#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 2.12 -1.53 3.17 0.31 -1.26 -4.80 118.33 116.35 1wlo n VAL 2 Ca 0.00 -0.50 -0.29 0.00 -0.01 0.00 0.00 64.34 63.54 1wlo n VAL 2 Cb 0.00 -1.04 0.17 0.00 -0.91 0.00 0.00 33.84 32.06 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 -1.72 0.48 -0.06 5.55 0.04 -1.26 -4.83 135.00 133.20 1wlo s PRO 3 Ca 0.60 0.04 -0.13 0.00 0.04 0.00 0.00 61.00 61.56 1wlo s PRO 3 Cb -0.64 -1.79 -0.08 0.00 0.04 0.00 0.00 34.50 32.03 1wlo s PRO 3 CO 0.59 -2.59 0.50 -1.00 0.04 0.00 0.00 177.00 174.54 1wlo h PRO 4 N -1.78 -0.28 -1.73 0.56 0.13 -1.92 0.90 132.00 127.88 1wlo h PRO 4 Ca -0.48 0.02 0.52 0.00 -0.87 0.00 0.00 66.00 65.19 1wlo h PRO 4 Cb 1.30 0.06 -0.09 0.00 0.13 0.00 0.00 31.00 32.40 1wlo h PRO 4 CO 0.50 -0.06 1.21 0.87 -0.23 0.00 0.00 178.00 180.30 1wlo h LYS 5 N -1.03 0.01 0.00 0.86 6.56 -1.91 1.82 116.57 122.89 1wlo h LYS 5 Ca -0.03 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.56 1wlo h LYS 5 Cb 0.35 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.00 1wlo h LYS 5 CO 0.05 0.01 -0.06 1.25 -2.06 0.00 0.00 179.45 178.64 1wlo h LEU 6 N 0.01 0.00 -1.74 2.94 7.12 -1.70 -3.20 115.31 118.74 1wlo h LEU 6 Ca 0.88 0.00 0.38 0.00 0.13 0.00 0.00 57.88 59.28 1wlo h LEU 6 Cb 3.34 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 43.41 1wlo h LEU 6 CO -0.14 0.14 1.10 0.50 -0.13 0.00 0.00 178.44 179.91 1wlo h LYS 7 N -0.23 0.00 0.18 1.25 1.63 0.63 0.85 116.57 120.89 1wlo h LYS 7 Ca 0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1wlo h LYS 7 Cb 0.06 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.69 1wlo h LYS 7 CO 0.00 0.00 -0.09 1.96 -3.45 0.00 0.00 179.45 177.87 1wlo h GLN 8 N 0.00 -0.24 0.03 1.90 1.08 0.26 0.41 115.11 118.56 1wlo h GLN 8 Ca 0.63 0.02 0.02 0.00 -1.45 0.00 0.00 58.65 57.86 1wlo h GLN 8 Cb 2.82 0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 30.28 1wlo h GLN 8 CO -0.01 0.08 -0.15 0.00 -0.95 0.00 0.00 178.83 177.81 1wlo h ALA 9 N 0.16 -0.20 0.41 3.87 0.00 0.70 1.51 119.26 125.71 1wlo h ALA 9 Ca -0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1wlo h ALA 9 Cb 0.43 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1wlo h ALA 9 CO 0.04 -0.65 -0.33 -0.07 0.00 0.00 0.00 179.25 178.24 1wlo h LEU 10 N -0.26 -0.87 0.08 0.00 3.38 -1.29 0.46 115.31 116.81 1wlo h LEU 10 Ca 0.04 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.10 1wlo h LEU 10 Cb 0.31 0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 1wlo h LEU 10 CO -0.12 -0.49 -0.26 -0.33 0.09 0.00 0.00 178.44 177.34 1wlo h GLU 11 N -0.74 -0.43 -0.52 1.13 5.08 0.11 -1.12 114.58 118.09 1wlo h GLU 11 Ca -0.04 0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.46 1wlo h GLU 11 Cb 0.64 0.10 -0.09 0.00 0.50 0.00 0.00 28.75 29.90 1wlo h GLU 11 CO -0.02 -0.28 -0.01 1.25 -1.00 0.00 0.00 179.01 178.95 1wlo h LEU 12 N -0.44 -0.25 0.03 1.33 5.85 0.23 0.24 115.31 122.29 1wlo h LEU 12 Ca 0.04 0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.90 1wlo h LEU 12 Cb 0.49 0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.71 1wlo h LEU 12 CO -0.17 -0.09 -0.41 0.15 -0.34 0.00 0.00 178.44 177.58 1wlo h PHE 13 N 0.10 -1.20 -0.19 1.25 3.57 0.67 1.28 116.94 122.42 1wlo h PHE 13 Ca 0.26 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.85 1wlo h PHE 13 Cb 0.40 0.52 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 1wlo h PHE 13 CO -0.33 -0.45 0.22 -0.22 -2.23 0.00 0.00 178.31 175.30 1wlo h LYS 14 N -0.53 0.00 0.06 1.11 3.64 -0.67 0.29 116.57 120.47 1wlo h LYS 14 Ca 0.00 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.14 1wlo h LYS 14 Cb 0.56 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1wlo h LYS 14 CO -0.26 0.00 -1.07 1.03 -2.27 0.00 0.00 179.45 176.88 1wlo h SER 15 N 0.00 0.44 -4.31 4.20 0.87 0.27 -3.46 113.55 111.57 1wlo h SER 15 Ca 0.09 -0.41 -0.51 0.00 -1.23 0.00 0.00 61.79 59.73 1wlo h SER 15 Cb 0.53 -0.14 0.10 0.00 -0.44 0.00 0.00 62.40 62.45 1wlo h SER 15 CO -0.00 1.26 0.36 -0.76 -0.53 0.00 0.00 176.83 177.15 1wlo s LEU 16 N -7.42 3.16 0.20 2.23 1.43 0.41 -5.00 118.68 113.70 1wlo s LEU 16 Ca -0.05 1.70 -0.30 0.00 -1.03 0.00 0.00 54.13 54.46 1wlo s LEU 16 Cb 0.08 -4.51 -0.08 0.00 0.03 0.00 0.00 46.19 41.71 1wlo s LEU 16 CO 0.87 -1.54 1.11 -2.16 0.23 0.00 0.00 176.35 174.86 1wlo s PRO 17 N -4.86 4.59 0.01 1.29 0.04 -1.26 -4.74 135.00 130.07 1wlo s PRO 17 Ca 0.60 1.75 -0.02 0.00 0.04 0.00 0.00 61.00 63.37 1wlo s PRO 17 Cb -0.15 -3.25 -0.00 0.00 0.04 0.00 0.00 34.50 31.13 1wlo s PRO 17 CO 0.53 0.09 0.77 1.17 0.04 0.00 0.00 177.00 179.60 1wlo n LYS 18 N 2.13 -0.03 -0.30 4.56 4.81 -1.26 0.11 118.16 128.19 1wlo n LYS 18 Ca 0.02 0.77 -0.05 0.00 -0.87 0.00 0.00 58.31 58.19 1wlo n LYS 18 Cb 0.46 -1.15 -0.02 0.00 0.02 0.00 0.00 35.03 34.33 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 -2.93 -0.25 0.28 1.64 0.00 -1.26 0.71 120.64 118.83 1wlo n GLU 19 Ca 0.00 1.14 -0.16 0.00 0.00 0.00 0.00 57.16 58.14 1wlo n GLU 19 Cb 0.02 -1.68 -0.08 0.00 0.00 0.00 0.00 31.44 29.70 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 -0.61 -0.88 -1.84 3.38 -0.32 -2.92 115.31 112.12 1wlo h LEU 20 Ca 0.19 0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.30 1wlo h LEU 20 Cb 0.37 0.17 -0.12 0.00 0.09 0.00 0.00 40.66 41.17 1wlo h LEU 20 CO -0.72 -0.42 -0.43 0.54 0.09 0.00 0.00 178.44 177.51 1wlo n ARG 21 N -5.39 -0.29 -0.33 1.13 1.74 0.31 0.20 116.66 114.03 1wlo n ARG 21 Ca -0.12 1.34 0.23 0.00 -0.77 0.00 0.00 57.85 58.54 1wlo n ARG 21 Cb 0.29 -1.98 0.44 0.00 -1.02 0.00 0.00 32.46 30.19 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 -0.05 -0.24 0.55 0.87 -0.67 1.27 113.55 115.28 1wlo h SER 22 Ca 0.23 0.27 -0.08 0.00 -1.23 0.00 0.00 61.79 60.97 1wlo h SER 22 Cb 0.45 0.37 -0.00 0.00 -0.44 0.00 0.00 62.40 62.77 1wlo h SER 22 CO -0.85 -0.39 -0.17 1.56 -0.53 0.00 0.00 176.83 176.45 1wlo h GLN 23 N 0.02 0.54 -0.11 2.24 1.08 0.22 -3.12 115.11 115.98 1wlo h GLN 23 Ca 0.73 -0.26 0.02 0.00 -1.45 0.00 0.00 58.65 57.68 1wlo h GLN 23 Cb 1.74 -0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 29.13 1wlo h GLN 23 CO -0.84 0.83 -0.32 0.28 -0.95 0.00 0.00 178.83 177.84 1wlo h VAL 24 N 0.24 0.00 -1.00 -0.54 2.07 0.28 0.61 116.25 117.92 1wlo h VAL 24 Ca 0.05 0.00 0.37 0.00 0.82 0.00 0.00 66.70 67.93 1wlo h VAL 24 Cb 0.71 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.30 1wlo h VAL 24 CO 0.05 0.00 0.38 -0.07 0.02 0.00 0.00 177.57 177.95 1wlo h LEU 25 N -0.32 0.08 0.40 2.57 3.38 -1.26 0.77 115.31 120.93 1wlo h LEU 25 Ca 0.02 0.26 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 1wlo h LEU 25 Cb 0.38 0.33 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1wlo h LEU 25 CO -0.27 -0.40 -0.19 -0.07 0.09 0.00 0.00 178.44 177.60 1wlo h LEU 26 N 0.02 -0.46 -0.68 1.67 -0.00 -0.59 -3.01 115.31 112.25 1wlo h LEU 26 Ca 0.77 -0.11 0.13 0.00 -0.00 0.00 0.00 57.88 58.67 1wlo h LEU 26 Cb 1.91 0.12 -0.13 0.00 -0.00 0.00 0.00 40.66 42.55 1wlo h LEU 26 CO -0.81 -0.11 -0.21 -0.33 -0.00 0.00 0.00 178.44 176.97 1wlo h GLU 27 N -0.84 -0.04 -0.60 1.13 5.08 0.56 0.16 114.58 120.03 1wlo h GLU 27 Ca -0.06 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.41 1wlo h GLU 27 Cb 0.55 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 29.69 1wlo h GLU 27 CO 0.09 -0.02 -0.38 1.88 -1.00 0.00 0.00 179.01 179.57 1wlo h TYR 28 N -0.04 -1.09 -0.12 4.33 -1.99 -0.60 1.15 116.97 118.62 1wlo h TYR 28 Ca 0.31 0.08 0.03 0.00 2.00 0.00 0.00 58.73 61.16 1wlo h TYR 28 Cb 0.53 0.56 -0.00 0.00 2.00 0.00 0.00 36.73 39.81 1wlo h TYR 28 CO -0.59 -0.40 0.08 0.00 -0.00 0.00 0.00 178.16 177.26 1wlo h ALA 29 N 0.84 2.09 0.00 3.88 0.00 -0.89 0.32 119.26 125.50 1wlo h ALA 29 Ca 0.21 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 1wlo h ALA 29 Cb 0.56 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1wlo h ALA 29 CO -0.69 -0.14 -0.43 0.00 0.00 0.00 0.00 179.25 177.98 1wlo h ALA 30 N 1.94 1.03 -0.78 0.00 0.00 0.25 -2.56 119.26 119.14 1wlo h ALA 30 Ca 0.06 -0.39 -0.43 0.00 0.00 0.00 0.00 54.91 54.15 1wlo h ALA 30 Cb 0.22 -0.07 -0.24 0.00 0.00 0.00 0.00 17.79 17.71 1wlo h ALA 30 CO -0.00 0.54 0.54 1.63 0.00 0.00 0.00 179.25 181.96 1wlo n LYS 31 N -3.65 2.03 -4.00 0.00 4.01 0.11 -4.77 118.16 111.90 1wlo n LYS 31 Ca -0.01 -2.39 -0.31 0.00 -0.51 0.00 0.00 58.31 55.10 1wlo n LYS 31 Cb 0.52 -1.94 -0.15 0.00 -0.51 0.00 0.00 35.03 32.95 1wlo n LYS 31 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1wlo s VAL 32 N -2.78 2.09 0.73 -0.18 1.01 -0.97 -4.98 120.40 115.32 1wlo s VAL 32 Ca 0.46 -2.09 -0.11 0.00 0.00 0.00 0.00 61.98 60.23 1wlo s VAL 32 Cb 0.38 -2.49 0.03 0.00 0.00 0.00 0.00 36.38 34.30 1wlo s VAL 32 CO 0.07 -0.49 1.07 -2.16 0.00 0.00 0.00 175.10 173.59 1wlo s PRO 33 N 1.02 2.69 0.61 2.72 0.04 -1.26 -5.03 135.00 135.79 1wlo s PRO 33 Ca 0.07 0.86 -0.15 0.00 0.04 0.00 0.00 61.00 61.82 1wlo s PRO 33 Cb -0.19 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 