#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh4 n LEU 3 N 0.00 -0.05 0.05 3.14 0.00 -1.26 0.25 117.00 119.14 2wh4 n LEU 3 Ca 0.00 0.14 -0.13 0.00 0.00 0.00 0.00 56.01 56.02 2wh4 n LEU 3 Cb 0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 43.42 43.31 2wh4 n LEU 3 CO 0.00 -0.13 0.79 0.77 0.00 0.00 0.00 177.39 178.82 2wh4 h SER 4 N 0.00 -0.05 -0.69 1.96 4.64 -2.05 -2.56 113.55 114.79 2wh4 h SER 4 Ca 0.03 -0.12 0.14 0.00 -0.47 0.00 0.00 61.79 61.37 2wh4 h SER 4 Cb 0.05 0.01 -0.13 0.00 -0.31 0.00 0.00 62.40 62.02 2wh4 h SER 4 CO -0.08 0.09 -0.19 -0.33 -0.87 0.00 0.00 176.83 175.45 2wh4 h GLU 5 N -0.19 -0.01 -0.72 4.77 5.08 0.30 -1.37 114.58 122.44 2wh4 h GLU 5 Ca -0.01 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.44 2wh4 h GLU 5 Cb 0.17 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.31 2wh4 h GLU 5 CO 0.01 -0.01 -0.50 0.28 -1.00 0.00 0.00 179.01 177.79 2wh4 h VAL 6 N -0.01 0.03 -0.24 3.13 2.07 -0.88 0.91 116.25 121.25 2wh4 h VAL 6 Ca 0.33 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.87 2wh4 h VAL 6 Cb 0.52 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 2wh4 h VAL 6 CO -0.72 0.00 0.08 0.03 0.02 0.00 0.00 177.57 176.99 2wh4 h ARG 7 N -0.17 0.19 -0.02 1.57 -0.00 -1.21 -1.36 114.38 113.38 2wh4 h ARG 7 Ca 0.17 -0.01 0.02 0.00 -0.50 0.00 0.00 59.98 59.66 2wh4 h ARG 7 Cb 0.53 -0.04 -0.05 0.00 0.00 0.00 0.00 29.97 30.41 2wh4 h ARG 7 CO -0.78 0.13 -0.46 0.87 0.00 0.00 0.00 179.97 179.73 2wh4 h LYS 8 N 0.20 -0.54 -0.30 0.04 1.57 -0.20 0.50 116.57 117.84 2wh4 h LYS 8 Ca 0.10 0.04 0.09 0.00 -1.87 0.00 0.00 60.65 59.01 2wh4 h LYS 8 Cb 0.07 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2wh4 h LYS 8 CO -0.10 -0.36 0.39 1.96 -0.57 0.00 0.00 179.45 180.77 2wh4 h GLN 9 N -0.56 0.00 0.06 3.15 4.20 0.95 0.22 115.11 123.13 2wh4 h GLN 9 Ca 0.01 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 2wh4 h GLN 9 Cb 0.61 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.39 2wh4 h GLN 9 CO -0.31 0.00 -0.03 -0.07 -0.67 0.00 0.00 178.83 177.75 2wh4 h LEU 10 N 0.00 -0.07 -0.91 1.46 3.38 0.20 -2.92 115.31 116.46 2wh4 h LEU 10 Ca 0.14 0.00 0.22 0.00 0.09 0.00 0.00 57.88 58.34 2wh4 h LEU 10 Cb 0.93 0.02 -0.17 0.00 0.09 0.00 0.00 40.66 41.53 2wh4 h LEU 10 CO -0.00 0.21 -0.03 -0.33 0.09 0.00 0.00 178.44 178.37 2wh4 h GLU 11 N -0.58 0.04 -0.61 1.13 5.08 0.93 1.15 114.58 121.71 2wh4 h GLU 11 Ca -0.01 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2wh4 h GLU 11 Cb 0.06 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 2wh4 h GLU 11 CO 0.01 0.02 0.40 0.93 -1.00 0.00 0.00 179.01 179.38 2wh4 h GLU 12 N 0.04 0.80 0.00 2.33 5.08 -0.74 -2.68 114.58 119.41 2wh4 h GLU 12 Ca 0.52 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 2wh4 h GLU 12 Cb 0.97 