#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wlo s VAL 2 N 0.00 2.12 0.88 3.17 1.01 -1.26 -1.98 120.40 124.34 1wlo s VAL 2 Ca 0.00 -1.15 -0.12 0.00 0.00 0.00 0.00 61.98 60.71 1wlo s VAL 2 Cb 0.00 -1.75 0.12 0.00 0.00 0.00 0.00 36.38 34.75 1wlo s VAL 2 CO 0.00 0.53 1.13 -2.16 0.00 0.00 0.00 175.10 174.60 1wlo s PRO 3 N -0.75 1.38 -0.04 2.72 0.04 -1.26 -4.88 135.00 132.21 1wlo s PRO 3 Ca 0.10 0.38 -0.24 0.00 0.04 0.00 0.00 61.00 61.29 1wlo s PRO 3 Cb -0.10 -1.86 -0.22 0.00 0.04 0.00 0.00 34.50 32.36 1wlo s PRO 3 CO -0.00 -2.05 1.07 -1.00 0.04 0.00 0.00 177.00 175.06 1wlo h PRO 4 N -1.39 0.21 -0.99 0.56 0.13 -1.96 -0.91 132.00 127.64 1wlo h PRO 4 Ca -0.50 -0.20 0.28 0.00 -0.87 0.00 0.00 66.00 64.71 1wlo h PRO 4 Cb 1.32 0.05 -0.18 0.00 0.13 0.00 0.00 31.00 32.31 1wlo h PRO 4 CO 0.61 0.90 0.04 1.63 -0.23 0.00 0.00 178.00 180.96 1wlo n LYS 5 N -4.50 -0.08 -0.02 0.86 4.76 -1.26 0.19 118.16 118.12 1wlo n LYS 5 Ca -0.09 1.48 -0.04 0.00 -2.87 0.00 0.00 58.31 56.79 1wlo n LYS 5 Cb 0.50 -2.37 -0.03 0.00 -1.84 0.00 0.00 35.03 31.29 1wlo n LYS 5 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1wlo h LEU 6 N 0.00 -0.07 -1.66 -0.35 5.85 -1.68 -3.10 115.31 114.31 1wlo h LEU 6 Ca 0.61 -0.16 0.49 0.00 0.84 0.00 0.00 57.88 59.66 1wlo h LEU 6 Cb 1.27 0.02 -0.11 0.00 0.37 0.00 0.00 40.66 42.21 1wlo h LEU 6 CO -0.93 0.50 1.07 0.50 -0.34 0.00 0.00 178.44 179.24 1wlo h LYS 7 N -1.01 0.03 -0.09 1.25 1.63 0.39 1.66 116.57 120.43 1wlo h LYS 7 Ca -0.01 -0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.77 1wlo h LYS 7 Cb 0.22 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.84 1wlo h LYS 7 CO 0.01 0.02 -0.03 0.37 -3.45 0.00 0.00 179.45 176.37 1wlo h GLN 8 N 0.03 0.18 0.11 1.90 4.15 0.21 0.12 115.11 121.83 1wlo h GLN 8 Ca 0.86 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 60.20 1wlo h GLN 8 Cb 3.05 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 30.73 1wlo h GLN 8 CO -0.25 0.52 -0.06 0.00 -1.93 0.00 0.00 178.83 177.11 1wlo h ALA 9 N 0.66 -0.15 0.29 3.38 0.00 0.23 0.45 119.26 124.12 1wlo h ALA 9 Ca 0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1wlo h ALA 9 Cb 0.46 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1wlo h ALA 9 CO 0.01 -0.49 -0.36 -0.07 0.00 0.00 0.00 179.25 178.34 1wlo h LEU 10 N -0.36 -1.02 -0.49 0.00 3.38 -0.47 0.59 115.31 116.95 1wlo h LEU 10 Ca -0.02 0.09 0.10 0.00 0.09 0.00 0.00 57.88 58.14 1wlo h LEU 10 Cb 0.29 0.35 -0.08 0.00 0.09 0.00 0.00 40.66 41.30 1wlo h LEU 10 CO 0.03 -0.46 -0.03 -0.33 0.09 0.00 0.00 178.44 177.74 1wlo h GLU 11 N -0.68 0.08 0.06 1.13 5.08 -0.76 0.10 114.58 119.59 1wlo h GLU 11 Ca -0.04 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1wlo h GLU 11 Cb 0.60 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1wlo h GLU 11 CO -0.08 0.05 -0.08 1.25 -1.00 0.00 0.00 179.01 179.15 1wlo h LEU 12 N 0.08 -0.24 -0.86 1.33 7.12 0.32 -0.59 115.31 122.48 1wlo h LEU 12 Ca 0.24 0.02 0.08 0.00 0.13 0.00 0.00 57.88 58.35 1wlo h LEU 12 Cb 0.37 0.08 -0.10 0.00 -0.53 0.00 0.00 40.66 40.48 1wlo h LEU 12 CO -0.44 -0.10 -0.52 0.15 -0.13 0.00 0.00 178.44 177.40 1wlo h PHE 13 N -0.15 -1.67 -1.26 1.25 3.57 0.49 1.92 116.94 121.09 1wlo h PHE 13 Ca -0.01 0.11 0.37 0.00 3.53 0.00 0.00 57.97 61.97 1wlo h PHE 13 Cb 0.13 0.84 -0.08 0.00 2.79 0.00 0.00 35.95 39.63 1wlo h PHE 13 CO -0.18 -0.33 0.86 -0.22 -2.23 0.00 0.00 178.31 176.20 1wlo h LYS 14 N -0.02 0.14 0.10 1.11 3.64 -0.85 1.25 116.57 121.93 1wlo h LYS 14 Ca 0.14 -0.01 -0.28 0.00 -1.27 0.00 0.00 60.65 59.23 1wlo h LYS 14 Cb 0.37 -0.03 0.02 0.00 -0.41 0.00 0.00 32.23 32.18 1wlo h LYS 14 CO -0.82 0.09 -1.19 1.03 -2.27 0.00 0.00 179.45 176.29 1wlo h SER 15 N 0.14 0.76 -3.66 4.20 0.87 0.43 -3.46 113.55 112.84 1wlo h SER 15 Ca 0.67 -0.70 -0.55 0.00 -1.23 0.00 0.00 61.79 59.98 1wlo h SER 15 Cb 2.26 -0.24 0.18 0.00 -0.44 0.00 0.00 62.40 64.17 1wlo h SER 15 CO -0.19 1.51 -0.06 0.18 -0.53 0.00 0.00 176.83 177.74 1wlo n LEU 16 N -3.75 2.56 -4.73 2.23 4.77 0.43 -4.91 117.00 113.59 1wlo n LEU 16 Ca -0.12 0.60 -0.41 0.00 -0.03 0.00 0.00 56.01 56.05 1wlo n LEU 16 Cb 0.96 -1.35 -0.04 0.00 -2.33 0.00 0.00 43.42 40.67 1wlo n LEU 16 CO 0.56 -2.43 0.82 -2.16 -1.33 0.00 0.00 177.39 172.85 1wlo s PRO 17 N -3.35 4.55 0.02 3.23 0.04 -1.26 -4.72 135.00 133.50 1wlo s PRO 17 Ca 0.69 1.74 -0.03 0.00 0.04 0.00 0.00 61.00 63.45 1wlo s PRO 17 Cb -0.32 -3.29 -0.01 0.00 0.04 0.00 0.00 34.50 30.92 1wlo s PRO 17 CO 0.54 -0.01 0.82 1.17 0.04 0.00 0.00 177.00 179.56 1wlo