1wlo s PRO 33 CO -0.09 -1.25 1.05 -1.25 0.04 0.00 0.00 177.00 175.50 1wlo s PRO 34 N -5.08 3.30 0.59 0.56 0.04 -1.26 -4.70 135.00 128.45 1wlo s PRO 34 Ca 0.59 1.12 -0.15 0.00 0.04 0.00 0.00 61.00 62.60 1wlo s PRO 34 Cb -0.14 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 1wlo s PRO 34 CO 0.55 -0.82 1.05 -1.25 0.04 0.00 0.00 177.00 176.57 1wlo s PRO 35 N -4.29 3.37 0.61 0.56 0.04 -1.26 -5.00 135.00 129.02 1wlo s PRO 35 Ca 0.62 1.16 -0.14 0.00 0.04 0.00 0.00 61.00 62.67 1wlo s PRO 35 Cb -0.15 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 1wlo s PRO 35 CO 0.40 -0.77 1.05 -1.25 0.04 0.00 0.00 177.00 176.48 1wlo s PRO 36 N -4.15 3.28 -0.14 0.56 0.04 -1.26 -4.99 135.00 128.34 1wlo s PRO 36 Ca 0.63 1.11 -0.29 0.00 0.04 0.00 0.00 61.00 62.49 1wlo s PRO 36 Cb -0.15 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 1wlo s PRO 36 CO 0.38 -0.84 1.26 -1.25 0.04 0.00 0.00 177.00 176.59 1wlo s PRO 37 N -4.34 4.25 0.00 0.56 0.04 -1.26 -3.06 135.00 131.20 1wlo s PRO 37 Ca 0.62 1.68 0.00 0.00 0.04 0.00 0.00 61.00 63.34 1wlo s PRO 37 Cb -0.15 -3.73 0.00 0.00 0.04 0.00 0.00 34.50 30.66 1wlo s PRO 37 CO 0.41 -0.66 0.00 0.41 0.04 0.00 0.00 177.00 177.20 1wlo n GLY 38 N 3.58 1.07 3.70 0.56 0.00 -1.26 -5.08 105.19 107.76 1wlo n GLY 38 Ca 0.13 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.70 3.21 -0.29 1.61 1.01 -1.17 -4.97 120.40 119.10 1wlo s VAL 39 Ca 0.00 0.74 -0.16 0.00 0.00 0.00 0.00 61.98 62.56 1wlo s VAL 39 Cb 0.00 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.88 1wlo s VAL 39 CO 0.00 0.02 0.41 -0.70 0.00 0.00 0.00 175.10 174.83 1wlo s GLU 40 N 2.01 3.91 0.10 2.72 2.12 -1.26 -4.96 118.70 123.33 1wlo s GLU 40 Ca 0.69 -0.01 0.03 0.00 0.36 0.00 0.00 54.97 56.04 1wlo s GLU 40 Cb -0.37 -3.70 -0.04 0.00 0.26 0.00 0.00 34.13 30.28 1wlo s GLU 40 CO 0.30 -0.37 0.12 -0.51 -0.54 0.00 0.00 175.26 174.26 1wlo s LEU 41 N 2.15 3.93 -0.21 2.70 1.02 -1.26 -4.77 118.68 122.22 1wlo s LEU 41 Ca 0.16 0.03 -0.08 0.00 0.02 0.00 0.00 54.13 54.25 1wlo s LEU 41 Cb -0.16 -2.57 -0.04 0.00 0.02 0.00 0.00 46.19 43.44 1wlo s LEU 41 CO 0.11 0.15 0.09 -0.70 0.02 0.00 0.00 176.35 176.01 1wlo s GLU 42 N -2.59 3.92 0.48 1.70 2.12 0.59 -4.74 118.70 120.18 1wlo s GLU 42 Ca 0.31 -0.36 -0.24 0.00 0.36 0.00 0.00 54.97 55.04 1wlo s GLU 42 Cb -0.12 -3.32 -0.07 0.00 0.26 0.00 0.00 34.13 30.89 1wlo s GLU 42 CO 0.24 0.11 1.33 0.50 -0.54 0.00 0.00 175.26 176.90 1wlo s ARG 43 N 0.83 3.52 -0.82 4.30 3.52 -1.26 -2.03 118.95 127.02 1wlo s ARG 43 Ca 0.05 2.18 -0.16 0.00 -0.13 0.00 0.00 55.73 57.67 1wlo s ARG 43 Cb -0.13 -2.47 0.18 0.00 -1.56 0.00 0.00 34.95 30.97 1wlo s ARG 43 CO 0.02 -0.87 0.83 0.08 -0.81 0.00 0.00 175.30 174.55 1wlo s VAL 44 N -1.31 5.33 0.24 7.11 1.01 0.31 -4.88 120.40 128.20 1wlo s VAL 44 Ca 0.65 -2.10 -0.05 0.00 0.00 0.00 0.00 61.98 60.48 1wlo s VAL 44 Cb -0.39 -4.53 0.20 0.00 0.00 0.00 0.00 36.38 31.66 1wlo s VAL 44 CO 0.48 -1.14 1.80 0.45 0.00 0.00 0.00 175.10 176.70 1wlo h HIS 45 N 8.20 0.80 -0.46 5.22 -0.00 -1.88 0.23 115.15 127.24 1wlo h HIS 45 Ca 0.06 0.03 0.13 0.00 -0.00 0.00 0.00 60.37 60.60 1wlo h HIS 45 Cb 1.04 -0.24 -0.02 0.00 -0.00 0.00 0.00 27.41 28.20 1wlo h HIS 45 CO 1.03 0.32 0.62 0.93 -0.00 0.00 0.00 177.93 180.83 1wlo h GLU 46 N 0.75 0.00 -5.27 2.45 4.39 -1.89 -3.36 114.58 111.64 1wlo h GLU 46 Ca 0.38 0.00 -0.61 0.00 0.34 0.00 0.00 59.36 59.47 1wlo h GLU 46 Cb 0.34 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 28.85 1wlo h GLU 46 CO -0.24 0.00 -0.53 0.00 -1.16 0.00 0.00 179.01 177.07 1wlo h GLN 48 N 6.72 0.88 -7.07 0.00 1.08 -1.79 -3.42 115.11 111.52 1wlo h GLN 48 Ca -0.38 -0.05 -0.48 0.00 -1.45 0.00 0.00 58.65 56.29 1wlo h GLN 48 Cb 1.16 -0.20 0.01 0.00 -0.05 0.00 0.00 27.48 28.40 1wlo h GLN 48 CO 0.72 0.58 0.29 0.95 -0.95 0.00 0.00 178.83 180.43 1wlo s THR 49 N -5.94 4.59 -1.19 -0.54 -4.23 -1.26 -4.94 115.64 102.13 1wlo s THR 49 Ca -0.12 1.07 -0.19 0.00 -1.18 0.00 0.00 61.69 61.27 1wlo s THR 49 Cb 0.23 -3.71 -0.03 0.00 1.34 0.00 0.00 72.50 70.33 1wlo s THR 49 CO 0.80 -0.59 1.93 -0.81 -0.54 0.00 0.00 174.62 175.41 1wlo n PRO 50 N -1.36 2.31 -3.04 3.99 -0.04 -1.26 -4.68 135.00 130.92 1wlo n PRO 50 Ca 0.05 -2.62 -0.44 0.00 -0.04 0.00 0.00 63.50 60.46 1wlo n PRO 50 Cb 0.54 -3.41 -0.05 0.00 -0.04 0.00 0.00 33.50 30.54 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 6.24 2.91 0.03 0.54 5.36 -1.26 -4.62 117.98 127.19 1wlo s PHE 51 Ca 0.58 -0.77 -0.18 0.00 -0.96 