#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wlo n VAL 2 N 0.00 -3.69 -1.52 1.12 0.31 -1.24 -4.97 118.33 108.33 1wlo n VAL 2 Ca 0.00 1.59 -0.29 0.00 -0.01 0.00 0.00 64.34 65.62 1wlo n VAL 2 Cb 0.00 -2.24 0.17 0.00 -0.91 0.00 0.00 33.84 30.86 1wlo n VAL 2 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1wlo s PRO 3 N -4.52 0.44 -0.07 5.55 0.04 -1.26 -4.89 135.00 130.30 1wlo s PRO 3 Ca 0.00 0.03 -0.18 0.00 0.04 0.00 0.00 61.00 60.89 1wlo s PRO 3 Cb 0.00 -1.78 -0.13 0.00 0.04 0.00 0.00 34.50 32.62 1wlo s PRO 3 CO 0.00 -2.62 0.67 -1.00 0.04 0.00 0.00 177.00 174.09 1wlo h PRO 4 N -1.80 -0.18 -0.92 0.56 0.13 -1.93 -1.96 132.00 125.90 1wlo h PRO 4 Ca -0.48 0.01 0.33 0.00 -0.87 0.00 0.00 66.00 65.00 1wlo h PRO 4 Cb 1.30 0.04 -0.17 0.00 0.13 0.00 0.00 31.00 32.30 1wlo h PRO 4 CO 0.49 0.22 0.29 1.63 -0.23 0.00 0.00 178.00 180.41 1wlo n LYS 5 N -4.88 -0.06 0.02 0.86 5.02 -1.26 0.17 118.16 118.03 1wlo n LYS 5 Ca -0.07 1.32 -0.01 0.00 -2.02 0.00 0.00 58.31 57.53 1wlo n LYS 5 Cb 0.24 -2.24 -0.00 0.00 -0.02 0.00 0.00 35.03 33.00 1wlo n LYS 5 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1wlo h LEU 6 N 0.00 -0.05 -1.92 -0.35 6.46 -1.59 0.12 115.31 117.98 1wlo h LEU 6 Ca 0.69 0.00 0.56 0.00 -0.12 0.00 0.00 57.88 59.00 1wlo h LEU 6 Cb 1.68 0.01 -0.08 0.00 -0.73 0.00 0.00 40.66 41.55 1wlo h LEU 6 CO -0.77 0.00 1.42 0.50 -0.62 0.00 0.00 178.44 178.96 1wlo h LYS 7 N -0.14 0.00 0.00 1.25 1.63 -0.25 1.48 116.57 120.54 1wlo h LYS 7 Ca -0.01 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1wlo h LYS 7 Cb 0.05 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.68 1wlo h LYS 7 CO 0.01 0.00 -0.00 1.96 -3.45 0.00 0.00 179.45 177.97 1wlo h GLN 8 N 0.00 -0.00 -0.76 1.90 1.08 0.18 -0.17 115.11 117.33 1wlo h GLN 8 Ca 0.91 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 58.14 1wlo h GLN 8 Cb 3.73 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 31.12 1wlo h GLN 8 CO -0.01 0.90 0.50 0.00 -0.95 0.00 0.00 178.83 179.27 1wlo h ALA 9 N -0.06 1.55 0.12 3.87 0.00 0.44 0.87 119.26 126.05 1wlo h ALA 9 Ca -0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1wlo h ALA 9 Cb 0.90 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1wlo h ALA 9 CO 0.00 0.38 -0.06 -0.07 0.00 0.00 0.00 179.25 179.50 1wlo h LEU 10 N 0.93 -0.14 -0.92 0.00 3.38 0.43 -1.06 115.31 117.95 1wlo h LEU 10 Ca 0.30 0.00 0.24 0.00 0.09 0.00 0.00 57.88 58.51 1wlo h LEU 10 Cb 0.04 0.03 -0.13 0.00 0.09 0.00 0.00 40.66 40.70 1wlo h LEU 10 CO -0.09 0.01 0.42 -0.33 0.09 0.00 0.00 178.44 178.54 1wlo h GLU 11 N -0.37 0.38 0.19 1.13 5.08 -0.95 0.19 114.58 120.22 1wlo h GLU 11 Ca -0.02 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1wlo h GLU 11 Cb 0.12 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1wlo h GLU 11 CO 0.03 0.25 -0.09 1.25 -1.00 0.00 0.00 179.01 179.45 1wlo h LEU 12 N 0.39 -0.22 -0.07 1.33 5.85 0.70 0.45 115.31 123.74 1wlo h LEU 12 Ca 0.59 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 59.28 1wlo h LEU 12 Cb 1.15 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 42.18 1wlo h LEU 12 CO -0.55 -0.09 -0.51 0.15 -0.34 0.00 0.00 178.44 177.10 1wlo h PHE 13 N -0.33 -1.51 -0.10 1.25 3.57 0.68 1.54 116.94 122.04 1wlo h PHE 13 Ca -0.03 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 1wlo h PHE 13 Cb 0.25 0.67 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 1wlo h PHE 13 CO -0.04 -0.53 0.04 -0.22 -2.23 0.00 0.00 178.31 175.33 1wlo h LYS 14 N -0.59 0.13 0.00 1.11 3.64 -1.11 0.12 116.57 119.88 1wlo h LYS 14 Ca 0.02 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.32 1wlo h LYS 14 Cb 0.66 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 1wlo h LYS 14 CO -0.38 0.11 -0.35 1.03 -2.27 0.00 0.00 179.45 177.59 1wlo h SER 15 N 0.13 0.00 -4.32 4.20 0.87 0.25 -3.45 113.55 111.24 1wlo h SER 15 Ca 0.04 0.00 -0.51 0.00 -1.23 0.00 0.00 61.79 60.09 1wlo h SER 15 Cb 0.02 0.00 0.08 0.00 -0.44 0.00 0.00 62.40 62.07 1wlo h SER 15 CO -0.00 0.35 0.38 -0.76 -0.53 0.00 0.00 176.83 176.26 1wlo s LEU 16 N -6.88 3.21 0.25 2.23 1.43 0.50 -5.01 118.68 114.41 1wlo s LEU 16 Ca 0.01 1.60 -0.30 0.00 -1.03 0.00 0.00 54.13 54.42 1wlo s LEU 16 Cb 0.10 -4.50 -0.09 0.00 0.03 0.00 0.00 46.19 41.74 1wlo s LEU 16 CO 0.68 -1.28 1.09 -2.16 0.23 0.00 0.00 176.35 174.91 1wlo s PRO 17 N -4.92 4.64 0.00 1.29 0.04 -1.26 -4.71 135.00 130.08 1wlo s PRO 17 Ca 0.58 1.76 -0.01 0.00 0.04 0.00 0.00 61.00 63.38 1wlo s PRO 17 Cb -0.14 -3.22 -0.00 0.00 0.04 0.00 0.00 34.50 31.18 1wlo s PRO 17 CO 0.52 0.20 0.76 1.17 0.04 0.00 0.00 177.00 179.69 1wlo n