n LYS 18 N 2.70 -0.04 -0.27 4.56 4.81 -1.26 0.15 118.16 128.81 1wlo n LYS 18 Ca 0.04 0.82 0.07 0.00 -0.87 0.00 0.00 58.31 58.37 1wlo n LYS 18 Cb 0.46 -1.22 0.15 0.00 0.02 0.00 0.00 35.03 34.44 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 -3.05 -0.06 0.04 1.64 0.28 -1.26 0.14 120.64 118.36 1wlo n GLU 19 Ca 0.00 1.15 -0.13 0.00 -0.16 0.00 0.00 57.16 58.03 1wlo n GLU 19 Cb 0.03 -1.76 -0.09 0.00 1.43 0.00 0.00 31.44 31.04 1wlo n GLU 19 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1wlo h LEU 20 N 0.00 -0.12 -1.42 -1.84 3.38 0.94 -3.00 115.31 113.26 1wlo h LEU 20 Ca 0.40 -0.38 0.40 0.00 0.09 0.00 0.00 57.88 58.39 1wlo h LEU 20 Cb 0.69 0.03 -0.12 0.00 0.09 0.00 0.00 40.66 41.35 1wlo h LEU 20 CO -0.75 0.35 0.82 0.03 0.09 0.00 0.00 178.44 178.98 1wlo h ARG 21 N -0.61 0.13 0.15 1.13 3.08 0.99 0.83 114.38 120.09 1wlo h ARG 21 Ca -0.01 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1wlo h ARG 21 Cb 0.49 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1wlo h ARG 21 CO 0.02 0.09 -0.07 1.03 -1.07 0.00 0.00 179.97 179.97 1wlo h SER 22 N 0.14 -0.17 0.11 7.04 0.87 -0.36 -0.87 113.55 120.31 1wlo h SER 22 Ca 0.77 -0.01 -0.13 0.00 -1.23 0.00 0.00 61.79 61.19 1wlo h SER 22 Cb 2.39 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 64.38 1wlo h SER 22 CO -0.38 -0.11 -0.45 0.06 -0.53 0.00 0.00 176.83 175.42 1wlo h GLN 23 N -0.22 0.42 0.04 2.24 3.07 0.37 -2.97 115.11 118.05 1wlo h GLN 23 Ca -0.02 -0.22 -0.00 0.00 0.09 0.00 0.00 58.65 58.49 1wlo h GLN 23 Cb 0.17 0.01 -0.00 0.00 0.08 0.00 0.00 27.48 27.74 1wlo h GLN 23 CO 0.03 0.79 -0.03 0.28 0.09 0.00 0.00 178.83 179.99 1wlo h VAL 24 N 0.34 0.00 -0.99 1.86 2.07 0.37 0.47 116.25 120.36 1wlo h VAL 24 Ca 0.02 0.00 0.36 0.00 0.82 0.00 0.00 66.70 67.91 1wlo h VAL 24 Cb 0.93 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.53 1wlo h VAL 24 CO 0.08 0.00 0.48 -0.07 0.02 0.00 0.00 177.57 178.08 1wlo h LEU 25 N -0.07 0.28 0.27 2.57 3.38 -1.24 0.97 115.31 121.48 1wlo h LEU 25 Ca -0.00 0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1wlo h LEU 25 Cb 0.06 0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1wlo h LEU 25 CO -0.00 -0.32 -0.13 -0.07 0.09 0.00 0.00 178.44 178.01 1wlo h LEU 26 N 0.11 -0.30 -0.11 1.67 3.38 -1.21 -3.04 115.31 115.80 1wlo h LEU 26 Ca 0.77 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.74 1wlo h LEU 26 Cb 1.91 0.08 -0.06 0.00 0.09 0.00 0.00 40.66 42.67 1wlo h LEU 26 CO -0.73 -0.15 -0.45 -0.33 0.09 0.00 0.00 178.44 176.87 1wlo h GLU 27 N -0.44 -0.51 -0.76 1.13 5.08 0.57 -2.06 114.58 117.60 1wlo h GLU 27 Ca -0.04 0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.45 1wlo h GLU 27 Cb 0.33 0.12 -0.10 0.00 0.50 0.00 0.00 28.75 29.59 1wlo h GLU 27 CO 0.06 -0.34 -0.38 0.66 -1.00 0.00 0.00 179.01 178.01 1wlo n TYR 28 N -5.44 -0.18 -0.24 4.33 4.02 -0.20 0.24 117.16 119.69 1wlo n TYR 28 Ca -0.05 0.94 0.04 0.00 -0.01 0.00 0.00 57.90 58.82 1wlo n TYR 28 Cb 0.37 -0.66 0.16 0.00 -0.02 0.00 0.00 39.34 39.19 1wlo n TYR 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1wlo h ALA 29 N 0.67 0.92 0.00 -0.72 0.00 -1.28 1.13 119.26 119.98 1wlo h ALA 29 Ca 0.18 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 1wlo h ALA 29 Cb 0.37 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1wlo h ALA 29 CO -0.73 -0.27 -0.07 0.00 0.00 0.00 0.00 179.25 178.17 1wlo h ALA 30 N 1.54 1.48 0.08 0.00 0.00 0.36 -0.61 119.26 122.11 1wlo h ALA 30 Ca 0.38 -0.07 -0.25 0.00 0.00 0.00 0.00 54.91 54.97 1wlo h ALA 30 Cb 0.59 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1wlo h ALA 30 CO -0.43 0.09 -1.14 0.87 0.00 0.00 0.00 179.25 178.64 1wlo h LYS 31 N 0.00 0.20 -5.82 0.00 6.56 0.47 -3.44 116.57 114.54 1wlo h LYS 31 Ca -0.00 -0.33 -0.61 0.00 -1.06 0.00 0.00 60.65 58.65 1wlo h LYS 31 Cb 0.18 0.12 -0.02 0.00 -0.57 0.00 0.00 32.23 31.94 1wlo h LYS 31 CO 0.01 1.14 1.50 0.28 -2.06 0.00 0.00 179.45 180.32 1wlo n VAL 32 N -3.50 0.14 -1.57 0.50 0.31 0.11 -4.91 118.33 109.41 1wlo n VAL 32 Ca -0.06 -0.34 -0.31 0.00 -0.01 0.00 0.00 64.34 63.62 1wlo n VAL 32 Cb 0.98 -1.81 0.06 0.00 -0.91 0.00 0.00 33.84 32.16 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 6.88 2.68 0.56 5.55 0.04 -1.26 -5.00 135.00 144.45 1wlo s PRO 33 Ca 1.10 0.86 -0.17 0.00 0.04 0.00 0.00 61.00 62.82 1wlo s PRO 33 Cb -0.73 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 31.79 1wlo s PRO 33 CO 0.44 -1.25 1.05 -1.25 0.04 0.00 0.00 177.00 176.02 1wlo s PRO 34 N -5.08 3.51 0.33 0.56 0.04 -1.26 -4.76 