0.00 0.00 56.93 55.59 1wlo s PHE 51 Cb 0.07 -4.03 -0.06 0.00 -0.34 0.00 0.00 43.02 38.66 1wlo s PHE 51 CO 0.07 -1.36 0.52 -0.06 -1.46 0.00 0.00 175.22 172.94 1wlo s PHE 52 N 3.08 3.75 0.07 10.12 0.08 -1.17 -0.53 117.98 133.38 1wlo s PHE 52 Ca 0.15 1.17 -0.02 0.00 0.12 0.00 0.00 56.93 58.35 1wlo s PHE 52 Cb -0.21 -2.46 -0.04 0.00 -0.57 0.00 0.00 43.02 39.74 1wlo s PHE 52 CO 0.08 0.55 0.01 0.14 -0.10 0.00 0.00 175.22 175.90 1wlo s VAL 53 N -0.88 0.19 -0.19 -0.44 -7.23 -0.86 -1.67 120.40 109.32 1wlo s VAL 53 Ca 0.28 -1.77 -0.07 0.00 -1.81 0.00 0.00 61.98 58.60 1wlo s VAL 53 Cb -0.18 -1.60 0.08 0.00 0.56 0.00 0.00 36.38 35.24 1wlo s VAL 53 CO 0.17 -0.87 0.40 -2.28 -0.31 0.00 0.00 175.10 172.21 1wlo s HIS 54 N -3.94 -0.73 -0.08 2.82 2.46 -0.86 -0.30 115.29 114.65 1wlo s HIS 54 Ca 0.10 1.44 0.01 0.00 0.47 0.00 0.00 55.06 57.08 1wlo s HIS 54 Cb 0.08 0.27 -0.02 0.00 -0.13 0.00 0.00 32.58 32.77 1wlo s HIS 54 CO -0.08 -0.45 -0.11 0.00 -2.47 0.00 0.00 174.74 171.63 1wlo s ALA 55 N 2.41 2.76 0.17 1.58 0.00 -1.26 -2.45 121.76 124.97 1wlo s ALA 55 Ca -0.03 -0.92 -0.24 0.00 0.00 0.00 0.00 51.96 50.77 1wlo s ALA 55 Cb -0.11 -1.14 0.06 0.00 0.00 0.00 0.00 23.12 21.92 1wlo s ALA 55 CO -0.12 0.45 0.90 -0.51 0.00 0.00 0.00 175.76 176.47 1wlo s ASP 56 N -0.38 -0.22 -0.04 0.00 1.01 -1.00 -4.36 116.67 111.68 1wlo s ASP 56 Ca 0.05 -0.41 -0.00 0.00 0.71 0.00 0.00 52.55 52.90 1wlo s ASP 56 Cb -0.12 0.53 0.03 0.00 1.01 0.00 0.00 42.92 44.37 1wlo s ASP 56 CO 0.02 -0.98 -0.01 0.54 0.21 0.00 0.00 175.17 174.96 1wlo s VAL 57 N -3.42 0.31 -0.32 -1.27 0.11 -1.26 0.26 120.40 114.81 1wlo s VAL 57 Ca 0.11 0.06 0.03 0.00 -2.93 0.00 0.00 61.98 59.26 1wlo s VAL 57 Cb -0.02 -0.41 0.09 0.00 -1.53 0.00 0.00 36.38 34.51 1wlo s VAL 57 CO 0.02 0.20 0.03 -1.61 -3.33 0.00 0.00 175.10 170.40 1wlo s GLU 58 N 1.30 1.54 0.06 1.54 0.41 -0.02 -4.90 118.70 118.63 1wlo s GLU 58 Ca -0.06 -1.70 0.00 0.00 -0.41 0.00 0.00 54.97 52.80 1wlo s GLU 58 Cb -0.13 -3.04 0.00 0.00 -1.78 0.00 0.00 34.13 29.17 1wlo s GLU 58 CO -0.02 -0.88 0.00 0.41 -0.49 0.00 0.00 175.26 174.28 1wlo n GLY 59 N 4.34 1.76 0.49 -1.39 0.00 -1.26 -3.90 105.19 105.24 1wlo n GLY 59 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 0.84 3.04 -0.02 0.00 -1.26 -5.11 105.19 102.67 1wlo n GLY 60 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.47 -0.16 1.61 1.02 -1.25 -4.56 119.74 116.88 1wlo s LYS 61 Ca 0.00 -0.71 -0.14 0.00 0.02 0.00 0.00 55.97 55.14 1wlo s LYS 61 Cb 0.00 -0.20 -0.05 0.00 -0.52 0.00 0.00 37.83 37.07 1wlo s LYS 61 CO 0.00 0.03 0.32 0.14 -0.92 0.00 0.00 175.35 174.92 1wlo s VAL 62 N -1.37 5.29 -0.21 3.17 -7.23 0.24 -0.84 120.40 119.45 1wlo s VAL 62 Ca -0.11 0.60 -0.14 0.00 -1.81 0.00 0.00 61.98 60.52 1wlo s VAL 62 Cb -0.10 -3.66 -0.04 0.00 0.56 0.00 0.00 36.38 33.14 1wlo s VAL 62 CO 0.00 0.37 0.31 -0.13 -0.31 0.00 0.00 175.10 175.34 1wlo s ARG 63 N 0.53 4.14 -0.06 4.82 1.81 0.74 -2.19 118.95 128.75 1wlo s ARG 63 Ca 0.18 0.03 0.00 0.00 -1.72 0.00 0.00 55.73 54.21 1wlo s ARG 63 Cb -0.13 -3.53 -0.03 0.00 -0.45 0.00 0.00 34.95 30.80 1wlo s ARG 63 CO 0.05 0.01 -0.03 -0.51 -0.68 0.00 0.00 175.30 174.14 1wlo s LEU 64 N 1.19 3.40 -0.07 2.53 1.02 -1.26 -2.39 118.68 123.11 1wlo s LEU 64 Ca 0.15 0.04 -0.03 0.00 0.02 0.00 0.00 54.13 54.31 1wlo s LEU 64 Cb -0.14 -1.81 0.04 0.00 0.02 0.00 0.00 46.19 44.29 1wlo s LEU 64 CO 0.06 0.35 0.11 -0.31 0.02 0.00 0.00 176.35 176.58 1wlo s TYR 65 N -0.91 -0.05 -0.05 0.29 2.02 -1.02 -5.00 117.35 112.62 1wlo s TYR 65 Ca 0.14 0.41 0.06 0.00 -0.37 0.00 0.00 57.07 57.31 1wlo s TYR 65 Cb -0.11 -0.38 -0.02 0.00 -0.40 0.00 0.00 41.96 41.05 1wlo s TYR 65 CO 0.04 -0.24 -0.22 -0.06 -1.57 0.00 0.00 175.55 173.50 1wlo s PHE 66 N 2.23 2.49 -0.16 2.71 0.08 -1.26 -2.03 117.98 122.04 1wlo s PHE 66 Ca 0.04 -0.56 -0.00 0.00 0.12 0.00 0.00 56.93 56.53 1wlo s PHE 66 Cb -0.12 -1.61 0.04 0.00 -0.57 0.00 0.00 43.02 40.76 1wlo s PHE 66 CO -0.05 -0.11 -0.07 -1.58 -0.10 0.00 0.00 175.22 173.31 1wlo s HIS 67 N -0.31 1.81 -0.21 0.36 2.46 -0.67 -4.23 115.29 114.51 1wlo s HIS 67 Ca 0.01 -1.10 0.01 0.00 0.47 0.00 0.00 55.06 54.45 1wlo s HIS 67 Cb -0.13 -1.38 0.05 0.00 -0.13 0.00 0.00 32.58 31.00 1wlo s HIS 67 CO 0.02 -0.62 -0.08 0.08 -2.47 0.00 0.00 174.74 171.68 1wlo s VAL 68 N 1.60 1.54 -0.05 0.89 1.01 -1.26 -3.02 120.40 121.11 1wlo s VAL 68 Ca 0.02 -1.04 -0.08 0.00 0.00 0.00 0.00 61.98 60.88 1wlo s VAL 68 Cb -0.15 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 