LYS 18 N 1.52 -0.01 -0.27 4.56 4.81 -1.26 0.14 118.16 127.65 1wlo n LYS 18 Ca -0.00 0.76 -0.03 0.00 -0.87 0.00 0.00 58.31 58.17 1wlo n LYS 18 Cb 0.45 -1.14 -0.01 0.00 0.02 0.00 0.00 35.03 34.35 1wlo n LYS 18 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1wlo n GLU 19 N -2.82 -0.21 0.18 1.64 0.00 -1.26 0.12 120.64 118.29 1wlo n GLU 19 Ca 0.00 1.03 -0.15 0.00 0.00 0.00 0.00 57.16 58.05 1wlo n GLU 19 Cb 0.01 -1.52 -0.08 0.00 0.00 0.00 0.00 31.44 29.84 1wlo n GLU 19 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1wlo h LEU 20 N 0.00 -0.36 -0.93 -1.84 3.38 -0.31 -2.84 115.31 112.41 1wlo h LEU 20 Ca 0.18 -0.05 0.20 0.00 0.09 0.00 0.00 57.88 58.30 1wlo h LEU 20 Cb 0.35 0.09 -0.18 0.00 0.09 0.00 0.00 40.66 41.02 1wlo h LEU 20 CO -0.66 -0.17 -0.18 0.54 0.09 0.00 0.00 178.44 178.06 1wlo n ARG 21 N -5.23 -0.08 -0.21 1.13 1.74 0.37 0.19 116.66 114.57 1wlo n ARG 21 Ca -0.10 1.44 0.02 0.00 -0.77 0.00 0.00 57.85 58.44 1wlo n ARG 21 Cb 0.22 -2.17 0.13 0.00 -1.02 0.00 0.00 32.46 29.61 1wlo n ARG 21 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1wlo h SER 22 N 0.00 0.01 -0.42 0.55 0.87 -0.52 -0.17 113.55 113.87 1wlo h SER 22 Ca 0.47 0.12 -0.05 0.00 -1.23 0.00 0.00 61.79 61.10 1wlo h SER 22 Cb 0.77 0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.88 1wlo h SER 22 CO -0.94 0.00 0.08 1.56 -0.53 0.00 0.00 176.83 177.00 1wlo h GLN 23 N 0.27 0.68 -0.32 2.24 1.08 0.22 -3.12 115.11 116.16 1wlo h GLN 23 Ca 0.34 -0.18 0.04 0.00 -1.45 0.00 0.00 58.65 57.41 1wlo h GLN 23 Cb 0.53 -0.08 -0.07 0.00 -0.05 0.00 0.00 27.48 27.80 1wlo h GLN 23 CO -0.43 0.71 -0.53 0.28 -0.95 0.00 0.00 178.83 177.91 1wlo h VAL 24 N 0.54 0.00 -0.99 -0.54 2.07 0.99 1.59 116.25 119.91 1wlo h VAL 24 Ca 0.13 0.00 0.35 0.00 0.82 0.00 0.00 66.70 68.00 1wlo h VAL 24 Cb 0.35 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.96 1wlo h VAL 24 CO 0.01 0.00 0.51 -0.07 0.02 0.00 0.00 177.57 178.03 1wlo h LEU 25 N -0.43 0.35 0.13 2.57 3.38 -1.25 0.39 115.31 120.45 1wlo h LEU 25 Ca 0.06 0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 1wlo h LEU 25 Cb 0.59 0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1wlo h LEU 25 CO -0.53 -0.26 -0.06 -0.07 0.09 0.00 0.00 178.44 177.61 1wlo h LEU 26 N 0.18 -0.14 -0.85 1.67 -0.00 -0.01 -3.17 115.31 112.98 1wlo h LEU 26 Ca 0.76 -0.41 0.16 0.00 -0.00 0.00 0.00 57.88 58.39 1wlo h LEU 26 Cb 1.83 0.04 -0.16 0.00 -0.00 0.00 0.00 40.66 42.37 1wlo h LEU 26 CO -0.69 0.45 -0.25 -0.33 -0.00 0.00 0.00 178.44 177.61 1wlo h GLU 27 N -0.86 -0.02 -0.03 1.13 5.08 0.58 0.14 114.58 120.60 1wlo h GLU 27 Ca -0.02 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1wlo h GLU 27 Cb 0.55 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1wlo h GLU 27 CO 0.03 -0.01 -0.20 1.88 -1.00 0.00 0.00 179.01 179.70 1wlo h TYR 28 N -0.02 -0.60 -0.45 4.33 0.05 -0.56 0.44 116.97 120.16 1wlo h TYR 28 Ca 0.38 0.02 0.13 0.00 0.05 0.00 0.00 58.73 59.31 1wlo h TYR 28 Cb 0.61 0.27 -0.02 0.00 1.01 0.00 0.00 36.73 38.60 1wlo h TYR 28 CO -0.70 -0.21 0.56 0.00 -1.05 0.00 0.00 178.16 176.76 1wlo h ALA 29 N -1.04 2.16 -0.02 3.88 0.00 -1.22 1.62 119.26 124.64 1wlo h ALA 29 Ca 0.01 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 1wlo h ALA 29 Cb 0.26 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1wlo h ALA 29 CO -0.15 -0.79 -0.84 0.00 0.00 0.00 0.00 179.25 177.46 1wlo h ALA 30 N 1.31 0.52 0.09 0.00 0.00 0.22 -3.16 119.26 118.24 1wlo h ALA 30 Ca 0.22 -0.68 -0.26 0.00 0.00 0.00 0.00 54.91 54.19 1wlo h ALA 30 Cb 1.33 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1wlo h ALA 30 CO -0.00 0.84 -1.20 0.87 0.00 0.00 0.00 179.25 179.76 1wlo h LYS 31 N 0.18 0.18 -5.40 0.00 1.57 0.62 -3.44 116.57 110.27 1wlo h LYS 31 Ca -0.05 -0.31 -0.57 0.00 -1.87 0.00 0.00 60.65 57.85 1wlo h LYS 31 Cb 1.45 0.12 -0.06 0.00 0.08 0.00 0.00 32.23 33.82 1wlo h LYS 31 CO 0.14 1.13 1.61 0.28 -0.57 0.00 0.00 179.45 182.04 1wlo n VAL 32 N -3.46 0.01 -1.65 0.50 0.31 0.15 -4.86 118.33 109.33 1wlo n VAL 32 Ca -0.07 -0.13 -0.31 0.00 -0.01 0.00 0.00 64.34 63.82 1wlo n VAL 32 Cb 1.00 -0.92 0.04 0.00 -0.91 0.00 0.00 33.84 33.06 1wlo n VAL 32 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1wlo s PRO 33 N 7.96 3.00 0.56 5.55 0.04 -1.26 -4.99 135.00 145.85 1wlo s PRO 33 Ca 1.25 0.99 -0.17 0.00 0.04 0.00 0.00 61.00 63.11 1wlo s PRO 33 Cb -1.13 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 31.36 1wlo s PRO 33 CO 0.50 -1.05 1.04 -1.25 0.04 0.00 0.00 177.00 176.28 1wlo s PRO 34 N -4.90 3.51 0.43 0.56 0.04 -1.26 -4.60 135.00 128.77 1wlo s PRO 34 Ca 0.59 