ASN 101 N -2.50 0.59 0.04 4.52 4.13 -0.33 -3.39 115.26 118.33 2q68 n ASN 101 Ca -0.21 0.33 -0.14 0.00 1.68 0.00 0.00 54.58 56.24 2q68 n ASN 101 Cb 0.89 -0.33 -0.04 0.00 -1.54 0.00 0.00 39.78 38.76 2q68 n ASN 101 CO 0.00 0.00 0.00 -0.37 0.28 0.00 0.00 177.26 177.17 2q68 h VAL 102 N 0.00 1.35 -0.01 2.41 -1.51 -1.75 -3.51 116.25 113.24 2q68 h VAL 102 Ca 0.00 -2.26 0.00 0.00 -1.23 0.00 0.00 66.70 63.21 2q68 h VAL 102 Cb 0.67 2.27 0.00 0.00 -2.13 0.00 0.00 31.29 32.10 2q68 h VAL 102 CO 0.00 0.69 0.00 0.00 -1.23 0.00 0.00 177.57 177.03