1wlo s VAL 68 CO -0.08 0.07 0.37 1.55 0.00 0.00 0.00 175.10 177.01 1wlo h PRO 69 N 7.98 -0.27 -0.08 2.72 0.13 -2.00 -3.22 132.00 137.27 1wlo h PRO 69 Ca -0.24 0.02 0.02 0.00 -0.87 0.00 0.00 66.00 64.93 1wlo h PRO 69 Cb 1.09 0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 1wlo h PRO 69 CO 0.44 -0.18 0.29 -0.44 -0.23 0.00 0.00 178.00 177.88 1wlo h ASP 70 N -0.87 0.00 -4.29 1.44 3.32 -1.95 -3.44 116.42 110.63 1wlo h ASP 70 Ca -0.03 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.75 1wlo h ASP 70 Cb 0.21 0.00 0.09 0.00 0.22 0.00 0.00 39.33 39.86 1wlo h ASP 70 CO 0.05 0.00 -0.47 -0.62 -1.72 0.00 0.00 179.24 176.48 1wlo n GLU 71 N -3.15 -5.42 -1.91 3.56 1.02 -1.22 -4.94 120.64 108.58 1wlo n GLU 71 Ca -0.00 0.57 -0.42 0.00 -0.02 0.00 0.00 57.16 57.29 1wlo n GLU 71 Cb 0.36 -4.83 -0.02 0.00 -0.02 0.00 0.00 31.44 26.93 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 3.73 -1.05 0.62 0.00 -1.26 -4.87 121.76 115.71 1wlo s ALA 72 Ca 0.40 1.42 0.22 0.00 0.00 0.00 0.00 51.96 53.99 1wlo s ALA 72 Cb -0.18 -3.61 0.96 0.00 0.00 0.00 0.00 23.12 20.29 1wlo s ALA 72 CO 0.49 -0.82 1.70 -0.35 0.00 0.00 0.00 175.76 176.78 1wlo n PRO 73 N 2.98 0.04 -0.08 0.00 -0.04 -1.26 -1.19 135.00 135.45 1wlo n PRO 73 Ca 0.10 0.12 -0.20 0.00 -0.04 0.00 0.00 63.50 63.48 1wlo n PRO 73 Cb 0.39 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.22 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 -1.47 1.60 0.02 0.52 -2.24 -1.26 -2.42 114.28 109.03 1wlo n THR 74 Ca 0.06 -0.59 -0.12 0.00 -2.27 0.00 0.00 64.05 61.12 1wlo n THR 74 Cb 0.25 -1.55 -0.00 0.00 -2.10 0.00 0.00 70.33 66.92 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 -0.00 1.34 0.06 2.28 2.07 -1.93 -3.08 116.25 116.98 1wlo h VAL 75 Ca -0.52 -2.06 -0.12 0.00 0.82 0.00 0.00 66.70 64.81 1wlo h VAL 75 Cb 1.94 2.05 0.01 0.00 -1.52 0.00 0.00 31.29 33.77 1wlo h VAL 75 CO -0.03 0.63 -0.51 0.50 0.02 0.00 0.00 177.57 178.18 1wlo h LYS 76 N 0.38 0.24 -0.51 1.57 3.64 -1.35 -3.22 116.57 117.33 1wlo h LYS 76 Ca -0.04 -0.34 0.05 0.00 -1.27 0.00 0.00 60.65 59.05 1wlo h LYS 76 Cb 1.33 0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 33.20 1wlo h LYS 76 CO 0.14 1.11 -0.30 0.00 -2.27 0.00 0.00 179.45 178.12 1wlo h ALA 77 N 0.15 -0.29 -0.45 5.00 0.00 -1.52 0.49 119.26 122.65 1wlo h ALA 77 Ca -0.08 0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.96 1wlo h ALA 77 Cb 1.33 1.19 -0.09 0.00 0.00 0.00 0.00 17.79 20.22 1wlo h ALA 77 CO 0.10 -0.50 -0.46 0.35 0.00 0.00 0.00 179.25 178.74 1wlo h PHE 78 N -0.00 -1.35 -0.97 0.00 3.57 -1.67 -0.76 116.94 115.75 1wlo h PHE 78 Ca 0.08 0.08 0.11 0.00 3.53 0.00 0.00 57.97 61.77 1wlo h PHE 78 Cb 0.21 0.65 -0.13 0.00 2.79 0.00 0.00 35.95 39.47 1wlo h PHE 78 CO -0.98 -0.45 -0.50 0.00 -2.23 0.00 0.00 178.31 174.15 1wlo n ALA 79 N -3.09 -0.43 -0.23 2.41 0.00 -0.00 0.24 120.51 119.41 1wlo n ALA 79 Ca -0.01 0.88 0.18 0.00 0.00 0.00 0.00 53.44 54.49 1wlo n ALA 79 Cb 0.35 -0.25 0.50 0.00 0.00 0.00 0.00 19.45 20.05 1wlo n ALA 79 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1wlo h GLY 80 N 0.00 0.88 1.02 0.00 0.00 0.32 0.26 103.07 105.55 1wlo h GLY 80 Ca 0.23 -0.20 -0.05 0.00 0.00 0.00 0.00 47.33 47.31 1wlo h GLY 80 CO -0.93 0.01 0.24 -2.00 0.00 0.00 0.00 176.54 173.85 1wlo h LEU 81 N 0.43 0.95 0.65 3.11 6.46 0.41 0.59 115.31 127.91 1wlo h LEU 81 Ca 0.45 -0.19 -0.03 0.00 -0.12 0.00 0.00 57.88 57.99 1wlo h LEU 81 Cb 1.08 -0.25 0.01 0.00 -0.73 0.00 0.00 40.66 40.77 1wlo h LEU 81 CO -0.17 0.89 -0.31 -0.07 -0.62 0.00 0.00 178.44 178.15 1wlo h LEU 82 N 0.96 -0.74 -1.16 2.25 -0.00 0.13 -2.96 115.31 113.80 1wlo h LEU 82 Ca 0.22 0.03 0.12 0.00 -0.00 0.00 0.00 57.88 58.25 1wlo h LEU 82 Cb 0.25 0.19 -0.08 0.00 -0.00 0.00 0.00 40.66 41.03 1wlo h LEU 82 CO -0.01 -0.49 0.60 0.08 -0.00 0.00 0.00 178.44 178.61 1wlo h ARG 83 N -0.93 0.83 -0.86 1.13 0.11 -1.27 -0.77 114.38 112.62 1wlo h ARG 83 Ca -0.09 -0.05 0.12 0.00 0.10 0.00 0.00 59.98 60.06 1wlo h ARG 83 Cb 0.67 -0.19 -0.13 0.00 1.11 0.00 0.00 29.97 31.43 1wlo h ARG 83 CO 0.15 0.55 -0.38 0.39 0.10 0.00 0.00 179.97 180.77 1wlo n GLU 84 N -4.58 -0.25 -2.45 0.08 -0.58 0.20 -0.18 120.64 112.89 1wlo n GLU 84 Ca 0.18 1.32 -0.21 0.00 -0.42 0.00 0.00 57.16 58.02 1wlo n GLU 84 Cb 0.39 -1.95 0.01 0.00 -0.57 0.00 0.00 31.44 29.32 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 -1.36 4.95 0.43 0.62 0.00 -0.87 -4.65 105.19 104.31 1wlo n GLY 85 Ca 0.07 -2.35 0.00 0.00 0.00 