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.04 2wh4 h GLU 12 CO -0.86 0.54 -0.28 0.00 -1.00 0.00 0.00 179.01 177.41 2wh4 n ALA 13 N -2.27 2.91 1.61 3.43 0.00 0.14 -3.28 120.51 123.06 2wh4 n ALA 13 Ca 0.04 -0.22 0.13 0.00 0.00 0.00 0.00 53.44 53.40 2wh4 n ALA 13 Cb 0.02 -1.29 0.77 0.00 0.00 0.00 0.00 19.45 18.95 2wh4 n ALA 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wh4 n ARG 14 N -1.61 0.78 -3.41 0.00 1.74 0.35 -3.93 116.66 110.57 2wh4 n ARG 14 Ca 0.06 0.01 -0.27 0.00 -0.77 0.00 0.00 57.85 56.88 2wh4 n ARG 14 Cb 0.35 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.20 2wh4 n ARG 14 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 2wh4 n LYS 15 N -1.03 0.39 0.00 5.56 2.85 -1.20 -4.91 118.16 119.82 2wh4 n LYS 15 Ca 0.19 -3.29 0.00 0.00 -1.05 0.00 0.00 58.31 54.16 2wh4 n LYS 15 Cb 0.10 -1.67 0.00 0.00 -0.65 0.00 0.00 35.03 32.81 2wh4 n LYS 15 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2wh4 n LEU 16 N 2.59 0.00 -1.98 -5.58 4.77 -1.25 -4.99 117.00 110.56 2wh4 n LEU 16 Ca 0.28 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 2wh4 n LEU 16 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2wh4 n LEU 16 CO 0.11 0.13 -0.45 -1.54 -1.33 0.00 0.00 177.39 174.31 2wh4 n SER 17 N 0.00 -8.72 -0.18 -1.43 3.41 -1.26 -3.67 113.62 101.77 2wh4 n SER 17 Ca 0.00 1.38 -0.01 0.00 -0.26 0.00 0.00 58.87 59.98 2wh4 n SER 17 Cb 0.37 -4.95 0.01 0.00 -0.26 0.00 0.00 64.21 59.38 2wh4 n SER 17 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2wh4 n PRO 18 N 1.12 -0.12 -0.13 4.33 -0.04 -1.26 -1.59 135.00 137.31 2wh4 n PRO 18 Ca 0.00 0.70 -0.09 0.00 -0.04 0.00 0.00 63.50 64.07 2wh4 n PRO 18 Cb 0.00 -1.04 -0.07 0.00 -0.04 0.00 0.00 33.50 32.35 2wh4 n PRO 18 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2wh4 h VAL 19 N 0.00 0.00 -0.62 0.52 2.07 -2.02 0.42 116.25 116.62 2wh4 h VAL 19 Ca 0.15 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.81 2wh4 h VAL 19 Cb 0.26 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.00 2wh4 h VAL 19 CO -0.45 0.00 0.43 -0.08 0.02 0.00 0.00 177.57 177.49 2wh4 h GLU 20 N -0.22 0.23 0.06 1.57 4.57 -1.37 -1.97 114.58 117.45 2wh4 h GLU 20 Ca 0.06 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.24 2wh4 h GLU 20 Cb 0.38 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.89 2wh4 h GLU 20 CO -0.44 0.15 -0.17 -0.07 -1.18 0.00 0.00 179.01 177.30 2wh4 h LEU 21 N 0.23 -0.49 0.18 1.64 3.38 -0.81 -1.76 115.31 117.68 2wh4 h LEU 21 Ca 0.30 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.34 2wh4 h LEU 21 Cb 0.85 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 2wh4 h LEU 21 CO -0.06 -0.24 -0.29 -0.33 0.09 0.00 0.00 178.44 177.61 2wh4 h GLU 22 N -0.31 -0.53 -0.99 1.13 5.08 -0.99 -1.50 114.58 116.47 2wh4 h GLU 22 Ca 