1.22 -0.23 0.00 0.04 0.00 0.00 61.00 62.62 1wlo s PRO 34 Cb -0.14 -2.06 -0.09 0.00 0.04 0.00 0.00 34.50 32.25 1wlo s PRO 34 CO 0.52 -0.66 1.05 -1.25 0.04 0.00 0.00 177.00 176.70 1wlo s PRO 35 N -3.86 4.04 0.60 0.56 0.04 -1.26 -5.00 135.00 130.12 1wlo s PRO 35 Ca 0.64 1.47 -0.15 0.00 0.04 0.00 0.00 61.00 63.00 1wlo s PRO 35 Cb -0.15 -2.40 -0.04 0.00 0.04 0.00 0.00 34.50 31.95 1wlo s PRO 35 CO 0.32 -0.24 1.05 -1.25 0.04 0.00 0.00 177.00 176.92 1wlo s PRO 36 N -2.73 3.35 -0.03 0.56 0.04 -1.26 -4.99 135.00 129.93 1wlo s PRO 36 Ca 0.61 1.15 -0.30 0.00 0.04 0.00 0.00 61.00 62.50 1wlo s PRO 36 Cb -0.20 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 1wlo s PRO 36 CO 0.25 -0.78 1.21 -1.25 0.04 0.00 0.00 177.00 176.47 1wlo s PRO 37 N -4.18 4.36 0.00 0.56 0.04 -1.26 -2.80 135.00 131.73 1wlo s PRO 37 Ca 0.62 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.37 1wlo s PRO 37 Cb -0.15 -3.53 0.00 0.00 0.04 0.00 0.00 34.50 30.86 1wlo s PRO 37 CO 0.38 -0.42 0.00 0.41 0.04 0.00 0.00 177.00 177.41 1wlo n GLY 38 N 3.36 0.61 3.75 0.56 0.00 -1.26 -5.08 105.19 107.13 1wlo n GLY 38 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 1wlo n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wlo s VAL 39 N -2.00 5.15 -0.29 1.61 1.01 -1.12 -5.06 120.40 119.70 1wlo s VAL 39 Ca 0.00 0.87 -0.11 0.00 0.00 0.00 0.00 61.98 62.75 1wlo s VAL 39 Cb 0.00 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 1wlo s VAL 39 CO 0.00 0.40 0.17 -0.70 0.00 0.00 0.00 175.10 174.98 1wlo s GLU 40 N 0.13 3.72 0.09 2.72 2.12 -1.26 -4.96 118.70 121.26 1wlo s GLU 40 Ca 0.24 -0.47 0.01 0.00 0.36 0.00 0.00 54.97 55.11 1wlo s GLU 40 Cb -0.15 -3.62 -0.04 0.00 0.26 0.00 0.00 34.13 30.58 1wlo s GLU 40 CO 0.10 -0.27 0.20 -0.51 -0.54 0.00 0.00 175.26 174.24 1wlo s LEU 41 N 1.71 4.23 -0.28 2.70 1.02 -1.26 -4.87 118.68 121.93 1wlo s LEU 41 Ca 0.06 0.18 -0.10 0.00 0.02 0.00 0.00 54.13 54.30 1wlo s LEU 41 Cb -0.16 -2.84 -0.03 0.00 0.02 0.00 0.00 46.19 43.18 1wlo s LEU 41 CO 0.09 0.14 0.14 -0.70 0.02 0.00 0.00 176.35 176.04 1wlo s GLU 42 N -2.67 3.69 0.33 1.70 2.56 0.27 -4.82 118.70 119.76 1wlo s GLU 42 Ca 0.34 -0.48 -0.29 0.00 0.00 0.00 0.00 54.97 54.55 1wlo s GLU 42 Cb -0.12 -3.53 -0.10 0.00 2.00 0.00 0.00 34.13 32.37 1wlo s GLU 42 CO 0.27 -0.25 1.28 0.50 -0.56 0.00 0.00 175.26 176.50 1wlo s ARG 43 N 1.68 4.36 -0.89 4.30 3.52 -1.26 -1.70 118.95 128.96 1wlo s ARG 43 Ca 0.06 2.15 -0.18 0.00 -0.13 0.00 0.00 55.73 57.63 1wlo s ARG 43 Cb -0.16 -3.05 0.15 0.00 -1.56 0.00 0.00 34.95 30.32 1wlo s ARG 43 CO 0.07 -0.16 1.03 0.08 -0.81 0.00 0.00 175.30 175.52 1wlo s VAL 44 N -1.16 4.89 0.50 7.11 1.01 0.87 -4.85 120.40 128.78 1wlo s VAL 44 Ca 0.49 -1.69 0.28 0.00 0.00 0.00 0.00 61.98 61.07 1wlo s VAL 44 Cb -0.38 -4.70 0.47 0.00 0.00 0.00 0.00 36.38 31.76 1wlo s VAL 44 CO 0.51 -1.40 1.86 0.45 0.00 0.00 0.00 175.10 176.52 1wlo h HIS 45 N 8.67 0.17 -0.12 5.22 -0.00 -1.92 1.03 115.15 128.19 1wlo h HIS 45 Ca 0.11 0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.53 1wlo h HIS 45 Cb 1.03 -0.05 -0.00 0.00 -0.00 0.00 0.00 27.41 28.39 1wlo h HIS 45 CO 1.12 0.03 0.12 1.49 -0.00 0.00 0.00 177.93 180.69 1wlo h GLU 46 N 0.12 0.00 -4.87 2.45 4.57 -1.94 -3.36 114.58 111.54 1wlo h GLU 46 Ca 0.48 0.00 -0.68 0.00 -1.18 0.00 0.00 59.36 57.97 1wlo h GLU 46 Cb 1.68 0.00 -0.18 0.00 -0.16 0.00 0.00 28.75 30.09 1wlo h GLU 46 CO -0.07 0.00 -0.25 0.00 -1.18 0.00 0.00 179.01 177.51 1wlo h GLN 48 N 8.62 0.00 -6.82 0.00 3.07 -1.80 -3.42 115.11 114.76 1wlo h GLN 48 Ca -0.28 0.00 -0.46 0.00 0.09 0.00 0.00 58.65 58.00 1wlo h GLN 48 Cb 1.12 0.00 0.04 0.00 0.08 0.00 0.00 27.48 28.72 1wlo h GLN 48 CO 0.75 0.00 -0.01 0.95 0.09 0.00 0.00 178.83 180.61 1wlo s THR 49 N -4.19 3.91 -0.85 1.86 -4.23 -1.26 -4.99 115.64 105.89 1wlo s THR 49 Ca -0.04 -0.34 -0.25 0.00 -1.18 0.00 0.00 61.69 59.88 1wlo s THR 49 Cb 0.10 -3.48 0.00 0.00 1.34 0.00 0.00 72.50 70.47 1wlo s THR 49 CO 0.34 -0.38 1.64 -2.16 -0.54 0.00 0.00 174.62 173.52 1wlo s PRO 50 N -4.68 3.01 -0.21 3.99 0.04 -1.26 -4.85 135.00 131.04 1wlo s PRO 50 Ca 0.50 -0.35 0.01 0.00 0.04 0.00 0.00 61.00 61.19 1wlo s PRO 50 Cb -0.10 -4.84 0.05 0.00 0.04 0.00 0.00 34.50 29.65 1wlo s PRO 50 CO 0.40 -2.64 -0.09 0.12 0.04 0.00 0.00 177.00 174.83 1wlo s PHE 51 N 7.43 2.42 -0.28 0.56 5.36 -1.26 -4.48 117.98 127.73 1wlo s PHE 51 Ca 0.55 -1.66 -0.03 0.00 -0.96 0.00 0.00 56.93 54.84 1wlo s PHE 51 Cb -0.06 -1.62 0.03 0.00 -0.34 0.00 0.00 43.02 41.03 1wlo s PHE 51 CO 0.04 -0.75 -0.01 -0.06 -1.46 0.00 0.00 175.22 172.97 1wlo s PHE 52 N 1.39 3.16 0.34 10.12 0.08 -1.18 -0.09 117.98 131.79 1wlo s PHE 52 Ca -0.03 -1.58 0.08 0.00 0.12 0.00 0.00 56.93 55.52 1wlo s PHE 52 Cb -0.17 -2.11 -0.03 0.00 -0.57 0.00 0.00 43.02 40.13 1wlo s PHE 52 CO -0.07 -0.73 0.21 0.14 -0.10 0.00 0.00 175.22 174.67 1wlo s VAL 53 N 1.33 3.24 -0.26 -0.44 -7.23 -0.69 -1.36 120.40 114.99 1wlo s VAL 53 Ca -0.02 -1.54 -0.18 0.00 -1.81 0.00 0.00 61.98 58.43 1wlo s VAL 53 Cb -0.18 -3.07 0.07 0.00 0.56 0.00 0.00 36.38 33.76 1wlo s VAL 53 CO -0.02 -0.17 0.67 -2.28 -0.31 0.00 0.00 175.10 172.98 1wlo s HIS 54 N -2.37 -0.91 -0.07 2.82 2.46 -0.50 0.94 115.29 117.65 1wlo s HIS 54 Ca 0.39 1.95 0.02 0.00 0.47 0.00 0.00 55.06 57.89 1wlo s HIS 54 Cb -0.04 0.46 0.02 0.00 -0.13 0.00 0.00 32.58 32.89 1wlo s HIS 54 CO 0.24 -0.45 -0.11 0.00 -2.47 0.00 0.00 174.74 171.95 1wlo s ALA 55 N 1.13 1.25 0.18 1.58 0.00 -1.26 -1.87 121.76 122.78 1wlo s ALA 55 Ca -0.06 -0.43 -0.06 0.00 0.00 0.00 0.00 51.96 51.41 1wlo s ALA 55 Cb -0.05 -0.62 -0.02 0.00 0.00 0.00 0.00 23.12 22.42 1wlo s ALA 55 CO -0.11 0.01 0.24 -0.51 0.00 0.00 0.00 175.76 175.39 1wlo s ASP 56 N 0.86 0.10 -0.35 0.00 1.01 -0.46 -4.69 116.67 113.13 1wlo s ASP 56 Ca -0.11 -1.09 -0.03 0.00 0.71 0.00 0.00 52.55 52.04 1wlo s ASP 56 Cb -0.15 0.42 0.08 0.00 1.01 0.00 0.00 42.92 44.28 1wlo s ASP 56 CO 0.01 -0.90 0.10 -0.69 0.21 0.00 0.00 175.17 173.91 1wlo s VAL 57 N -4.05 3.18 -0.53 -1.27 1.01 -1.26 0.22 120.40 117.71 1wlo s VAL 57 Ca 0.26 -1.68 -0.17 0.00 0.00 0.00 0.00 61.98 60.39 1wlo s VAL 57 Cb 0.04 -2.99 0.10 0.00 0.00 0.00 0.00 36.38 33.53 1wlo s VAL 57 CO 0.05 -0.38 0.53 -1.61 0.00 0.00 0.00 175.10 173.69 1wlo s GLU 58 N 1.21 3.01 0.42 2.72 0.41 0.22 -4.80 118.70 121.88 1wlo s GLU 58 Ca 0.01 -1.47 0.00 0.00 -0.41 0.00 0.00 54.97 53.10 1wlo s GLU 58 Cb -0.21 -4.24 0.00 0.00 -1.78 0.00 0.00 34.13 27.90 1wlo s GLU 58 CO -0.02 -1.30 0.00 0.41 -0.49 0.00 0.00 175.26 173.86 1wlo n GLY 59 N 5.24 2.25 0.23 -1.39 0.00 -1.26 -2.45 105.19 107.80 1wlo n GLY 59 Ca -0.12 0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1wlo n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wlo n GLY 60 N 0.00 -0.70 3.31 -0.02 0.00 -1.26 -5.10 105.19 101.41 1wlo n GLY 60 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1wlo n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wlo s LYS 61 N 0.00 1.24 -0.22 1.61 1.02 -1.03 -4.63 119.74 117.73 1wlo s LYS 61 Ca 0.00 -1.56 -0.12 0.00 0.02 0.00 0.00 55.97 54.30 1wlo s LYS 61 Cb 0.00 -0.82 -0.05 0.00 -0.52 0.00 0.00 37.83 36.44 1wlo s LYS 61 CO 0.00 0.08 0.24 0.14 -0.92 0.00 0.00 175.35 174.88 1wlo s VAL 62 N -3.20 5.31 -0.06 3.17 -7.23 0.51 0.68 120.40 119.58 1wlo s VAL 62 Ca 0.22 0.37 -0.13 0.00 -1.81 0.00 0.00 61.98 60.63 1wlo s VAL 62 Cb 0.02 -3.57 -0.05 0.00 0.56 0.00 0.00 36.38 33.34 1wlo s VAL 62 CO 0.05 0.33 0.32 -0.13 -0.31 0.00 0.00 175.10 175.36 1wlo s ARG 63 N 1.00 3.86 0.04 4.82 1.81 0.61 -1.00 118.95 130.08 1wlo s ARG 63 Ca 0.12 0.21 0.08 0.00 -1.72 0.00 0.00 55.73 54.42 1wlo s ARG 63 Cb -0.14 -3.25 -0.03 0.00 -0.45 0.00 0.00 34.95 31.09 1wlo s ARG 63 CO 0.05 0.62 -0.24 -0.51 -0.68 0.00 0.00 175.30 174.54 1wlo s LEU 64 N -0.76 2.16 -0.13 2.53 1.43 -1.26 -1.36 118.68 121.29 1wlo s LEU 64 Ca 0.20 -0.56 -0.06 0.00 -1.03 0.00 0.00 54.13 52.69 1wlo s LEU 64 Cb -0.15 -1.17 0.06 0.00 0.03 0.00 0.00 46.19 44.96 1wlo s LEU 64 CO 0.09 0.22 0.30 -0.31 0.23 0.00 0.00 176.35 176.88 1wlo s TYR 65 N -0.79 -0.46 -0.01 0.29 2.02 -0.78 -4.98 117.35 112.63 1wlo s TYR 65 Ca 0.10 1.02 0.06 0.00 -0.37 0.00 0.00 57.07 57.88 1wlo s TYR 65 Cb -0.09 0.07 -0.02 0.00 -0.40 0.00 0.00 41.96 41.52 1wlo s TYR 65 CO 0.02 -0.33 -0.20 -0.06 -1.57 0.00 0.00 175.55 173.41 1wlo s PHE 66 N 1.90 1.76 -0.16 2.71 0.08 -1.26 -1.41 117.98 121.60 1wlo s PHE 66 Ca -0.04 -0.33 0.01 0.00 0.12 0.00 0.00 56.93 56.68 1wlo s PHE 66 Cb -0.11 -1.13 0.03 0.00 -0.57 0.00 0.00 43.02 41.24 1wlo s PHE 66 CO -0.10 -0.03 -0.15 -1.58 -0.10 0.00 0.00 175.22 173.27 1wlo s HIS 67 N -0.47 2.35 -0.16 0.36 5.65 -0.46 -4.51 115.29 118.05 1wlo s HIS 67 Ca 0.08 -1.38 -0.01 0.00 0.25 0.00 0.00 55.06 53.99 1wlo s HIS 67 Cb -0.08 -1.67 0.05 0.00 -1.18 0.00 0.00 32.58 29.70 1wlo s HIS 67 CO -0.01 -0.71 -0.02 0.08 -0.65 0.00 0.00 174.74 173.43 1wlo s VAL 68 N 1.43 0.83 -0.04 0.89 1.01 -1.26 -3.13 120.40 120.12 1wlo s VAL 68 Ca 0.04 -0.51 -0.07 0.00 0.00 0.00 0.00 61.98 61.44 1wlo s VAL 68 Cb -0.13 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 1wlo s VAL 68 CO -0.11 0.04 0.35 1.55 0.00 0.00 0.00 175.10 176.94 1wlo h PRO 69 N 8.18 -0.23 -0.33 2.72 0.13 -1.99 -3.23 132.00 137.25 