0.00 0.00 46.02 43.73 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 -0.45 0.00 -4.61 0.99 4.77 -0.35 -4.10 117.00 113.25 1wlo n LEU 86 Ca 0.32 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.87 1wlo n LEU 86 Cb 0.76 0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.91 1wlo n LEU 86 CO 0.31 -0.11 1.72 -0.70 -1.33 0.00 0.00 177.39 177.29 1wlo s GLU 87 N -1.21 3.39 0.00 3.23 -6.30 0.75 -0.18 118.70 118.38 1wlo s GLU 87 Ca 0.00 2.01 0.00 0.00 -2.50 0.00 0.00 54.97 54.48 1wlo s GLU 87 Cb 0.00 -4.28 0.00 0.00 0.00 0.00 0.00 34.13 29.85 1wlo s GLU 87 CO 0.00 -1.81 0.00 0.41 0.02 0.00 0.00 175.26 173.88 1wlo n GLY 88 N 5.41 0.35 0.00 -1.50 0.00 -0.93 -4.91 105.19 103.61 1wlo n GLY 88 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1wlo n GLY 88 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1wlo n GLU 89 N -2.00 -0.13 -2.88 1.61 0.28 0.75 -4.46 120.64 113.80 1wlo n GLU 89 Ca 0.00 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.77 1wlo n GLU 89 Cb 0.00 0.00 0.02 0.00 1.43 0.00 0.00 31.44 32.89 1wlo n GLU 89 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1wlo s SER 90 N -1.31 5.77 0.07 -1.84 1.04 -1.26 -0.59 113.70 115.57 1wlo s SER 90 Ca 0.00 0.33 0.23 0.00 0.48 0.00 0.00 55.95 56.98 1wlo s SER 90 Cb 0.00 -1.52 0.92 0.00 0.10 0.00 0.00 66.02 65.53 1wlo s SER 90 CO 0.00 -0.77 1.71 -0.81 0.98 0.00 0.00 173.24 174.35 1wlo n PRO 91 N -2.16 0.07 -0.10 4.02 -0.04 -1.26 -2.52 135.00 133.00 1wlo n PRO 91 Ca 0.02 0.18 -0.17 0.00 -0.04 0.00 0.00 63.50 63.49 1wlo n PRO 91 Cb 0.58 -1.60 -0.07 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.72 0.54 0.10 0.54 -0.58 -1.26 -3.59 120.64 114.67 1wlo n GLU 92 Ca 0.05 0.39 0.20 0.00 -0.42 0.00 0.00 57.16 57.37 1wlo n GLU 92 Cb 0.28 -1.58 0.75 0.00 -0.57 0.00 0.00 31.44 30.32 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 -0.88 2.10 0.25 0.62 0.00 -1.92 0.33 119.26 119.77 1wlo h ALA 93 Ca -0.29 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1wlo h ALA 93 Cb 1.14 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1wlo h ALA 93 CO -0.17 -0.61 -0.12 0.28 0.00 0.00 0.00 179.25 178.63 1wlo h VAL 94 N 0.00 0.52 -0.54 0.00 2.07 -1.66 -3.19 116.25 113.44 1wlo h VAL 94 Ca 0.18 -0.91 0.07 0.00 0.82 0.00 0.00 66.70 66.86 1wlo h VAL 94 Cb 1.00 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 1wlo h VAL 94 CO -0.00 0.13 0.36 -0.07 0.02 0.00 0.00 177.57 178.01 1wlo h LEU 95 N -0.96 0.41 -1.06 2.57 -0.00 -1.17 0.31 115.31 115.41 1wlo h LEU 95 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 1wlo h LEU 95 Cb 0.48 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.05 1wlo h LEU 95 CO 0.06 0.27 0.05 -0.62 -0.00 0.00 0.00 178.44 178.19 1wlo n GLU 96 N -4.47 0.10 -2.78 1.13 -0.58 1.00 -4.42 120.64 110.62 1wlo n GLU 96 Ca 0.08 0.59 -0.43 0.00 -0.42 0.00 0.00 57.16 56.98 1wlo n GLU 96 Cb 0.27 -1.89 -0.03 0.00 -0.57 0.00 0.00 31.44 29.21 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 4.63 1.00 2.62 1.01 0.11 -4.06 120.40 122.32 1wlo s VAL 97 Ca -0.02 1.47 -0.15 0.00 0.00 0.00 0.00 61.98 63.28 1wlo s VAL 97 Cb 0.05 -4.30 0.19 0.00 0.00 0.00 0.00 36.38 32.32 1wlo s VAL 97 CO 0.15 -0.39 1.18 -2.16 0.00 0.00 0.00 175.10 173.88 1wlo s PRO 98 N 3.35 0.38 0.43 2.72 0.04 -1.26 -4.96 135.00 135.70 1wlo s PRO 98 Ca 0.39 -0.00 0.24 0.00 0.04 0.00 0.00 61.00 61.67 1wlo s PRO 98 Cb -0.13 -1.78 0.69 0.00 0.04 0.00 0.00 34.50 33.33 1wlo s PRO 98 CO 0.14 -2.66 1.73 -1.00 0.04 0.00 0.00 177.00 175.26 1wlo h PRO 99 N -1.82 0.00 -0.71 0.56 0.13 -1.96 -3.11 132.00 125.08 1wlo h PRO 99 Ca -0.47 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.18 1wlo h PRO 99 Cb 1.29 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.14 1wlo h PRO 99 CO 0.48 0.18 -0.03 0.41 -0.23 0.00 0.00 178.00 178.81 1wlo n GLY 100 N 0.57 5.70 0.00 1.56 0.00 -1.26 -4.64 105.19 107.13 1wlo n GLY 100 Ca 0.02 -2.04 0.08 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.92 0.00 0.36 1.61 -1.74 -1.18 -1.83 117.46 113.76 1wlo n PHE 101 Ca 0.47 0.00 0.11 0.00 -0.56 0.00 0.00 57.45 57.47 1wlo n PHE 101 Cb 0.94 -0.38 -0.13 0.00 1.52 0.00 0.00 39.48 41.43 1wlo n PHE 101 CO 0.00 0.00 0.00 2.48 -0.56 0.00 0.00 176.76 178.68 1wlo n TYR 102 N -1.38 0.04 -1.57 2.97 0.18 -1.26 -4.98 117.16 111.16 1wlo n TYR 102 Ca 0.06 0.01 -0.38 0.00 1.88 0.00 0.00 57.90 59.48 1wlo n TYR 102 Cb 0.16 -0.34 0.05 0.00 -0.38 0.00 0.00 39.34 38.82 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 -2.00 0.76 -3.05 -3.48 1.74 -0.76 -3.83 116.66 106.04 1wlo n ARG 103 Ca -0.01 0.30 -0.08 0.00 -0.77 0.00 0.00 57.85 57.29 1wlo n ARG 103 Cb 0.48 -2.03 0.01 0.00 -1.02 0.00 0.00 32.46 29.90 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 1.44 -1.18 0.49 -0.13 0.00 -1.26 -4.89 105.19 99.65 1wlo n GLY 104 Ca 0.13 0.87 0.00 0.00 0.00 0.00 0.00 46.02 47.03 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 -1.08 -0.61 0.00 1.61 4.01 -1.25 -5.02 117.16 114.81 1wlo n TYR 105 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 1wlo n TYR 105 Cb 0.51 0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.66 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 -1.08 2.29 0.22 2.72 0.00 -1.26 -4.24 105.19 103.84 1wlo n GLY 106 Ca 0.00 -0.25 0.14 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 -0.85 0.99 4.07 -1.96 0.33 115.31 117.88 1wlo h LEU 107 Ca 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.92 1wlo h LEU 107 Cb 0.00 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.70 1wlo h LEU 107 CO 0.00 0.00 0.34 -0.08 -1.08 0.00 0.00 178.44 177.62 1wlo h GLU 108 N 0.00 1.18 0.02 1.13 4.81 -1.90 -2.31 114.58 117.51 1wlo h GLU 108 Ca 0.00 -0.20 -0.36 0.00 -0.13 0.00 0.00 59.36 58.68 1wlo h GLU 108 Cb 0.10 -0.20 -0.05 0.00 0.63 0.00 0.00 28.75 29.24 1wlo h GLU 108 CO 0.00 0.94 -1.99 0.39 -0.73 0.00 0.00 179.01 177.61 1wlo n GLU 109 N -4.29 0.62 -0.28 1.92 1.02 -0.07 -3.52 120.64 116.05 1wlo n GLU 109 Ca 0.07 0.35 -0.09 0.00 -0.02 0.00 0.00 57.16 57.48 1wlo n GLU 109 Cb 0.17 -1.62 -0.05 0.00 -0.02 0.00 0.00 31.44 29.92 1wlo n GLU 109 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1wlo h PHE 110 N -0.65 -1.46 -0.27 -0.32 3.04 -1.14 1.07 116.94 117.20 1wlo h PHE 110 Ca -0.51 0.10 0.00 0.00 3.98 0.00 0.00 57.97 61.54 1wlo h PHE 110 Cb 1.63 0.74 0.00 0.00 2.56 0.00 0.00 35.95 40.88 1wlo h PHE 110 CO 0.02 -0.42 0.00 1.19 -2.02 0.00 0.00 178.31 177.09 1wlo n PHE 111 N -5.37 0.63 -1.18 0.41 3.72 -0.87 -5.03 117.46 109.76 1wlo n PHE 111 Ca 0.02 -0.25 0.13 0.00 -0.05 0.00 0.00 57.45 57.31 1wlo n PHE 111 Cb 0.33 -0.13 -0.05 0.00 -0.94 0.00 0.00 39.48 38.69 1wlo n PHE 111 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1wlo n THR 112 N 0.32 -0.11 0.04 4.37 -2.24 0.37 -2.26 114.28 114.77 1wlo n THR 112 Ca 0.11 0.40 -0.15 0.00 -2.27 0.00 0.00 64.05 62.14 1wlo n THR 112 Cb 0.44 -0.75 -0.05 0.00 -2.10 0.00 0.00 70.33 67.88 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 -1.30 0.53 0.01 -0.78 0.13 -1.83 -2.80 132.00 125.96 1wlo h PRO 113 Ca -0.08 -0.52 -0.00 0.00 -0.87 0.00 0.00 66.00 64.54 1wlo h PRO 113 Cb 1.23 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.49 1wlo h PRO 113 CO 0.04 1.15 -0.00 -0.07 -0.23 0.00 0.00 178.00 178.88 1wlo h LEU 114 N 0.33 -0.01 -0.95 1.56 -0.00 -1.93 -3.17 115.31 111.15 1wlo h LEU 114 Ca -0.07 0.00 0.31 0.00 -0.00 0.00 0.00 57.88 58.11 1wlo h LEU 114 Cb 1.51 0.00 -0.18 0.00 -0.00 0.00 0.00 40.66 42.00 1wlo h LEU 114 CO 0.16 -0.00 0.19 0.54 -0.00 0.00 0.00 178.44 179.33 1wlo n ARG 115 N -2.03 -0.07 -0.26 1.13 1.74 -1.23 0.57 116.66 116.50 1wlo n ARG 115 Ca -0.00 1.39 -0.10 0.00 -0.77 0.00 0.00 57.85 58.37 1wlo n ARG 115 Cb 0.00 -2.30 -0.06 0.00 -1.02 0.00 0.00 32.46 29.08 1wlo n ARG 115 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1wlo h LEU 116 N 0.00 -1.75 -0.94 0.55 3.38 -1.17 0.96 115.31 116.35 1wlo h LEU 116 Ca 0.66 0.27 0.11 0.00 0.09 0.00 0.00 57.88 59.01 1wlo h LEU 116 Cb 1.51 0.78 -0.13 0.00 0.09 0.00 0.00 40.66 42.91 1wlo h LEU 116 CO -0.84 -0.32 -0.48 0.54 0.09 0.00 0.00 178.44 177.43 1wlo n ARG 117 N -5.37 -0.33 -0.23 1.13 3.00 0.19 0.19 116.66 115.24 1wlo n ARG 117 Ca 0.01 1.43 0.09 0.00 -0.01 0.00 0.00 57.85 59.37 1wlo n ARG 117 Cb 0.33 -2.11 0.36 0.00 0.00 0.00 0.00 32.46 31.04 1wlo n ARG 117 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 1wlo h GLY 118 N 0.00 1.09 0.68 -0.13 0.00 -0.90 -1.98 103.07 101.83 1wlo h GLY 118 Ca 0.22 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 1wlo h GLY 118 CO -0.90 0.17 -0.11 1.41 0.00 0.00 0.00 176.54 177.11 1wlo h LEU 119 N 0.75 -0.26 -0.55 3.11 3.38 0.38 -3.26 115.31 118.85 1wlo h LEU 119 Ca 0.38 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 58.20 1wlo h LEU 119 Cb 0.47 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.21 1wlo h LEU 119 CO -0.15 0.08 -0.44 -0.33 0.09 0.00 0.00 178.44 177.69 1wlo h GLU 120 N -0.63 -0.14 -0.55 1.13 