0.04 0.04 0.26 0.00 -1.00 0.00 0.00 59.36 58.69 2wh4 h GLU 22 Cb 0.35 0.12 -0.19 0.00 0.50 0.00 0.00 28.75 29.54 2wh4 h GLU 22 CO -0.12 -0.35 -0.03 1.63 -1.00 0.00 0.00 179.01 179.13 2wh4 n LYS 23 N -5.40 -0.08 0.24 2.33 5.02 -1.03 -1.11 118.16 118.12 2wh4 n LYS 23 Ca -0.07 1.49 -0.10 0.00 -2.02 0.00 0.00 58.31 57.61 2wh4 n LYS 23 Cb 0.31 -2.34 -0.05 0.00 -0.02 0.00 0.00 35.03 32.93 2wh4 n LYS 23 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2wh4 h LEU 24 N 0.00 -0.53 -0.76 -0.35 6.46 -0.74 -2.98 115.31 116.40 2wh4 h LEU 24 Ca 0.57 0.02 0.08 0.00 -0.12 0.00 0.00 57.88 58.43 2wh4 h LEU 24 Cb 1.13 0.14 -0.10 0.00 -0.73 0.00 0.00 40.66 41.10 2wh4 h LEU 24 CO -0.95 -0.33 -0.41 0.52 -0.62 0.00 0.00 178.44 176.66 2wh4 n VAL 25 N -3.95 -0.49 -0.14 1.05 0.31 -0.27 0.79 118.33 115.63 2wh4 n VAL 25 Ca -0.08 1.83 -0.13 0.00 -0.01 0.00 0.00 64.34 65.95 2wh4 n VAL 25 Cb 0.25 -2.30 -0.09 0.00 -0.91 0.00 0.00 33.84 30.78 2wh4 n VAL 25 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2wh4 h ARG 26 N 0.00 -0.37 -0.67 5.55 3.08 -1.32 0.84 114.38 121.48 2wh4 h ARG 26 Ca 0.16 0.03 0.14 0.00 0.07 0.00 0.00 59.98 60.38 2wh4 h ARG 26 Cb 0.35 0.08 -0.13 0.00 0.08 0.00 0.00 29.97 30.36 2wh4 h ARG 26 CO -0.73 -0.25 -0.13 0.93 -1.07 0.00 0.00 179.97 178.72 2wh4 h GLU 27 N -0.38 0.02 -0.08 0.04 5.08 0.54 0.21 114.58 120.00 2wh4 h GLU 27 Ca 0.09 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.48 2wh4 h GLU 27 Cb 0.60 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 2wh4 h GLU 27 CO -0.60 0.01 -0.11 0.87 -1.00 0.00 0.00 179.01 178.18 2wh4 h LYS 28 N 0.02 -0.15 0.00 2.33 1.79 0.13 0.21 116.57 120.90 2wh4 h LYS 28 Ca 0.33 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.81 2wh4 h LYS 28 Cb 0.52 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 2wh4 h LYS 28 CO -0.67 -0.10 0.04 1.63 -1.08 0.00 0.00 179.45 179.27 2wh4 n LYS 29 N -5.25 0.00 -0.06 3.15 4.76 0.26 -1.35 118.16 119.68 2wh4 n LYS 29 Ca -0.04 0.31 -0.04 0.00 -2.87 0.00 0.00 58.31 55.66 2wh4 n LYS 29 Cb 0.17 -1.54 -0.01 0.00 -1.84 0.00 0.00 35.03 31.81 2wh4 n LYS 29 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 2wh4 n ARG 30 N -1.29 0.34 -0.33 1.97 0.63 0.67 -3.41 116.66 115.24 2wh4 n ARG 30 Ca 0.00 0.36 0.26 0.00 -0.92 0.00 0.00 57.85 57.54 2wh4 n ARG 30 Cb 0.04 -1.35 0.50 0.00 0.45 0.00 0.00 32.46 32.10 2wh4 n ARG 30 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2wh4 h GLU 31 N -0.72 0.19 0.53 -0.14 5.08 -0.84 0.33 114.58 119.01 2wh4 h GLU 31 Ca 0.00 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 2wh4 h GLU 31 Cb 0.48 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.69 2wh4 h GLU 31 CO 0.00 0.12 -0.26 1.25 -1.00 0.00 0.00 179.01 179.13 2wh4 h LEU 32 N 0.19 -0.61 0.00 1.33 6.46 -1.40 0.39 115.31 