135.00 128.33 1wlo s PRO 34 Ca 0.59 1.22 -0.27 0.00 0.04 0.00 0.00 61.00 62.57 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 0.55 -0.66 1.07 -1.25 0.04 0.00 0.00 177.00 176.75 1wlo s PRO 35 N -3.86 4.46 0.77 0.56 0.04 -1.26 -5.02 135.00 130.68 1wlo s PRO 35 Ca 0.64 1.67 -0.11 0.00 0.04 0.00 0.00 61.00 63.24 1wlo s PRO 35 Cb -0.15 -2.93 0.05 0.00 0.04 0.00 0.00 34.50 31.51 1wlo s PRO 35 CO 0.32 0.08 1.09 -1.25 0.04 0.00 0.00 177.00 177.28 1wlo s PRO 36 N -1.86 2.34 0.17 0.56 0.04 -1.26 -5.01 135.00 129.98 1wlo s PRO 36 Ca 0.50 0.73 -0.30 0.00 0.04 0.00 0.00 61.00 61.97 1wlo s PRO 36 Cb -0.28 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.25 1wlo s PRO 36 CO 0.35 -1.47 1.12 -1.25 0.04 0.00 0.00 177.00 175.80 1wlo s PRO 37 N -5.12 4.57 0.00 0.56 0.04 -1.26 -3.10 135.00 130.68 1wlo s PRO 37 Ca 0.60 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.38 1wlo s PRO 37 Cb -0.14 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.12 1wlo s PRO 37 CO 0.54 0.02 0.00 0.41 0.04 0.00 0.00 177.00 178.02 1wlo n GLY 38 N 2.14 2.88 3.72 0.56 0.00 -1.26 -5.05 105.19 108.18 1wlo n GLY 38 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.71 3.25 -0.32 1.61 1.01 -1.18 -4.98 120.40 117.07 1wlo s VAL 39 Ca 0.00 0.90 -0.12 0.00 0.00 0.00 0.00 61.98 62.76 1wlo s VAL 39 Cb 0.00 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 1wlo s VAL 39 CO 0.00 0.07 0.22 -0.70 0.00 0.00 0.00 175.10 174.69 1wlo s GLU 40 N 1.09 3.56 -0.00 2.72 2.12 -1.26 -4.98 118.70 121.95 1wlo s GLU 40 Ca 0.65 -0.59 0.01 0.00 0.36 0.00 0.00 54.97 55.40 1wlo s GLU 40 Cb -0.37 -3.74 -0.04 0.00 0.26 0.00 0.00 34.13 30.24 1wlo s GLU 40 CO 0.30 -0.39 0.03 -0.51 -0.54 0.00 0.00 175.26 174.15 1wlo s LEU 41 N 1.71 3.64 -0.11 2.70 1.02 -1.26 -4.71 118.68 121.68 1wlo s LEU 41 Ca 0.06 0.04 -0.02 0.00 0.02 0.00 0.00 54.13 54.23 1wlo s LEU 41 Cb -0.17 -2.10 -0.03 0.00 0.02 0.00 0.00 46.19 43.91 1wlo s LEU 41 CO 0.10 0.28 -0.02 -0.70 0.02 0.00 0.00 176.35 176.02 1wlo s GLU 42 N -1.63 3.21 0.48 1.70 -6.30 0.13 -4.76 118.70 111.54 1wlo s GLU 42 Ca 0.21 -0.47 -0.23 0.00 -2.50 0.00 0.00 54.97 51.98 1wlo s GLU 42 Cb -0.12 -2.82 -0.07 0.00 0.00 0.00 0.00 34.13 31.13 1wlo s GLU 42 CO 0.12 0.53 1.23 0.50 0.02 0.00 0.00 175.26 177.65 1wlo s ARG 43 N -0.40 3.57 -0.75 4.30 3.52 -1.26 -1.10 118.95 126.83 1wlo s ARG 43 Ca 0.07 1.92 -0.11 0.00 -0.13 0.00 0.00 55.73 57.48 1wlo s ARG 43 Cb -0.12 -2.37 0.20 0.00 -1.56 0.00 0.00 34.95 31.10 1wlo s ARG 43 CO 0.02 -0.74 0.67 0.08 -0.81 0.00 0.00 175.30 174.51 1wlo s VAL 44 N -1.47 5.12 0.24 7.11 1.01 0.54 -4.90 120.40 128.05 1wlo s VAL 44 Ca 0.66 -2.51 -0.05 0.00 0.00 0.00 0.00 61.98 60.08 1wlo s VAL 44 Cb -0.32 -4.20 0.20 0.00 0.00 0.00 0.00 36.38 32.06 1wlo s VAL 44 CO 0.39 -0.98 1.77 0.45 0.00 0.00 0.00 175.10 176.73 1wlo h HIS 45 N 7.69 0.66 -1.60 5.22 3.86 -1.89 0.17 115.15 129.26 1wlo h HIS 45 Ca 0.05 0.03 0.47 0.00 -1.16 0.00 0.00 60.37 59.76 1wlo h HIS 45 Cb 1.02 -0.18 -0.07 0.00 1.06 0.00 0.00 27.41 29.24 1wlo h HIS 45 CO 0.93 0.19 1.15 1.49 0.86 0.00 0.00 177.93 182.55 1wlo h GLU 46 N 0.59 0.01 -5.39 2.45 4.81 -1.90 -3.35 114.58 111.81 1wlo h GLU 46 Ca 0.39 -0.00 -0.60 0.00 -0.13 0.00 0.00 59.36 59.02 1wlo h GLU 46 Cb 0.49 -0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.76 1wlo h GLU 46 CO -0.32 0.01 -0.43 0.00 -0.73 0.00 0.00 179.01 177.54 1wlo h GLN 48 N 6.48 0.30 -7.27 0.00 4.20 -1.81 -3.42 115.11 113.59 1wlo h GLN 48 Ca -0.43 -0.02 -0.51 0.00 0.06 0.00 0.00 58.65 57.76 1wlo h GLN 48 Cb 1.16 -0.07 0.09 0.00 0.30 0.00 0.00 27.48 28.97 1wlo h GLN 48 CO 0.74 0.20 0.36 0.95 -0.67 0.00 0.00 178.83 180.41 1wlo s THR 49 N -6.12 3.70 -1.13 -0.54 -4.23 -1.26 -4.89 115.64 101.17 1wlo s THR 49 Ca -0.13 0.66 -0.15 0.00 -1.18 0.00 0.00 61.69 60.89 1wlo s THR 49 Cb 0.16 -3.25 -0.07 0.00 1.34 0.00 0.00 72.50 70.68 1wlo s THR 49 CO 0.73 -0.61 2.19 -0.81 -0.54 0.00 0.00 174.62 175.58 1wlo n PRO 50 N -2.76 2.32 -3.04 3.99 -0.04 -1.26 -4.75 135.00 129.46 1wlo n PRO 50 Ca 0.09 -2.07 -0.41 0.00 -0.04 0.00 0.00 63.50 61.07 1wlo n PRO 50 Cb 0.53 -2.94 -0.06 0.00 -0.04 0.00 0.00 33.50 30.99 1wlo n PRO 50 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1wlo s PHE 51 N 3.78 3.28 0.37 0.54 5.36 -1.26 -4.61 117.98 125.43 1wlo s PHE 51 Ca 0.52 0.87 0.07 0.00 -0.96 0.00 0.00 56.93 57.44 1wlo s PHE 51 Cb 0.14 -2.94 -0.00 0.00 -0.34 0.00 0.00 43.02 39.88 1wlo s PHE 51 CO 0.00 -0.38 0.50 -0.06 -1.46 0.00 0.00 175.22 173.82 1wlo s PHE 52 N 2.64 2.99 