5.08 0.98 0.38 114.58 120.82 1wlo h GLU 120 Ca -0.03 0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.50 1wlo h GLU 120 Cb 0.45 0.03 -0.10 0.00 0.50 0.00 0.00 28.75 29.63 1wlo h GLU 120 CO 0.05 -0.10 0.05 0.00 -1.00 0.00 0.00 179.01 178.01 1wlo n ALA 121 N -3.10 0.32 -0.05 3.43 0.00 -0.90 0.15 120.51 120.36 1wlo n ALA 121 Ca -0.01 0.58 -0.07 0.00 0.00 0.00 0.00 53.44 53.95 1wlo n ALA 121 Cb 0.23 -0.45 -0.05 0.00 0.00 0.00 0.00 19.45 19.19 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 1.10 -0.55 -0.06 0.00 0.00 -0.31 0.91 119.26 120.34 1wlo h ALA 122 Ca 0.35 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.28 1wlo h ALA 122 Cb 0.76 0.88 -0.03 0.00 0.00 0.00 0.00 17.79 19.40 1wlo h ALA 122 CO -0.50 -0.67 -0.08 1.25 0.00 0.00 0.00 179.25 179.25 1wlo h LEU 123 N -0.20 -0.25 -0.68 0.00 7.12 0.14 -1.03 115.31 120.40 1wlo h LEU 123 Ca 0.03 0.05 0.08 0.00 0.13 0.00 0.00 57.88 58.17 1wlo h LEU 123 Cb 0.29 0.12 -0.11 0.00 -0.53 0.00 0.00 40.66 40.43 1wlo h LEU 123 CO -0.26 -0.11 -0.53 -0.07 -0.13 0.00 0.00 178.44 177.34 1wlo h LEU 124 N -0.11 -1.85 0.15 2.25 4.07 -0.05 0.52 115.31 120.30 1wlo h LEU 124 Ca 0.05 0.28 -0.00 0.00 0.08 0.00 0.00 57.88 58.29 1wlo h LEU 124 Cb 0.19 0.81 -0.02 0.00 1.08 0.00 0.00 40.66 42.72 1wlo h LEU 124 CO -0.13 -0.32 -0.26 0.03 -1.08 0.00 0.00 178.44 176.67 1wlo h ARG 125 N -0.20 -0.43 -0.98 1.13 3.08 0.12 0.15 114.38 117.25 1wlo h ARG 125 Ca 0.15 0.03 0.11 0.00 0.07 0.00 0.00 59.98 60.33 1wlo h ARG 125 Cb 0.53 0.10 -0.13 0.00 0.08 0.00 0.00 29.97 30.55 1wlo h ARG 125 CO -0.76 -0.28 -0.52 1.28 -1.07 0.00 0.00 179.97 178.62 1wlo n LEU 126 N -3.95 -0.92 -0.35 3.04 4.77 -0.43 0.20 117.00 119.36 1wlo n LEU 126 Ca -0.05 1.74 0.13 0.00 -0.03 0.00 0.00 56.01 57.79 1wlo n LEU 126 Cb 0.22 -0.27 0.32 0.00 -2.33 0.00 0.00 43.42 41.36 1wlo n LEU 126 CO 0.10 -1.46 1.20 1.56 -1.33 0.00 0.00 177.39 177.46 1wlo h GLN 127 N 0.00 0.74 0.00 3.23 4.20 0.36 1.34 115.11 124.98 1wlo h GLN 127 Ca 0.21 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.84 1wlo h GLN 127 Cb 0.46 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 1wlo h GLN 127 CO -0.94 0.49 -0.18 0.00 -0.67 0.00 0.00 178.83 177.54 1wlo h ALA 128 N 1.64 1.01 0.10 3.87 0.00 0.52 -1.88 119.26 124.52 1wlo h ALA 128 Ca 0.57 -0.16 -0.22 0.00 0.00 0.00 0.00 54.91 55.10 1wlo h ALA 128 Cb 0.89 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1wlo h ALA 128 CO -0.37 0.22 -1.09 1.96 0.00 0.00 0.00 179.25 179.97 1wlo h GLN 129 N 0.00 0.22 -0.04 0.00 4.20 0.83 -3.34 115.11 116.98 1wlo h GLN 129 Ca -0.00 -0.38 0.01 0.00 0.06 0.00 0.00 58.65 58.35 1wlo h GLN 129 Cb 0.72 0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.63 1wlo h GLN 129 CO 0.02 1.18 -0.05 0.28 -0.67 0.00 0.00 178.83 179.59 1wlo h VAL 130 N -0.44 0.86 -1.37 -0.54 2.07 0.11 -1.24 116.25 115.69 1wlo h VAL 130 Ca -0.23 0.00 0.44 0.00 0.82 0.00 0.00 66.70 67.73 1wlo h VAL 130 Cb 1.62 0.86 -0.12 0.00 -1.52 0.00 0.00 31.29 32.13 1wlo h VAL 130 CO 0.06 0.00 0.90 0.03 0.02 0.00 0.00 177.57 178.58 1wlo h ARG 131 N -0.07 0.08 -0.37 1.57 3.08 -1.49 1.66 114.38 118.84 1wlo h ARG 131 Ca 0.03 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 1wlo h ARG 131 Cb 0.12 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 1wlo h ARG 131 CO -0.08 0.05 0.15 0.87 -1.07 0.00 0.00 179.97 179.89 1wlo h LYS 132 N 0.08 0.56 -0.51 0.04 1.79 -1.34 -2.62 116.57 114.56 1wlo h LYS 132 Ca 0.81 -0.10 0.08 0.00 -2.18 0.00 0.00 60.65 59.27 1wlo h LYS 132 Cb 2.64 -0.09 -0.07 0.00 -1.58 0.00 0.00 32.23 33.13 1wlo h LYS 132 CO -0.36 0.54 0.13 0.00 -1.08 0.00 0.00 179.45 178.68 1wlo h ALA 133 N 0.99 0.60 -1.01 3.86 0.00 0.25 1.52 119.26 125.48 1wlo h ALA 133 Ca 0.12 0.10 0.23 0.00 0.00 0.00 0.00 54.91 55.36 1wlo h ALA 133 Cb 0.19 0.11 -0.12 0.00 0.00 0.00 0.00 17.79 17.97 1wlo h ALA 133 CO -0.01 -0.28 0.61 -0.07 0.00 0.00 0.00 179.25 179.50 1wlo h LEU 134 N 0.28 0.70 -3.80 0.00 4.07 -1.05 0.02 115.31 115.54 1wlo h LEU 134 Ca 0.26 0.12 -0.54 0.00 0.08 0.00 0.00 57.88 57.79 1wlo h LEU 134 Cb 0.33 0.00 -0.43 0.00 1.08 0.00 0.00 40.66 41.64 1wlo h LEU 134 CO -0.31 0.17 -0.82 1.07 -1.08 0.00 0.00 178.44 177.46 1wlo n THR 135 N -4.82 2.50 1.38 0.22 5.66 0.43 -5.13 114.28 114.52 1wlo n THR 135 Ca 0.25 -4.21 0.14 0.00 -3.05 0.00 0.00 64.05 57.18 1wlo n THR 135 Cb 0.69 -1.10 0.42 0.00 -1.55 0.00 0.00 70.33 68.80 1wlo n THR 135 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48