121.68 2wh4 h LEU 32 Ca 0.76 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 58.53 2wh4 h LEU 32 Cb 1.84 0.16 0.00 0.00 -0.73 0.00 0.00 40.66 41.92 2wh4 h LEU 32 CO -0.68 -0.41 0.00 0.80 -0.62 0.00 0.00 178.44 177.53 2wh4 n MET 33 N -5.39 0.00 -0.21 1.25 1.56 0.89 0.05 117.12 115.27 2wh4 n MET 33 Ca -0.12 0.50 0.01 0.00 -0.27 0.00 0.00 57.70 57.82 2wh4 n MET 33 Cb 0.30 -1.41 0.05 0.00 2.15 0.00 0.00 33.22 34.31 2wh4 n MET 33 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 2wh4 n GLU 34 N -1.89 -0.09 0.00 2.12 4.07 0.33 0.16 120.64 125.34 2wh4 n GLU 34 Ca 0.00 0.88 0.00 0.00 -0.06 0.00 0.00 57.16 57.98 2wh4 n GLU 34 Cb 0.00 -1.31 0.00 0.00 -0.06 0.00 0.00 31.44 30.07 2wh4 n GLU 34 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 2wh4 n LEU 35 N -4.88 0.00 0.00 4.31 0.00 0.14 -1.18 117.00 115.38 2wh4 n LEU 35 Ca 0.07 0.74 0.00 0.00 0.00 0.00 0.00 56.01 56.83 2wh4 n LEU 35 Cb 0.26 -0.24 0.00 0.00 0.00 0.00 0.00 43.42 43.43 2wh4 n LEU 35 CO -0.07 -0.24 0.32 -2.11 0.00 0.00 0.00 177.39 175.28 2wh4 n ARG 36 N -1.48 0.00 -0.07 1.96 1.85 0.11 -0.79 116.66 118.24 2wh4 n ARG 36 Ca 0.00 0.15 -0.10 0.00 -1.00 0.00 0.00 57.85 56.90 2wh4 n ARG 36 Cb 0.00 -1.57 -0.07 0.00 -1.05 0.00 0.00 32.46 29.76 2wh4 n ARG 36 CO 0.00 0.00 0.00 0.35 -0.01 0.00 0.00 177.63 177.97 2wh4 h PHE 37 N 0.00 0.00 0.00 2.89 3.57 0.12 -3.11 116.94 120.42 2wh4 h PHE 37 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2wh4 h PHE 37 Cb 0.15 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.89 2wh4 h PHE 37 CO 0.00 0.65 0.00 -0.56 -2.23 0.00 0.00 178.31 176.17 2wh4 h GLN 38 N -1.00 0.00 -0.43 1.11 3.07 -0.19 -2.69 115.11 114.98 2wh4 h GLN 38 Ca -0.06 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.62 2wh4 h GLN 38 Cb 0.69 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.23 2wh4 h GLN 38 CO -0.04 0.00 0.06 0.00 0.09 0.00 0.00 178.83 178.94 2wh4 h ALA 39 N 2.15 0.58 -0.16 0.06 0.00 -1.14 -3.08 119.26 117.66 2wh4 h ALA 39 Ca 0.00 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 2wh4 h ALA 39 Cb 0.48 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2wh4 h ALA 39 CO 0.00 0.31 -0.14 0.66 0.00 0.00 0.00 179.25 180.08 2wh4 h SER 40 N 0.58 0.25 -0.48 0.00 4.64 -1.40 -1.62 113.55 115.52 2wh4 h SER 40 Ca 0.13 -0.06 -0.25 0.00 -0.47 0.00 0.00 61.79 61.15 2wh4 h SER 40 Cb 0.40 -0.07 -0.15 0.00 -0.31 0.00 0.00 62.40 62.28 2wh4 h SER 40 CO 0.01 0.42 0.32 2.30 -0.87 0.00 0.00 176.83 179.01 2wh4 n ILE 41 N -4.25 2.06 0.00 0.95 -5.35 -1.16 -4.96 119.36 106.64 2wh4 n ILE 41 Ca -0.01 -0.92 0.00 0.00 -0.27 0.00 0.00 62.75 61.55 2wh4 n ILE 41 Cb 0.28 -0.74 0.00 0.00 -1.74 0.00 0.00 39.64 37.44 2wh4 n ILE 41 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wh4 n GLY 42 N -0.29 1.02 0.23 