0.28 10.12 0.08 -1.19 0.20 117.98 133.10 1wlo s PHE 52 Ca 0.29 -0.29 -0.21 0.00 0.12 0.00 0.00 56.93 56.84 1wlo s PHE 52 Cb -0.15 -2.13 0.02 0.00 -0.57 0.00 0.00 43.02 40.19 1wlo s PHE 52 CO 0.09 -0.15 0.74 0.54 -0.10 0.00 0.00 175.22 176.34 1wlo s VAL 53 N -2.25 0.00 -0.01 -0.44 0.11 -0.26 -3.62 120.40 113.94 1wlo s VAL 53 Ca 0.48 -0.98 -0.28 0.00 -2.93 0.00 0.00 61.98 58.27 1wlo s VAL 53 Cb -0.09 -2.04 0.10 0.00 -1.53 0.00 0.00 36.38 32.81 1wlo s VAL 53 CO 0.32 0.00 0.83 -2.28 -3.33 0.00 0.00 175.10 170.64 1wlo s HIS 54 N -3.80 -0.42 -0.11 1.54 2.46 -1.07 0.21 115.29 114.09 1wlo s HIS 54 Ca 0.11 0.40 -0.06 0.00 0.47 0.00 0.00 55.06 55.98 1wlo s HIS 54 Cb -0.06 0.51 0.05 0.00 -0.13 0.00 0.00 32.58 32.95 1wlo s HIS 54 CO 0.07 -0.57 0.27 0.00 -2.47 0.00 0.00 174.74 172.04 1wlo s ALA 55 N -2.70 -0.64 0.12 1.58 0.00 -1.26 -3.19 121.76 115.67 1wlo s ALA 55 Ca 0.01 1.06 -0.10 0.00 0.00 0.00 0.00 51.96 52.93 1wlo s ALA 55 Cb -0.01 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.46 1wlo s ALA 55 CO -0.06 -0.20 0.26 -0.51 0.00 0.00 0.00 175.76 175.25 1wlo s ASP 56 N 1.19 0.02 -0.29 0.00 1.01 -1.12 -4.44 116.67 113.05 1wlo s ASP 56 Ca -0.09 -0.63 0.03 0.00 0.71 0.00 0.00 52.55 52.57 1wlo s ASP 56 Cb -0.09 0.40 0.08 0.00 1.01 0.00 0.00 42.92 44.31 1wlo s ASP 56 CO -0.08 -0.80 -0.03 -0.69 0.21 0.00 0.00 175.17 173.77 1wlo s VAL 57 N -3.87 2.09 -0.53 -1.27 1.01 -1.26 0.13 120.40 116.70 1wlo s VAL 57 Ca 0.07 -1.85 -0.17 0.00 0.00 0.00 0.00 61.98 60.03 1wlo s VAL 57 Cb 0.04 -2.36 0.09 0.00 0.00 0.00 0.00 36.38 34.15 1wlo s VAL 57 CO -0.08 -0.28 0.54 -0.70 0.00 0.00 0.00 175.10 174.58 1wlo s GLU 58 N 1.08 3.03 0.00 2.72 2.12 0.12 -4.77 118.70 122.99 1wlo s GLU 58 Ca -0.00 -1.36 0.00 0.00 0.36 0.00 0.00 54.97 53.97 1wlo s GLU 58 Cb -0.19 -4.21 0.00 0.00 0.26 0.00 0.00 34.13 29.99 1wlo s GLU 58 CO -0.07 -1.28 0.00 0.41 -0.54 0.00 0.00 175.26 173.78 1wlo n GLY 59 N 5.23 2.29 0.53 -1.50 0.00 -1.26 -2.59 105.19 107.89 1wlo n GLY 59 Ca -0.11 0.04 -0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 0.81 3.15 -0.02 0.00 -1.26 -5.11 105.19 102.76 1wlo n GLY 60 Ca 0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 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 0.77 -0.24 1.61 1.02 -1.07 -4.64 119.74 117.18 1wlo s LYS 61 Ca 0.01 -0.95 -0.18 0.00 0.02 0.00 0.00 55.97 54.87 1wlo s LYS 61 Cb 0.01 -0.68 -0.03 0.00 -0.52 0.00 0.00 37.83 36.61 1wlo s LYS 61 CO -0.00 0.14 0.50 0.14 -0.92 0.00 0.00 175.35 175.21 1wlo s VAL 62 N -1.46 5.09 -0.55 3.17 -7.23 0.01 0.13 120.40 119.56 1wlo s VAL 62 Ca -0.03 0.88 -0.20 0.00 -1.81 0.00 0.00 61.98 60.83 1wlo s VAL 62 Cb -0.09 -3.82 0.07 0.00 0.56 0.00 0.00 36.38 33.10 1wlo s VAL 62 CO 0.02 0.12 0.70 -0.13 -0.31 0.00 0.00 175.10 175.50 1wlo s ARG 63 N 2.06 3.10 0.24 4.82 1.81 0.35 -1.90 118.95 129.44 1wlo s ARG 63 Ca 0.22 -1.01 -0.17 0.00 -1.72 0.00 0.00 55.73 53.04 1wlo s ARG 63 Cb -0.16 -4.17 -0.08 0.00 -0.45 0.00 0.00 34.95 30.09 1wlo s ARG 63 CO 0.09 -1.40 0.70 -0.51 -0.68 0.00 0.00 175.30 173.50 1wlo s LEU 64 N 2.84 4.26 0.00 2.53 1.43 -1.26 -2.80 118.68 125.68 1wlo s LEU 64 Ca 0.15 1.32 -0.12 0.00 -1.03 0.00 0.00 54.13 54.45 1wlo s LEU 64 Cb -0.20 -3.69 0.01 0.00 0.03 0.00 0.00 46.19 42.34 1wlo s LEU 64 CO 0.10 -0.03 0.25 -0.31 0.23 0.00 0.00 176.35 176.59 1wlo s TYR 65 N -1.66 -0.08 -0.02 0.29 2.02 -1.19 -5.01 117.35 111.70 1wlo s TYR 65 Ca 0.46 0.05 -0.20 0.00 -0.37 0.00 0.00 57.07 57.01 1wlo s TYR 65 Cb -0.14 0.04 0.04 0.00 -0.40 0.00 0.00 41.96 41.49 1wlo s TYR 65 CO 0.20 -0.38 0.42 -0.06 -1.57 0.00 0.00 175.55 174.16 1wlo s PHE 66 N -1.65 -0.32 -0.16 2.71 0.40 -1.26 -2.61 117.98 115.09 1wlo s PHE 66 Ca -0.12 0.50 -0.03 0.00 -0.60 0.00 0.00 56.93 56.69 1wlo s PHE 66 Cb -0.05 0.20 0.05 0.00 0.51 0.00 0.00 43.02 43.73 1wlo s PHE 66 CO 0.02 -0.47 0.03 -1.58 0.70 0.00 0.00 175.22 173.92 1wlo s HIS 67 N -1.41 0.86 -0.31 0.36 2.46 -1.24 -4.30 115.29 111.71 1wlo s HIS 67 Ca -0.12 -0.64 -0.03 0.00 0.47 0.00 0.00 55.06 54.74 1wlo s HIS 67 Cb -0.03 -0.94 0.04 0.00 -0.13 0.00 0.00 32.58 31.52 1wlo s HIS 67 CO 0.05 -0.53 0.03 0.08 -2.47 0.00 0.00 174.74 171.89 1wlo s VAL 68 N 1.91 3.23 -0.01 0.89 1.01 -1.26 -3.17 120.40 123.01 1wlo s VAL 68 Ca 0.01 -1.26 -0.01 0.00 0.00 0.00 0.00 61.98 60.72 1wlo s VAL 68 Cb -0.16 -2.82 -0.01 0.00 0.00 0.00 0.00 36.38 33.39 1wlo s VAL 68 CO -0.07 -0.09 0.27 1.55 0.00 0.00 0.00 175.10 176.75 1wlo h PRO 69 N 8.07 -0.05 -1.29 2.72 0.13 -2.00 -3.26 132.00 136.33 1wlo h PRO 