1wlo h PRO 69 Ca -0.21 0.02 0.10 0.00 -0.87 0.00 0.00 66.00 65.03 1wlo h PRO 69 Cb 1.11 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1wlo h PRO 69 CO 0.36 -0.16 0.54 0.22 -0.23 0.00 0.00 178.00 178.73 1wlo h ASP 70 N -0.78 0.00 -4.14 1.44 1.82 -1.96 -3.44 116.42 109.36 1wlo h ASP 70 Ca -0.02 0.00 -0.24 0.00 -0.39 0.00 0.00 57.03 56.38 1wlo h ASP 70 Cb 0.19 0.00 0.09 0.00 0.68 0.00 0.00 39.33 40.29 1wlo h ASP 70 CO 0.04 0.00 -0.45 -0.62 -1.61 0.00 0.00 179.24 176.60 1wlo n GLU 71 N -3.33 -4.75 -1.97 0.28 1.02 -1.22 -4.92 120.64 105.76 1wlo n GLU 71 Ca 0.06 0.53 -0.42 0.00 -0.02 0.00 0.00 57.16 57.30 1wlo n GLU 71 Cb 0.68 -4.63 -0.03 0.00 -0.02 0.00 0.00 31.44 27.44 1wlo n GLU 71 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wlo s ALA 72 N -3.21 3.46 -1.45 0.62 0.00 -1.26 -4.84 121.76 115.08 1wlo s ALA 72 Ca 0.24 0.85 0.23 0.00 0.00 0.00 0.00 51.96 53.27 1wlo s ALA 72 Cb -0.11 -3.81 1.15 0.00 0.00 0.00 0.00 23.12 20.36 1wlo s ALA 72 CO 0.46 -1.67 1.74 -0.35 0.00 0.00 0.00 175.76 175.94 1wlo n PRO 73 N 7.44 0.33 -0.02 0.00 -0.04 -1.26 0.05 135.00 141.49 1wlo n PRO 73 Ca 0.19 0.07 -0.15 0.00 -0.04 0.00 0.00 63.50 63.57 1wlo n PRO 73 Cb 0.43 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.25 1wlo n PRO 73 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1wlo n THR 74 N -1.28 1.66 -0.07 0.52 -2.24 -1.26 -2.96 114.28 108.65 1wlo n THR 74 Ca 0.11 -0.73 -0.22 0.00 -2.27 0.00 0.00 64.05 60.94 1wlo n THR 74 Cb 0.18 -1.32 -0.12 0.00 -2.10 0.00 0.00 70.33 66.96 1wlo n THR 74 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1wlo n VAL 75 N -3.23 1.62 -0.23 2.28 0.31 -1.10 -4.24 118.33 113.74 1wlo n VAL 75 Ca -0.26 -0.37 -0.07 0.00 -0.01 0.00 0.00 64.34 63.63 1wlo n VAL 75 Cb 1.05 -1.84 0.04 0.00 -0.91 0.00 0.00 33.84 32.19 1wlo n VAL 75 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1wlo h LYS 76 N -0.49 0.92 -0.17 5.55 3.64 -0.60 -3.05 116.57 122.37 1wlo h LYS 76 Ca -0.45 -0.13 0.01 0.00 -1.27 0.00 0.00 60.65 58.81 1wlo h LYS 76 Cb 1.69 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 33.32 1wlo h LYS 76 CO -0.11 0.73 -0.10 0.00 -2.27 0.00 0.00 179.45 177.70 1wlo n ALA 77 N -2.35 -0.11 -0.25 5.00 0.00 -1.16 -0.00 120.51 121.64 1wlo n ALA 77 Ca 0.05 0.14 0.01 0.00 0.00 0.00 0.00 53.44 53.64 1wlo n ALA 77 Cb 0.12 0.36 0.08 0.00 0.00 0.00 0.00 19.45 20.01 1wlo n ALA 77 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1wlo h PHE 78 N 0.00 -0.41 -0.71 0.00 3.57 -1.72 0.33 116.94 118.00 1wlo h PHE 78 Ca 0.03 0.07 0.15 0.00 3.53 0.00 0.00 57.97 61.74 1wlo h PHE 78 Cb 0.07 0.30 -0.13 0.00 2.79 0.00 0.00 35.95 38.98 1wlo h PHE 78 CO -0.90 -0.32 -0.08 0.00 -2.23 0.00 0.00 178.31 174.78 1wlo h ALA 79 N 1.71 0.60 -0.03 2.41 0.00 -0.33 1.14 119.26 124.77 1wlo h ALA 79 Ca 0.35 0.25 -0.03 0.00 0.00 0.00 0.00 54.91 55.48 1wlo h ALA 79 Cb 0.54 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1wlo h ALA 79 CO -0.76 -0.42 -0.12 0.78 0.00 0.00 0.00 179.25 178.74 1wlo h GLY 80 N 0.05 0.04 0.67 0.00 0.00 0.19 -1.27 103.07 102.76 1wlo h GLY 80 Ca 0.36 -0.02 -0.06 0.00 0.00 0.00 0.00 47.33 47.61 1wlo h GLY 80 CO -0.67 0.02 -0.19 -2.00 0.00 0.00 0.00 176.54 173.69 1wlo h LEU 81 N 0.04 0.33 -1.37 3.11 5.85 0.23 -0.72 115.31 122.78 1wlo h LEU 81 Ca 0.01 -0.56 0.04 0.00 0.84 0.00 0.00 57.88 58.21 1wlo h LEU 81 Cb 0.24 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 1wlo h LEU 81 CO 0.02 0.83 0.46 -0.07 -0.34 0.00 0.00 178.44 179.34 1wlo h LEU 82 N -0.15 0.70 -0.07 2.25 3.38 0.20 0.30 115.31 121.93 1wlo h LEU 82 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wlo h LEU 82 Cb 0.78 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1wlo h LEU 82 CO 0.04 0.48 0.00 -1.14 0.09 0.00 0.00 178.44 177.91 1wlo n ARG 83 N -4.46 0.26 0.00 1.13 0.63 -0.52 0.22 116.66 113.91 1wlo n ARG 83 Ca 0.09 0.24 0.13 0.00 -0.92 0.00 0.00 57.85 57.39 1wlo n ARG 83 Cb 0.15 -1.82 0.28 0.00 0.45 0.00 0.00 32.46 31.52 1wlo n ARG 83 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1wlo n GLU 84 N -2.27 2.01 0.00 -0.14 -0.58 0.90 -3.72 120.64 116.84 1wlo n GLU 84 Ca 0.05 -1.49 0.00 0.00 -0.42 0.00 0.00 57.16 55.30 1wlo n GLU 84 Cb 0.41 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.81 1wlo n GLU 84 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wlo n GLY 85 N 1.28 0.00 0.00 0.62 0.00 -0.29 -4.04 105.19 102.76 1wlo n GLY 85 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1wlo n GLY 85 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wlo n LEU 86 N -1.60 0.04 -2.39 0.99 7.99 0.59 -3.03 