3.28 0.00 -0.61 -4.68 105.19 104.14 2wh4 n GLY 42 Ca 0.29 0.67 -0.01 0.00 0.00 0.00 0.00 46.02 46.96 2wh4 n GLY 42 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wh4 n GLN 43 N 0.00 0.00 0.00 1.61 6.02 -1.26 -3.73 117.38 120.02 2wh4 n GLN 43 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2wh4 n GLN 43 Cb 0.00 -0.07 0.00 0.00 1.02 0.00 0.00 30.24 31.19 2wh4 n GLN 43 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2wh4 n LEU 44 N 0.37 0.00 0.00 1.08 4.77 -1.26 -4.95 117.00 117.02 2wh4 n LEU 44 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 2wh4 n LEU 44 Cb 0.01 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2wh4 n LEU 44 CO 0.07 0.00 0.00 -1.54 -1.33 0.00 0.00 177.39 174.59 2wh4 n SER 45 N 0.00 0.00 -3.96 -1.43 3.41 -1.24 -3.45 113.62 106.95 2wh4 n SER 45 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.31 2wh4 n SER 45 Cb 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.83 2wh4 n SER 45 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2wh4 s GLN 46 N 0.00 2.44 0.00 4.33 -1.52 -1.26 -5.07 119.66 118.59 2wh4 s GLN 46 Ca 0.00 -3.06 0.00 0.00 -1.95 0.00 0.00 55.36 50.35 2wh4 s GLN 46 Cb 0.00 -3.49 0.00 0.00 -0.22 0.00 0.00 33.01 29.30 2wh4 s GLN 46 CO 0.00 -1.22 0.00 0.09 -0.25 0.00 0.00 175.29 173.91 2wh4 n ASN 47 N 2.48 0.00 0.00 5.90 3.02 -1.26 -2.96 115.26 122.44 2wh4 n ASN 47 Ca 0.15 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 2wh4 n ASN 47 Cb 0.35 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.52 2wh4 n ASN 47 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wh4 n HIS 48 N 0.00 0.00 -0.34 3.10 1.44 -1.26 -2.34 115.22 115.83 2wh4 n HIS 48 Ca 0.00 0.00 0.25 0.00 -2.01 0.00 0.00 57.72 55.96 2wh4 n HIS 48 Cb 0.00 0.00 0.49 0.00 0.12 0.00 0.00 29.99 30.60 2wh4 n HIS 48 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 2wh4 h LYS 49 N 0.00 0.28 0.33 -1.40 1.79 -1.97 0.34 116.57 115.95 2wh4 h LYS 49 Ca 0.00 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.44 2wh4 h LYS 49 Cb 0.00 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.59 2wh4 h LYS 49 CO 0.00 0.19 -0.16 0.82 -1.08 0.00 0.00 179.45 179.22 2wh4 h ILE 50 N 0.29 0.00 -0.78 1.86 5.03 -1.75 -2.46 117.51 119.70 2wh4 h ILE 50 Ca 0.75 -0.30 0.05 0.00 -0.12 0.00 0.00 64.86 65.23 2wh4 h ILE 50 Cb 1.76 0.00 -0.05 0.00 -3.03 0.00 0.00 36.82 35.50 2wh4 h ILE 50 CO -0.60 0.00 0.51 0.08 -0.68 0.00 0.00 178.15 177.46 2wh4 h ARG 51 N -0.75 0.87 -0.14 2.37 0.11 -1.65 -0.12 114.38 115.07 2wh4 h ARG 51 Ca -0.05 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 59.98 2wh4 h ARG 51 Cb 0.34 -0.20 -0.01 0.00 1.11 0.00 0.00 29.97 31.22 2wh4 h ARG 51 CO 0.08 0.58 0.09 -0.44 0.10 0.00 0.00 179.97 180.37 2wh4 h ASP 52 N 0.90 0.16 0.36 0.08 3.32 -0.44 -1.28 116.42 119.52 