69 Ca -0.23 0.00 0.37 0.00 -0.87 0.00 0.00 66.00 65.28 1wlo h PRO 69 Cb 1.07 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 32.16 1wlo h PRO 69 CO 0.56 -0.03 1.10 -0.44 -0.23 0.00 0.00 178.00 178.96 1wlo h ASP 70 N -0.16 0.00 -2.48 1.44 3.32 -1.94 -3.43 116.42 113.17 1wlo h ASP 70 Ca -0.01 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.85 1wlo h ASP 70 Cb 0.04 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.62 1wlo h ASP 70 CO 0.01 0.00 -0.29 -0.62 -1.72 0.00 0.00 179.24 176.62 1wlo n GLU 71 N -3.73 -2.49 -1.98 3.56 1.02 -1.23 -4.96 120.64 110.83 1wlo n GLU 71 Ca 0.28 0.42 -0.42 0.00 -0.02 0.00 0.00 57.16 57.43 1wlo n GLU 71 Cb 1.51 -4.27 -0.03 0.00 -0.02 0.00 0.00 31.44 28.63 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 -2.87 3.72 -1.39 0.62 0.00 -1.26 -4.87 121.76 115.71 1wlo s ALA 72 Ca 0.16 1.34 0.23 0.00 0.00 0.00 0.00 51.96 53.68 1wlo s ALA 72 Cb -0.07 -3.60 1.12 0.00 0.00 0.00 0.00 23.12 20.58 1wlo s ALA 72 CO 0.20 -0.75 1.73 -0.35 0.00 0.00 0.00 175.76 176.59 1wlo n PRO 73 N 3.55 0.29 -0.08 0.00 -0.04 -1.26 -0.84 135.00 136.62 1wlo n PRO 73 Ca 0.12 0.08 -0.21 0.00 -0.04 0.00 0.00 63.50 63.45 1wlo n PRO 73 Cb 0.39 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.23 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 -1.30 1.60 0.04 0.52 -2.24 -1.26 -3.01 114.28 108.63 1wlo n THR 74 Ca 0.10 -0.54 -0.20 0.00 -2.27 0.00 0.00 64.05 61.15 1wlo n THR 74 Cb 0.19 -1.64 -0.12 0.00 -2.10 0.00 0.00 70.33 66.66 1wlo n THR 74 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1wlo h VAL 75 N -0.17 1.35 -0.44 2.28 2.07 -1.94 -3.27 116.25 116.14 1wlo h VAL 75 Ca -0.52 -2.28 -0.09 0.00 0.82 0.00 0.00 66.70 64.63 1wlo h VAL 75 Cb 1.87 2.63 -0.01 0.00 -1.52 0.00 0.00 31.29 34.25 1wlo h VAL 75 CO -0.08 0.68 -0.08 0.50 0.02 0.00 0.00 177.57 178.61 1wlo h LYS 76 N 0.12 0.82 -0.37 1.57 3.64 -1.20 -2.93 116.57 118.21 1wlo h LYS 76 Ca -0.13 -0.31 0.03 0.00 -1.27 0.00 0.00 60.65 58.98 1wlo h LYS 76 Cb 1.63 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 33.35 1wlo h LYS 76 CO 0.18 0.93 -0.22 0.00 -2.27 0.00 0.00 179.45 178.07 1wlo n ALA 77 N -2.45 -0.24 -0.06 5.00 0.00 -1.16 -0.74 120.51 120.86 1wlo n ALA 77 Ca -0.00 0.32 -0.08 0.00 0.00 0.00 0.00 53.44 53.67 1wlo n ALA 77 Cb 0.36 0.26 -0.02 0.00 0.00 0.00 0.00 19.45 20.05 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 -0.69 -1.61 0.00 3.57 -1.62 0.22 116.94 116.81 1wlo h PHE 78 Ca 0.06 0.04 0.51 0.00 3.53 0.00 0.00 57.97 62.11 1wlo h PHE 78 Cb 0.15 0.34 -0.12 0.00 2.79 0.00 0.00 35.95 39.12 1wlo h PHE 78 CO -0.96 -0.33 1.09 0.00 -2.23 0.00 0.00 178.31 175.88 1wlo h ALA 79 N 0.78 3.24 0.12 2.41 0.00 -0.74 1.75 119.26 126.82 1wlo h ALA 79 Ca 0.14 0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.91 1wlo h ALA 79 Cb 0.48 0.21 0.02 0.00 0.00 0.00 0.00 17.79 18.50 1wlo h ALA 79 CO -0.41 -1.88 -0.83 0.78 0.00 0.00 0.00 179.25 176.91 1wlo h GLY 80 N 0.01 0.40 2.00 0.00 0.00 0.94 -2.96 103.07 103.46 1wlo h GLY 80 Ca 0.90 -0.93 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 1wlo h GLY 80 CO -0.29 0.82 -0.10 -2.00 0.00 0.00 0.00 176.54 174.97 1wlo h LEU 81 N -0.25 0.00 0.25 3.11 7.12 0.32 0.46 115.31 126.31 1wlo h LEU 81 Ca -0.14 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 57.86 1wlo h LEU 81 Cb 1.62 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.75 1wlo h LEU 81 CO 0.16 0.10 -0.12 -0.07 -0.13 0.00 0.00 178.44 178.38 1wlo h LEU 82 N 0.00 -0.28 -2.90 2.25 3.38 0.13 -3.05 115.31 114.85 1wlo h LEU 82 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1wlo h LEU 82 Cb 0.18 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1wlo h LEU 82 CO 0.01 -0.14 0.00 0.08 0.09 0.00 0.00 178.44 178.48 1wlo h ARG 83 N -0.45 0.00 0.28 1.13 0.11 -1.39 -2.38 114.38 111.68 1wlo h ARG 83 Ca -0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.05 1wlo h ARG 83 Cb 0.25 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.30 1wlo h ARG 83 CO 0.06 0.00 -0.43 0.93 0.10 0.00 0.00 179.97 180.63 1wlo h GLU 84 N 0.00 -0.74 -1.66 0.08 4.39 0.04 -2.30 114.58 114.38 1wlo h GLU 84 Ca 0.00 0.05 -0.58 0.00 0.34 0.00 0.00 59.36 59.17 1wlo h GLU 84 Cb 0.03 0.17 -0.42 0.00 -0.10 0.00 0.00 28.75 28.43 1wlo h GLU 84 CO 0.00 -0.49 -0.73 0.41 -1.16 0.00 0.00 179.01 177.04 1wlo n GLY 85 N -1.49 5.79 1.20 -3.84 0.00 -1.01 -4.66 105.19 101.18 1wlo n GLY 85 Ca -0.09 -2.73 0.00 0.00 0.00 0.00 0.00 46.02 43.20 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 -0.42 