117.00 119.59 1wlo n LEU 86 Ca 0.00 0.07 -0.34 0.00 -0.01 0.00 0.00 56.01 55.73 1wlo n LEU 86 Cb 0.17 -0.46 -0.06 0.00 -0.11 0.00 0.00 43.42 42.96 1wlo n LEU 86 CO 0.00 -0.46 0.77 1.21 -1.51 0.00 0.00 177.39 177.40 1wlo n GLU 87 N -2.33 0.00 -0.06 3.23 0.00 -0.88 0.24 120.64 120.84 1wlo n GLU 87 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1wlo n GLU 87 Cb 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 31.44 30.64 1wlo n GLU 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1wlo n GLY 88 N 3.09 0.55 1.11 8.31 0.00 -0.17 -4.73 105.19 113.34 1wlo n GLY 88 Ca 0.23 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.19 1wlo n GLY 88 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wlo n GLU 89 N -2.00 0.65 -3.11 1.61 -0.58 0.66 -4.63 120.64 113.24 1wlo n GLU 89 Ca 0.00 -0.84 -0.24 0.00 -0.42 0.00 0.00 57.16 55.66 1wlo n GLU 89 Cb 0.00 -0.13 -0.00 0.00 -0.57 0.00 0.00 31.44 30.74 1wlo n GLU 89 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1wlo s SER 90 N -2.09 6.17 0.14 1.62 1.04 -1.26 0.19 113.70 119.51 1wlo s SER 90 Ca 0.18 0.53 0.24 0.00 0.48 0.00 0.00 55.95 57.37 1wlo s SER 90 Cb -0.01 -1.97 0.91 0.00 0.10 0.00 0.00 66.02 65.06 1wlo s SER 90 CO 0.12 -0.46 1.73 -0.81 0.98 0.00 0.00 173.24 174.79 1wlo n PRO 91 N -1.97 0.13 -0.05 4.02 -0.04 -1.26 -1.77 135.00 134.06 1wlo n PRO 91 Ca -0.02 0.24 -0.15 0.00 -0.04 0.00 0.00 63.50 63.53 1wlo n PRO 91 Cb 0.56 -1.70 -0.14 0.00 -0.04 0.00 0.00 33.50 32.18 1wlo n PRO 91 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1wlo n GLU 92 N -1.94 0.69 0.11 0.54 -0.58 -1.26 -3.45 120.64 114.75 1wlo n GLU 92 Ca 0.04 0.19 -0.04 0.00 -0.42 0.00 0.00 57.16 56.94 1wlo n GLU 92 Cb 0.30 -1.65 0.12 0.00 -0.57 0.00 0.00 31.44 29.63 1wlo n GLU 92 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wlo h ALA 93 N 0.49 0.85 0.36 0.62 0.00 -1.93 -2.70 119.26 116.94 1wlo h ALA 93 Ca -0.45 -0.60 -0.02 0.00 0.00 0.00 0.00 54.91 53.85 1wlo h ALA 93 Cb 2.04 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1wlo h ALA 93 CO 0.04 0.81 -0.17 0.28 0.00 0.00 0.00 179.25 180.20 1wlo h VAL 94 N 0.06 0.55 -0.99 0.00 2.07 -1.51 -2.94 116.25 113.49 1wlo h VAL 94 Ca -0.01 -0.62 0.24 0.00 0.82 0.00 0.00 66.70 67.13 1wlo h VAL 94 Cb 1.19 0.81 -0.08 0.00 -1.52 0.00 0.00 31.29 31.70 1wlo h VAL 94 CO 0.09 0.10 0.65 -0.07 0.02 0.00 0.00 177.57 178.36 1wlo h LEU 95 N -0.88 0.41 -1.00 2.57 -0.00 -1.59 1.55 115.31 116.38 1wlo h LEU 95 Ca -0.05 0.06 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 1wlo h LEU 95 Cb 0.54 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.18 1wlo h LEU 95 CO 0.08 0.12 0.00 -0.62 -0.00 0.00 0.00 178.44 178.02 1wlo n GLU 96 N -4.55 0.10 -2.82 1.13 -0.58 -1.02 -4.42 120.64 108.48 1wlo n GLU 96 Ca 0.23 0.59 -0.43 0.00 -0.42 0.00 0.00 57.16 57.13 1wlo n GLU 96 Cb 0.81 -1.83 -0.04 0.00 -0.57 0.00 0.00 31.44 29.81 1wlo n GLU 96 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1wlo s VAL 97 N -3.39 4.59 0.99 2.62 1.01 0.53 -3.60 120.40 123.16 1wlo s VAL 97 Ca -0.01 1.12 -0.15 0.00 0.00 0.00 0.00 61.98 62.94 1wlo s VAL 97 Cb 0.05 -4.33 0.19 0.00 0.00 0.00 0.00 36.38 32.29 1wlo s VAL 97 CO 0.15 -0.55 1.18 -2.16 0.00 0.00 0.00 175.10 173.72 1wlo s PRO 98 N 3.45 0.46 0.00 2.72 0.04 -1.26 -4.92 135.00 135.49 1wlo s PRO 98 Ca 0.37 0.03 0.22 0.00 0.04 0.00 0.00 61.00 61.67 1wlo s PRO 98 Cb -0.12 -1.78 1.32 0.00 0.04 0.00 0.00 34.50 33.96 1wlo s PRO 98 CO 0.19 -2.61 1.71 -0.35 0.04 0.00 0.00 177.00 175.98 1wlo n PRO 99 N -4.00 0.75 -2.59 0.56 -0.04 -1.26 -2.90 135.00 125.51 1wlo n PRO 99 Ca 0.10 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.49 1wlo n PRO 99 Cb 0.59 -1.46 0.04 0.00 -0.04 0.00 0.00 33.50 32.63 1wlo n PRO 99 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1wlo n GLY 100 N 0.48 3.16 0.11 0.55 0.00 -1.26 -4.82 105.19 103.41 1wlo n GLY 100 Ca 0.17 -1.56 0.12 0.00 0.00 0.00 0.00 46.02 44.75 1wlo n GLY 100 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1wlo n PHE 101 N -0.61 0.79 0.07 1.61 1.16 -1.14 -2.55 117.46 116.79 1wlo n PHE 101 Ca 0.18 0.27 0.10 0.00 -1.87 0.00 0.00 57.45 56.13 1wlo n PHE 101 Cb 0.85 -0.94 -0.05 0.00 -1.61 0.00 0.00 39.48 37.72 1wlo n PHE 101 CO 0.00 0.00 0.00 2.48 -1.87 0.00 0.00 176.76 177.37 1wlo n TYR 102 N -2.19 0.72 -1.56 2.97 0.18 -1.26 -4.94 117.16 111.08 1wlo n TYR 102 Ca 0.04 0.21 -0.50 0.00 1.88 0.00 0.00 57.90 59.53 1wlo n TYR 102 Cb 0.31 -0.86 -0.05 0.00 -0.38 0.00 0.00 39.34 38.37 1wlo n TYR 102 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1wlo n ARG 103 N -2.60 0.94 -2.37 -3.48 1.74 -1.06 -3.46 116.66 106.37 1wlo n ARG 103 Ca -0.03 0.33 -0.03 0.00 -0.77 0.00 0.00 57.85 57.36 1wlo n ARG 103 Cb 0.59 -1.81 0.00 0.00 -1.02 0.00 0.00 32.46 30.23 1wlo n ARG 103 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wlo n GLY 104 N 2.00 -1.00 0.98 -0.13 0.00 -1.26 -4.96 105.19 100.81 1wlo n GLY 104 Ca 0.16 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.73 1wlo n GLY 104 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1wlo n TYR 105 N -0.77 -1.43 0.00 1.61 4.01 -1.22 -5.04 117.16 114.32 1wlo n TYR 105 Ca 0.05 0.08 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 1wlo n TYR 105 Cb 0.36 0.43 0.00 0.00 -0.31 0.00 0.00 39.34 39.82 1wlo n TYR 105 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1wlo n GLY 106 N -1.24 1.34 0.64 2.72 0.00 -1.26 -4.29 105.19 103.09 1wlo n GLY 106 Ca 0.00 -0.05 0.49 0.00 0.00 0.00 0.00 46.02 46.45 1wlo n GLY 106 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wlo n LEU 107 N 0.00 0.04 0.16 0.99 7.99 -1.26 0.20 117.00 125.12 1wlo n LEU 107 Ca 0.00 1.02 -0.13 0.00 -0.01 0.00 0.00 56.01 56.88 1wlo n LEU 107 Cb 0.00 -0.51 -0.08 0.00 -0.11 0.00 0.00 43.42 42.72 1wlo n LEU 107 CO 0.00 -1.04 0.57 -0.08 -1.51 0.00 0.00 177.39 175.32 1wlo h GLU 108 N 0.00 -0.41 0.00 3.23 4.81 -1.85 0.46 114.58 120.83 1wlo h GLU 108 Ca 0.89 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 60.14 1wlo h GLU 108 Cb 3.44 0.09 0.00 0.00 0.63 0.00 0.00 28.75 32.91 1wlo h GLU 108 CO -0.09 -0.10 0.00 -0.85 -0.73 0.00 0.00 179.01 177.23 1wlo n GLU 109 N -5.15 0.08 -0.03 1.92 -0.00 0.47 -4.03 120.64 113.90 1wlo n GLU 109 Ca -0.10 0.07 -0.01 0.00 -0.00 0.00 0.00 57.16 57.12 1wlo n GLU 109 Cb 0.26 -1.59 -0.00 0.00 -0.00 0.00 0.00 31.44 30.11 1wlo n GLU 109 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.13 177.87 1wlo h PHE 110 N 0.00 0.00 -3.34 -1.84 0.04 0.23 -3.46 116.94 108.57 1wlo h PHE 110 Ca 0.00 0.00 -0.57 0.00 2.80 0.00 0.00 57.97 60.20 1wlo h PHE 110 Cb 0.57 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.64 1wlo h PHE 110 CO 0.00 0.00 -0.10 -0.06 -0.60 0.00 0.00 178.31 177.55 1wlo s PHE 111 N -1.47 3.51 0.91 -0.55 0.08 0.16 -5.03 117.98 115.60 1wlo s PHE 111 Ca -0.05 0.93 -0.16 0.00 0.12 0.00 0.00 56.93 57.77 1wlo s PHE 111 Cb 0.01 -2.59 -0.14 0.00 -0.57 0.00 0.00 43.02 39.72 1wlo s PHE 111 CO 0.07 0.14 -0.71 0.25 -0.10 0.00 0.00 175.22 174.87 1wlo n THR 112 N 3.73 0.00 0.45 0.64 -2.24 -1.26 -4.56 114.28 111.03 1wlo n THR 112 Ca -0.06 -0.48 0.13 0.00 -2.27 0.00 0.00 64.05 61.37 1wlo n THR 112 Cb 0.51 0.00 0.45 0.00 -2.10 0.00 0.00 70.33 69.19 1wlo n THR 112 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1wlo h PRO 113 N -0.87 0.00 0.00 -0.78 0.13 -1.94 -2.19 132.00 126.35 1wlo h PRO 113 Ca -0.42 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.65 1wlo h PRO 113 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1wlo h PRO 113 CO 0.24 0.00 -0.68 1.25 -0.23 0.00 0.00 178.00 178.58 1wlo h LEU 114 N 0.00 0.00 -2.45 1.56 7.12 -1.99 -3.33 115.31 116.22 1wlo h LEU 114 Ca 0.00 -0.12 0.00 0.00 0.13 0.00 0.00 57.88 57.89 1wlo h LEU 114 Cb 0.60 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.73 1wlo h LEU 114 CO 0.00 0.93 0.11 -0.09 -0.13 0.00 0.00 178.44 179.26 1wlo h ARG 115 N -1.00 0.00 -0.07 1.25 2.43 -1.91 -0.56 114.38 114.52 1wlo h ARG 115 Ca -0.08 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.07 1wlo h ARG 115 Cb 0.69 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.24 1wlo h ARG 115 CO -0.05 0.00 -0.03 -0.07 -1.51 0.00 0.00 179.97 178.31 1wlo h LEU 116 N 0.00 0.15 -0.96 3.80 3.38 -1.53 -3.02 115.31 117.12 1wlo h LEU 116 Ca 0.00 -0.41 0.35 0.00 0.09 0.00 0.00 57.88 57.90 1wlo h LEU 116 Cb 0.23 -0.04 -0.18 0.00 0.09 0.00 0.00 40.66 40.76 1wlo h LEU 116 CO 0.00 0.53 0.31 0.54 0.09 0.00 0.00 178.44 179.91 1wlo n ARG 117 N -4.78 -0.07 0.01 1.13 1.74 -0.22 0.12 116.66 114.60 1wlo n ARG 117 Ca -0.07 1.38 -0.12 0.00 -0.77 0.00 0.00 57.85 58.27 1wlo n ARG 117 Cb 0.25 -2.35 -0.07 0.00 -1.02 0.00 0.00 32.46 29.27 1wlo n ARG 117 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1wlo h GLY 118 N 0.00 0.06 0.09 -0.13 0.00 -1.63 -2.09 103.07 99.37 1wlo h GLY 118 Ca 0.72 -0.03 0.23 0.00 0.00 0.00 0.00 47.33 48.25 1wlo h GLY 118 CO -0.81 0.03 0.64 1.41 0.00 0.00 0.00 176.54 177.80 1wlo h LEU 119 N -0.10 0.45 0.26 3.11 4.07 0.99 -2.11 115.31 121.97 1wlo h LEU 119 Ca 0.01 0.06 -0.01 0.00 0.08 0.00 0.00 57.88 58.02 1wlo h LEU 119 Cb 0.16 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.89 1wlo h LEU 119 CO -0.00 0.14 -0.12 -0.33 -1.08 0.00 0.00 178.44 177.05 1wlo h GLU 120 N 0.43 -0.33 -0.63 1.13 3.07 -0.72 -3.17 114.58 114.36 1wlo h GLU 120 Ca 0.53 0.02 0.13 0.00 -0.50 0.00 0.00 59.36 59.55 1wlo h GLU 120 Cb 1.31 0.08 -0.12 0.00 -0.84 0.00 0.00 28.75 29.17 1wlo h GLU 120 CO -0.24 -0.22 -0.14 0.00 -1.40 0.00 0.00 179.01 177.01 1wlo n ALA 121 N -2.25 0.17 -0.35 3.43 0.00 -0.84 0.21 120.51 120.88 1wlo n ALA 121 Ca -0.04 0.69 -0.07 0.00 0.00 0.00 0.00 53.44 54.01 1wlo n ALA 121 Cb 0.14 -0.42 -0.04 0.00 0.00 0.00 0.00 19.45 19.12 1wlo n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wlo h ALA 122 N 1.25 -0.29 0.28 0.00 0.00 -1.39 0.71 119.26 119.81 1wlo h ALA 122 Ca 0.31 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.37 1wlo h ALA 122 Cb 0.50 1.17 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1wlo h ALA 122 CO -0.64 -0.84 -0.13 1.25 0.00 0.00 0.00 179.25 178.89 1wlo h LEU 123 N -0.07 -0.31 -0.85 0.00 7.12 0.25 -1.35 115.31 120.09 1wlo h LEU 123 Ca 0.22 -0.05 0.10 0.00 0.13 0.00 0.00 57.88 58.28 1wlo h LEU 123 Cb 0.51 0.08 -0.12 0.00 -0.53 0.00 0.00 40.66 40.60 1wlo h LEU 123 CO -0.89 -0.15 -0.52 -0.07 -0.13 0.00 0.00 178.44 176.68 1wlo h LEU 124 N -0.46 -1.87 0.21 2.25 4.07 0.57 0.84 115.31 120.93 1wlo h LEU 124 Ca -0.04 0.30 -0.00 0.00 0.08 0.00 0.00 57.88 58.22 1wlo h LEU 124 Cb 0.34 0.85 -0.02 0.00 1.08 0.00 0.00 40.66 42.91 1wlo h LEU 124 CO 0.06 -0.28 -0.30 0.03 -1.08 0.00 0.00 178.44 176.86 1wlo h ARG 125 N -0.09 -0.52 -0.86 1.13 3.08 0.44 0.24 114.38 117.79 1wlo h ARG 125 Ca 0.19 0.04 0.14 0.00 0.07 0.00 0.00 59.98 60.42 1wlo h ARG 125 Cb 0.50 0.12 -0.15 0.00 0.08 0.00 0.00 29.97 30.52 1wlo h ARG 125 CO -0.86 -0.35 -0.36 -0.07 -1.07 0.00 0.00 179.97 177.26 1wlo h LEU 126 N -0.54 -1.31 -1.49 3.04 3.38 -0.07 2.02 115.31 120.35 1wlo h LEU 126 Ca -0.02 0.28 0.11 0.00 0.09 0.00 0.00 57.88 58.34 1wlo h LEU 126 Cb 0.49 0.69 -0.05 0.00 0.09 0.00 0.00 40.66 41.88 1wlo h LEU 126 CO -0.09 -0.29 0.48 1.56 0.09 0.00 0.00 178.44 180.18 1wlo h GLN 127 N -0.05 0.54 0.00 1.13 4.20 0.11 1.68 115.11 122.71 1wlo h GLN 127 Ca 0.32 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.99 1wlo h GLN 127 Cb 0.59 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.25 1wlo h GLN 127 CO -0.89 0.36 -0.09 0.00 -0.67 0.00 0.00 178.83 177.54 1wlo n ALA 128 N -2.49 2.49 -0.09 3.87 0.00 0.60 -2.55 120.51 122.34 1wlo n ALA 128 Ca 0.12 -0.12 -0.12 0.00 0.00 0.00 0.00 53.44 53.33 1wlo n ALA 128 Cb 0.39 -1.41 -0.15 0.00 0.00 0.00 0.00 19.45 18.28 1wlo n ALA 128 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1wlo n GLN 129 N -1.72 0.68 -0.07 0.00 7.27 0.34 -4.39 117.38 119.49 1wlo n GLN 129 Ca 0.06 0.08 -0.13 0.00 0.07 0.00 0.00 57.00 57.08 1wlo n GLN 129 Cb 0.37 -1.56 -0.06 0.00 2.41 0.00 0.00 30.24 31.40 1wlo n GLN 129 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1wlo h VAL 130 N 0.00 1.32 -1.67 1.69 2.07 0.20 -2.91 116.25 116.96 1wlo h VAL 130 Ca -0.52 -1.29 0.52 0.00 0.82 0.00 0.00 66.70 66.24 1wlo h VAL 130 Cb 2.13 1.72 -0.11 0.00 -1.52 0.00 0.00 31.29 33.51 1wlo h VAL 130 CO 0.01 0.39 1.15 0.54 0.02 0.00 0.00 177.57 179.68 1wlo n ARG 131 N -4.49 -0.02 -0.03 1.57 1.74 -1.06 0.22 116.66 114.60 1wlo n ARG 131 Ca -0.05 1.16 -0.13 0.00 -0.77 0.00 0.00 57.85 58.05 1wlo n ARG 131 Cb 0.37 -2.47 -0.10 0.00 -1.02 0.00 0.00 32.46 29.24 1wlo n ARG 131 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1wlo h LYS 132 N 0.00 0.06 -0.55 5.56 6.56 -1.74 -2.94 116.57 123.51 1wlo h LYS 132 Ca 0.90 -0.04 0.16 0.00 -1.06 0.00 0.00 60.65 60.61 1wlo h LYS 132 Cb 3.29 0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 34.94 1wlo h LYS 132 CO -0.23 0.67 0.57 0.00 -2.06 0.00 0.00 179.45 178.40 1wlo h ALA 133 N 0.39 2.31 -0.16 3.86 0.00 0.27 1.06 119.26 126.99 1wlo h ALA 133 Ca -0.00 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1wlo h ALA 133 Cb 0.67 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1wlo h ALA 133 CO 0.01 -0.86 0.13 -0.07 0.00 0.00 0.00 179.25 178.47 1wlo h LEU 134 N 0.00 0.00 -0.64 0.00 3.38 -1.06 0.72 115.31 117.72 1wlo h LEU 134 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1wlo h LEU 134 Cb 1.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.15 1wlo h LEU 134 CO -0.00 0.00 -0.15 1.07 0.09 0.00 0.00 178.44 179.44 1wlo n THR 135 N -4.17 0.00 -0.49 0.22 5.66 0.37 -5.13 114.28 110.74 1wlo n THR 135 Ca 0.01 -0.17 0.00 0.00 -3.05 0.00 0.00 64.05 60.84 1wlo n THR 135 Cb 0.26 0.39 0.00 0.00 -1.55 0.00 0.00 70.33 69.43 1wlo n THR 135 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78