2wh4 h ASP 52 Ca 0.32 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 2wh4 h ASP 52 Cb 0.14 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 2wh4 h ASP 52 CO -0.10 0.13 -0.24 0.25 -1.72 0.00 0.00 179.24 177.56 2wh4 h LEU 53 N 0.18 -0.60 -0.73 1.55 6.46 -0.88 0.18 115.31 121.47 2wh4 h LEU 53 Ca 0.05 0.04 0.14 0.00 -0.12 0.00 0.00 57.88 57.99 2wh4 h LEU 53 Cb -0.00 0.18 -0.14 0.00 -0.73 0.00 0.00 40.66 39.97 2wh4 h LEU 53 CO -0.01 -0.37 -0.23 0.11 -0.62 0.00 0.00 178.44 177.32 2wh4 h LYS 54 N -0.58 -0.03 -0.40 1.25 1.57 -0.83 0.25 116.57 117.80 2wh4 h LYS 54 Ca -0.03 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 2wh4 h LYS 54 Cb 0.49 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 2wh4 h LYS 54 CO 0.02 -0.02 0.12 0.00 -0.57 0.00 0.00 179.45 179.01 2wh4 h ARG 55 N -0.03 0.61 -0.49 3.15 3.08 -0.77 0.22 114.38 120.16 2wh4 h ARG 55 Ca 0.33 -0.13 0.05 0.00 0.07 0.00 0.00 59.98 60.30 2wh4 h ARG 55 Cb 0.55 -0.09 -0.07 0.00 0.08 0.00 0.00 29.97 30.45 2wh4 h ARG 55 CO -0.76 0.61 -0.36 1.96 -1.07 0.00 0.00 179.97 180.35 2wh4 h GLN 56 N 0.49 -0.09 -0.26 0.04 1.08 0.25 0.77 115.11 117.39 2wh4 h GLN 56 Ca 0.13 0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.39 2wh4 h GLN 56 Cb 0.26 0.02 -0.08 0.00 -0.05 0.00 0.00 27.48 27.63 2wh4 h GLN 56 CO -0.00 -0.06 -0.43 0.82 -0.95 0.00 0.00 178.83 178.20 2wh4 h ILE 57 N -0.09 0.12 -0.40 2.54 2.04 -0.93 0.19 117.51 120.98 2wh4 h ILE 57 Ca 0.08 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.98 2wh4 h ILE 57 Cb 0.30 0.12 -0.05 0.00 -0.74 0.00 0.00 36.82 36.45 2wh4 h ILE 57 CO -0.51 0.00 -0.23 0.00 0.00 0.00 0.00 178.15 177.41 2wh4 n ALA 58 N -3.00 -0.25 -0.09 1.87 0.00 0.13 -0.66 120.51 118.50 2wh4 n ALA 58 Ca -0.03 0.34 -0.10 0.00 0.00 0.00 0.00 53.44 53.65 2wh4 n ALA 58 Cb 0.36 0.17 0.04 0.00 0.00 0.00 0.00 19.45 20.01 2wh4 n ALA 58 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2wh4 h ARG 59 N 0.00 0.83 -0.82 0.00 0.11 -0.93 -1.34 114.38 112.23 2wh4 h ARG 59 Ca 0.06 -0.39 0.17 0.00 0.10 0.00 0.00 59.98 59.92 2wh4 h ARG 59 Cb 0.16 -0.01 -0.15 0.00 1.11 0.00 0.00 29.97 31.08 2wh4 h ARG 59 CO -0.37 1.02 -0.17 1.25 0.10 0.00 0.00 179.97 181.80 2wh4 h LEU 60 N 0.69 -0.70 0.00 0.08 6.46 0.17 1.17 115.31 123.18 2wh4 h LEU 60 Ca 0.07 0.24 0.00 0.00 -0.12 0.00 0.00 57.88 58.08 2wh4 h LEU 60 Cb 0.87 0.49 0.00 0.00 -0.73 0.00 0.00 40.66 41.29 2wh4 h LEU 60 CO 0.08 -0.27 -0.26 0.17 -0.62 0.00 0.00 178.44 177.55 2wh4 h LEU 61 N 0.01 0.00 -2.19 2.25 -0.00 -0.91 -2.98 115.31 111.49 2wh4 h LEU 61 Ca 0.40 -0.01 0.02 0.00 -0.00 0.00 0.00 57.88 58.29 2wh4 h LEU 61 Cb 0.64 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.30 2wh4 h LEU 61 CO -0.83 0.01 0.06 0.74 -0.00 0.00 0.00 178.44 178.41 2wh4 h THR 62 N 0.00 0.75 