0.00 -4.65 0.99 4.77 -0.93 -3.95 117.00 112.82 1wlo n LEU 86 Ca 0.36 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.92 1wlo n LEU 86 Cb 0.61 0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.90 1wlo n LEU 86 CO 0.33 -0.30 1.58 -0.70 -1.33 0.00 0.00 177.39 176.97 1wlo s GLU 87 N -1.60 3.96 0.00 3.23 -6.30 -0.87 -0.72 118.70 116.39 1wlo s GLU 87 Ca 0.00 2.36 0.00 0.00 -2.50 0.00 0.00 54.97 54.83 1wlo s GLU 87 Cb 0.00 -4.15 0.00 0.00 0.00 0.00 0.00 34.13 29.98 1wlo s GLU 87 CO 0.00 -1.15 0.00 0.41 0.02 0.00 0.00 175.26 174.54 1wlo n GLY 88 N 4.67 3.07 0.71 -1.50 0.00 -0.80 -4.94 105.19 106.41 1wlo n GLY 88 Ca 0.21 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.96 -1.16 -3.50 1.61 -0.58 0.10 -4.43 120.64 110.72 1wlo n GLU 89 Ca 0.00 -0.36 -0.25 0.00 -0.42 0.00 0.00 57.16 56.13 1wlo n GLU 89 Cb 0.00 -0.31 -0.02 0.00 -0.57 0.00 0.00 31.44 30.54 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 -2.07 6.34 0.44 1.62 1.04 -1.26 -0.81 113.70 119.01 1wlo s SER 90 Ca 0.14 0.44 0.28 0.00 0.48 0.00 0.00 55.95 57.30 1wlo s SER 90 Cb -0.01 -2.03 0.88 0.00 0.10 0.00 0.00 66.02 64.96 1wlo s SER 90 CO 0.11 -0.20 1.79 1.55 0.98 0.00 0.00 173.24 177.47 1wlo h PRO 91 N 1.23 0.00 -0.06 4.02 0.13 -1.93 -1.02 132.00 134.37 1wlo h PRO 91 Ca -0.49 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.43 1wlo h PRO 91 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1wlo h PRO 91 CO 0.64 0.00 -0.83 0.93 -0.23 0.00 0.00 178.00 178.51 1wlo h GLU 92 N 0.00 0.48 0.14 0.86 4.39 -1.98 -2.05 114.58 116.41 1wlo h GLU 92 Ca 0.00 -0.44 -0.31 0.00 0.34 0.00 0.00 59.36 58.95 1wlo h GLU 92 Cb 0.71 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.46 1wlo h GLU 92 CO 0.00 1.08 -1.55 0.00 -1.16 0.00 0.00 179.01 177.38 1wlo h ALA 93 N 0.79 0.22 0.00 3.43 0.00 -1.90 -1.87 119.26 119.92 1wlo h ALA 93 Ca -0.06 -1.09 0.00 0.00 0.00 0.00 0.00 54.91 53.77 1wlo h ALA 93 Cb 1.43 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1wlo h ALA 93 CO 0.15 1.08 0.00 0.28 0.00 0.00 0.00 179.25 180.76 1wlo h VAL 94 N 0.08 0.00 0.08 0.00 2.07 -1.22 -2.24 116.25 115.02 1wlo h VAL 94 Ca -0.25 -0.28 -0.37 0.00 0.82 0.00 0.00 66.70 66.61 1wlo h VAL 94 Cb 2.04 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 32.94 1wlo h VAL 94 CO 0.17 0.00 -2.17 0.18 0.02 0.00 0.00 177.57 175.77 1wlo n LEU 95 N -2.83 2.69 0.02 2.57 4.77 -0.77 -3.96 117.00 119.48 1wlo n LEU 95 Ca -0.00 0.08 0.04 0.00 -0.03 0.00 0.00 56.01 56.10 1wlo n LEU 95 Cb 0.21 -1.00 0.16 0.00 -2.33 0.00 0.00 43.42 40.46 1wlo n LEU 95 CO 0.22 0.87 0.61 -0.62 -1.33 0.00 0.00 177.39 177.15 1wlo n GLU 96 N -3.38 0.02 -2.59 3.23 -0.58 -0.71 -4.61 120.64 112.03 1wlo n GLU 96 Ca -0.37 0.43 -0.42 0.00 -0.42 0.00 0.00 57.16 56.38 1wlo n GLU 96 Cb 1.03 -1.55 -0.03 0.00 -0.57 0.00 0.00 31.44 30.32 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 -3.06 4.53 0.88 2.62 1.01 -0.84 -4.46 120.40 121.08 1wlo s VAL 97 Ca 0.02 1.82 -0.12 0.00 0.00 0.00 0.00 61.98 63.70 1wlo s VAL 97 Cb 0.04 -4.17 0.12 0.00 0.00 0.00 0.00 36.38 32.37 1wlo s VAL 97 CO 0.12 0.08 1.13 -2.16 0.00 0.00 0.00 175.10 174.26 1wlo s PRO 98 N 1.50 1.43 0.00 2.72 0.04 -1.26 -4.93 135.00 134.50 1wlo s PRO 98 Ca 0.54 0.39 0.23 0.00 0.04 0.00 0.00 61.00 62.19 1wlo s PRO 98 Cb -0.23 -1.86 1.20 0.00 0.04 0.00 0.00 34.50 33.65 1wlo s PRO 98 CO 0.25 -2.02 1.75 -0.35 0.04 0.00 0.00 177.00 176.67 1wlo n PRO 99 N -3.66 0.41 -2.90 0.56 -0.04 -1.26 -3.43 135.00 124.68 1wlo n PRO 99 Ca 0.07 0.06 -0.16 0.00 -0.04 0.00 0.00 63.50 63.43 1wlo n PRO 99 Cb 0.58 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.54 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 0.61 3.08 0.10 0.55 0.00 -1.26 -4.54 105.19 103.73 1wlo n GLY 100 Ca 0.12 -1.69 0.13 0.00 0.00 0.00 0.00 46.02 44.58 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 0.04 0.90 0.47 1.61 1.16 -1.22 -3.04 117.46 117.38 1wlo n PHE 101 Ca 0.20 0.26 0.12 0.00 -1.87 0.00 0.00 57.45 56.16 1wlo n PHE 101 Cb 0.70 -0.92 0.13 0.00 -1.61 0.00 0.00 39.48 37.78 1wlo n PHE 101 CO 0.00 0.00 0.00 0.10 -1.87 0.00 0.00 176.76 174.99 1wlo h TYR 102 N 0.00 0.00 -2.03 2.97 -0.00 -1.90 -3.47 116.97 112.54 1wlo h TYR 102 Ca 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 58.73 58.11 1wlo h TYR 102 Cb 0.74 0.00 0.05 0.00 0.00 0.00 0.00 36.73 37.51 1wlo h TYR 102 CO 0.00 0.00 0.79 0.54 -0.00 0.00 0.00 178.16 179.49 1wlo n ARG 103 N -2.24 1.85 -2.08 0.10 1.74 -1.17 -3.47 116.66 111.39 1wlo n ARG 103 Ca 0.02 0.67 -0.02 0.00 -0.77 0.00 0.00 57.85 57.75 1wlo n ARG 103 Cb 0.46 -2.42 0.00 0.00 -1.02 0.00 0.00 32.46 29.49 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 3.47 -0.87 1.20 -0.13 0.00 -1.26 -4.98 105.19 102.63 1wlo n GLY 104 Ca 0.19 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.55 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 -0.70 -1.51 0.00 1.61 4.01 -1.23 -5.05 117.16 114.30 1wlo n TYR 105 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1wlo n TYR 105 Cb 0.29 0.30 0.00 0.00 -0.31 0.00 0.00 39.34 39.62 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 -1.31 0.33 0.22 2.72 0.00 -1.26 -3.93 105.19 101.96 1wlo n GLY 106 Ca 0.00 0.10 -0.00 0.00 0.00 0.00 0.00 46.02 46.12 1wlo n GLY 106 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wlo h LEU 107 N 0.00 -0.09 -1.59 0.99 4.07 -1.97 0.31 115.31 117.02 1wlo h LEU 107 Ca 0.00 0.12 0.44 0.00 0.08 0.00 0.00 57.88 58.51 1wlo h LEU 107 Cb 0.00 0.18 -0.11 0.00 1.08 0.00 0.00 40.66 41.82 1wlo h LEU 107 CO 0.00 -0.03 0.95 -0.08 -1.08 0.00 0.00 178.44 178.20 1wlo h GLU 108 N 0.20 0.08 0.00 1.13 4.81 -1.85 0.73 114.58 119.68 1wlo h GLU 108 Ca 0.30 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1wlo h GLU 108 Cb 0.45 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1wlo h GLU 108 CO -0.42 0.05 -0.22 0.93 -0.73 0.00 0.00 179.01 178.63 1wlo h GLU 109 N 0.08 0.00 -0.12 1.92 5.08 -0.85 -3.40 114.58 117.29 1wlo h GLU 109 Ca 0.79 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 59.17 1wlo h GLU 109 Cb 2.69 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.92 1wlo h GLU 109 CO -0.28 0.00 -0.08 0.74 -1.00 0.00 0.00 179.01 178.39 1wlo h PHE 110 N -1.00 -0.27 -3.94 4.33 0.04 0.20 -3.40 116.94 112.91 1wlo h PHE 110 Ca 0.00 0.02 -0.51 0.00 2.80 0.00 0.00 57.97 60.27 1wlo h PHE 110 Cb 0.22 0.13 0.06 0.00 2.20 0.00 0.00 35.95 38.56 1wlo h PHE 110 CO -0.09 -0.06 0.54 -0.06 -0.60 0.00 0.00 178.31 178.04 1wlo s PHE 111 N -3.37 3.01 0.88 -0.55 0.08 0.10 -5.00 117.98 113.14 1wlo s PHE 111 Ca -0.02 1.51 -0.11 0.00 0.12 0.00 0.00 56.93 58.44 1wlo s PHE 111 Cb 0.02 -3.48 0.12 0.00 -0.57 0.00 0.00 43.02 39.11 1wlo s PHE 111 CO 0.09 -1.53 1.11 0.95 -0.10 0.00 0.00 175.22 175.74 1wlo s THR 112 N -1.35 2.57 -1.27 0.64 -4.23 -1.26 -4.74 115.64 106.00 1wlo s THR 112 Ca 0.56 0.19 0.22 0.00 -1.18 0.00 0.00 61.69 61.48 1wlo s THR 112 Cb -0.33 -2.42 0.32 0.00 1.34 0.00 0.00 72.50 71.40 1wlo s THR 112 CO 0.42 -0.24 1.73 -0.81 -0.54 0.00 0.00 174.62 175.18 1wlo n PRO 113 N -4.00 0.20 -0.03 3.99 -0.04 -1.26 -2.10 135.00 131.76 1wlo n PRO 113 Ca 0.10 0.09 -0.02 0.00 -0.04 0.00 0.00 63.50 63.63 1wlo n PRO 113 Cb 0.53 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.48 1wlo n PRO 113 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1wlo h LEU 114 N 0.00 0.00 -0.96 1.53 7.12 -1.99 -3.36 115.31 117.64 1wlo h LEU 114 Ca 0.00 0.00 0.16 0.00 0.13 0.00 0.00 57.88 58.17 1wlo h LEU 114 Cb 0.27 0.00 -0.10 0.00 -0.53 0.00 0.00 40.66 40.31 1wlo h LEU 114 CO 0.00 0.34 0.57 0.03 -0.13 0.00 0.00 178.44 179.25 1wlo h ARG 115 N -0.47 0.77 -0.96 1.25 3.08 -1.95 0.10 114.38 116.20 1wlo h ARG 115 Ca 0.00 -0.05 0.30 0.00 0.07 0.00 0.00 59.98 60.30 1wlo h ARG 115 Cb 0.21 -0.17 -0.15 0.00 0.08 0.00 0.00 29.97 29.94 1wlo h ARG 115 CO 0.00 0.51 0.44 -0.07 -1.07 0.00 0.00 179.97 179.78 1wlo h LEU 116 N 0.79 0.30 -0.85 3.04 3.38 -1.62 1.13 115.31 121.49 1wlo h LEU 116 Ca 0.53 0.20 0.13 0.00 0.09 0.00 0.00 57.88 58.83 1wlo h LEU 116 Cb 0.72 0.20 -0.09 0.00 0.09 0.00 0.00 40.66 41.58 1wlo h LEU 116 CO -0.35 -0.16 0.46 0.03 0.09 0.00 0.00 178.44 178.51 1wlo h ARG 117 N 0.26 0.66 0.00 1.13 3.08 -0.94 0.28 114.38 118.85 1wlo h ARG 117 Ca 0.68 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.61 1wlo h ARG 117 Cb 1.50 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 31.39 1wlo h ARG 117 CO -0.64 0.43 -0.38 0.78 -1.07 0.00 0.00 179.97 179.09 1wlo h GLY 118 N 0.68 0.00 0.69 0.04 0.00 0.12 -2.76 103.07 101.84 1wlo h GLY 118 Ca 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.77 1wlo h GLY 118 CO -0.33 0.00 -0.11 1.41 0.00 0.00 0.00 176.54 177.51 1wlo h LEU 119 N 0.00 -0.26 -0.59 3.11 3.38 0.34 -3.09 115.31 118.20 1wlo h LEU 119 Ca -0.00 -0.20 0.11 0.00 0.09 0.00 0.00 57.88 57.87 1wlo h LEU 119 Cb 0.75 0.07 -0.09 0.00 0.09 0.00 0.00 40.66 41.48 1wlo h LEU 119 CO 0.05 0.08 0.12 -0.33 0.09 0.00 0.00 178.44 178.45 1wlo h GLU 120 N -0.62 0.24 -1.18 1.13 5.08 -1.13 0.29 114.58 118.39 1wlo h GLU 