0.16 0.15 2.02 0.25 0.46 112.91 116.69 2wh4 h THR 62 Ca 0.00 0.00 -0.30 0.00 0.77 0.00 0.00 66.41 66.88 2wh4 h THR 62 Cb 0.96 0.96 0.03 0.00 -1.74 0.00 0.00 68.15 68.36 2wh4 h THR 62 CO 0.00 0.00 -1.26 0.58 0.37 0.00 0.00 175.52 175.21 2wh4 h VAL 63 N 0.00 1.30 -0.83 3.16 2.07 -0.78 -3.22 116.25 117.96 2wh4 h VAL 63 Ca 0.03 -2.51 0.10 0.00 0.82 0.00 0.00 66.70 65.14 2wh4 h VAL 63 Cb 0.14 2.82 -0.08 0.00 -1.52 0.00 0.00 31.29 32.66 2wh4 h VAL 63 CO -0.00 0.76 0.47 0.25 0.02 0.00 0.00 177.57 179.06 2wh4 h LEU 64 N 0.18 0.66 -0.38 2.57 6.46 -0.90 -0.23 115.31 123.66 2wh4 h LEU 64 Ca -0.20 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.61 2wh4 h LEU 64 Cb 1.94 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 41.80 2wh4 h LEU 64 CO 0.24 0.36 0.00 0.59 -0.62 0.00 0.00 178.44 179.01 2wh4 n ASN 65 N -4.76 0.30 0.00 1.25 4.13 -0.36 -0.11 115.26 115.71 2wh4 n ASN 65 Ca 0.14 -1.55 0.00 0.00 1.68 0.00 0.00 54.58 54.85 2wh4 n ASN 65 Cb 0.30 -0.15 0.00 0.00 -1.54 0.00 0.00 39.78 38.39 2wh4 n ASN 65 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 2wh4 n GLU 66 N -0.26 0.04 -0.04 3.52 0.28 -0.21 -4.62 120.64 119.34 2wh4 n GLU 66 Ca 0.00 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 56.89 2wh4 n GLU 66 Cb 0.07 -0.97 -0.06 0.00 1.43 0.00 0.00 31.44 31.92 2wh4 n GLU 66 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 2wh4 h LYS 67 N 0.00 0.24 -3.05 3.44 1.79 -1.03 -3.12 116.57 114.85 2wh4 h LYS 67 Ca 0.00 -0.06 -0.26 0.00 -2.18 0.00 0.00 60.65 58.16 2wh4 h LYS 67 Cb 0.94 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.56 2wh4 h LYS 67 CO 0.00 0.38 1.51 -2.13 -1.08 0.00 0.00 179.45 178.13 2wh4 n ARG 68 N -4.83 1.63 0.00 3.15 0.63 0.84 -2.52 116.66 115.56 2wh4 n ARG 68 Ca -0.05 -1.06 0.00 0.00 -0.92 0.00 0.00 57.85 55.82 2wh4 n ARG 68 Cb 0.15 -2.16 0.00 0.00 0.45 0.00 0.00 32.46 30.90 2wh4 n ARG 68 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2wh4 n ARG 69 N 3.61 0.00 0.00 -0.14 1.74 -1.18 -4.83 116.66 115.87 2wh4 n ARG 69 Ca 0.35 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.43 2wh4 n ARG 69 Cb 0.28 -0.06 0.00 0.00 -1.02 0.00 0.00 32.46 31.66 2wh4 n ARG 69 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2wh4 n GLN 70 N -0.80 0.99 0.00 5.56 6.02 -1.13 -4.74 117.38 123.28 2wh4 n GLN 70 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2wh4 n GLN 70 Cb 0.00 -0.93 0.00 0.00 1.02 0.00 0.00 30.24 30.33 2wh4 n GLN 70 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2wh4 n ASN 71 N -1.33 0.72 0.00 1.08 3.02 -1.12 -5.16 115.26 112.47 2wh4 n ASN 71 Ca 0.00 -1.19 0.00 0.00 -0.03 0.00 0.00 54.58 53.36 2wh4 n ASN 71 Cb 0.03 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 2wh4 n ASN 71 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64