120 Ca -0.03 -0.01 0.34 0.00 -1.00 0.00 0.00 59.36 58.66 1wlo h GLU 120 Cb 0.45 -0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.54 1wlo h GLU 120 CO 0.05 0.16 0.78 0.00 -1.00 0.00 0.00 179.01 179.00 1wlo h ALA 121 N 1.47 2.57 -0.94 3.43 0.00 -1.42 -0.51 119.26 123.86 1wlo h ALA 121 Ca 0.31 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1wlo h ALA 121 Cb 0.46 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1wlo h ALA 121 CO -0.40 -1.05 0.00 0.00 0.00 0.00 0.00 179.25 177.80 1wlo n ALA 122 N -2.54 -0.29 -0.31 0.00 0.00 0.10 -0.91 120.51 116.56 1wlo n ALA 122 Ca 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.73 1wlo n ALA 122 Cb 1.15 0.07 0.05 0.00 0.00 0.00 0.00 19.45 20.71 1wlo n ALA 122 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1wlo h LEU 123 N 0.00 -1.22 -0.80 0.00 7.12 -1.30 0.47 115.31 119.58 1wlo h LEU 123 Ca 0.00 0.28 0.13 0.00 0.13 0.00 0.00 57.88 58.41 1wlo h LEU 123 Cb 0.00 0.66 -0.14 0.00 -0.53 0.00 0.00 40.66 40.65 1wlo h LEU 123 CO 0.00 -0.29 -0.37 -0.07 -0.13 0.00 0.00 178.44 177.57 1wlo h LEU 124 N -0.05 -1.34 0.00 2.25 3.38 -1.02 0.19 115.31 118.73 1wlo h LEU 124 Ca 0.33 0.27 0.00 0.00 0.09 0.00 0.00 57.88 58.57 1wlo h LEU 124 Cb 0.59 0.68 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1wlo h LEU 124 CO -0.88 -0.30 0.00 0.54 0.09 0.00 0.00 178.44 177.89 1wlo n ARG 125 N -5.45 0.00 -0.23 1.13 1.74 0.16 -1.01 116.66 113.00 1wlo n ARG 125 Ca 0.07 0.67 -0.06 0.00 -0.77 0.00 0.00 57.85 57.76 1wlo n ARG 125 Cb 0.38 -1.44 -0.06 0.00 -1.02 0.00 0.00 32.46 30.32 1wlo n ARG 125 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1wlo n LEU 126 N -2.26 -0.59 -0.33 0.55 7.99 -0.77 0.18 117.00 121.77 1wlo n LEU 126 Ca 0.00 1.34 0.25 0.00 -0.01 0.00 0.00 56.01 57.59 1wlo n LEU 126 Cb 0.00 -0.30 0.47 0.00 -0.11 0.00 0.00 43.42 43.47 1wlo n LEU 126 CO 0.00 -0.98 0.95 0.00 -1.51 0.00 0.00 177.39 175.85 1wlo n GLN 127 N -4.27 -0.07 -0.11 3.23 6.02 0.60 0.23 117.38 123.01 1wlo n GLN 127 Ca 0.01 1.43 -0.12 0.00 -0.01 0.00 0.00 57.00 58.31 1wlo n GLN 127 Cb 0.14 -2.44 -0.03 0.00 1.02 0.00 0.00 30.24 28.94 1wlo n GLN 127 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wlo h ALA 128 N 2.00 0.47 0.41 -1.58 0.00 0.37 -2.33 119.26 118.59 1wlo h ALA 128 Ca 0.75 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 55.31 1wlo h ALA 128 Cb 1.84 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1wlo h ALA 128 CO -0.84 0.37 -0.20 1.96 0.00 0.00 0.00 179.25 180.55 1wlo h GLN 129 N 0.47 -0.53 -0.86 0.00 4.20 0.67 -3.12 115.11 115.94 1wlo h GLN 129 Ca 0.08 0.04 0.19 0.00 0.06 0.00 0.00 58.65 59.02 1wlo h GLN 129 Cb 0.67 0.12 -0.16 0.00 0.30 0.00 0.00 27.48 28.42 1wlo h GLN 129 CO 0.05 -0.22 -0.10 0.28 -0.67 0.00 0.00 178.83 178.17 1wlo h VAL 130 N -0.89 0.17 -0.93 -0.54 2.07 0.19 0.58 116.25 116.90 1wlo h VAL 130 Ca -0.06 -0.01 0.21 0.00 0.82 0.00 0.00 66.70 67.67 1wlo h VAL 130 Cb 0.55 0.14 -0.17 0.00 -1.52 0.00 0.00 31.29 30.29 1wlo h VAL 130 CO 0.09 0.01 -0.12 0.03 0.02 0.00 0.00 177.57 177.60 1wlo h ARG 131 N 0.03 0.02 -0.65 1.57 3.08 -1.35 1.89 114.38 118.97 1wlo h ARG 131 Ca 0.45 -0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.43 1wlo h ARG 131 Cb 0.79 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.81 1wlo h ARG 131 CO -0.83 0.01 0.13 -0.22 -1.07 0.00 0.00 179.97 177.99 1wlo h LYS 132 N 0.02 1.04 -0.03 0.04 3.11 0.10 1.95 116.57 122.80 1wlo h LYS 132 Ca 0.49 -0.25 -0.09 0.00 -2.81 0.00 0.00 60.65 57.99 1wlo h LYS 132 Cb 0.87 -0.13 -0.01 0.00 -1.00 0.00 0.00 32.23 31.95 1wlo h LYS 132 CO -0.91 0.94 -0.40 0.00 -2.81 0.00 0.00 179.45 176.27 1wlo h ALA 133 N 1.15 1.29 0.00 5.00 0.00 0.29 0.68 119.26 127.67 1wlo h ALA 133 Ca 0.20 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1wlo h ALA 133 Cb 0.39 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1wlo h ALA 133 CO 0.01 0.52 -0.41 1.37 0.00 0.00 0.00 179.25 180.74 1wlo h LEU 134 N 0.05 0.00 -1.96 0.00 8.10 0.30 -3.31 115.31 118.50 1wlo h LEU 134 Ca 0.00 -0.80 -0.02 0.00 0.11 0.00 0.00 57.88 57.18 1wlo h LEU 134 Cb 0.73 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.94 1wlo h LEU 134 CO 0.05 1.14 0.02 1.07 -4.11 0.00 0.00 178.44 176.61 1wlo n THR 135 N -4.56 1.03 -0.56 0.15 5.66 0.65 -5.07 114.28 111.58 1wlo n THR 135 Ca -0.17 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.34 1wlo n THR 135 Cb 0.53 -0.46 0.00 0.00 -1.55 0.00 0.00 70.33 68.84 1wlo n THR 135 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82