#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 -2.81 -1.52 1.12 0.31 -1.26 -4.99 118.33 109.19 1wlo n VAL 2 Ca 0.00 1.05 -0.30 0.00 -0.01 0.00 0.00 64.34 65.09 1wlo n VAL 2 Cb 0.00 -1.47 0.18 0.00 -0.91 0.00 0.00 33.84 31.65 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 -4.96 0.23 -0.07 5.55 0.04 -1.26 -4.86 135.00 129.68 1wlo s PRO 3 Ca 0.00 -0.05 -0.27 0.00 0.04 0.00 0.00 61.00 60.72 1wlo s PRO 3 Cb 0.00 -1.76 -0.23 0.00 0.04 0.00 0.00 34.50 32.54 1wlo s PRO 3 CO 0.00 -2.74 1.02 -1.00 0.04 0.00 0.00 177.00 174.32 1wlo h PRO 4 N -1.89 0.04 -0.77 0.56 0.13 -1.94 -1.33 132.00 126.81 1wlo h PRO 4 Ca -0.47 -0.04 0.15 0.00 -0.87 0.00 0.00 66.00 64.78 1wlo h PRO 4 Cb 1.29 0.01 -0.15 0.00 0.13 0.00 0.00 31.00 32.28 1wlo h PRO 4 CO 0.45 0.78 -0.20 0.87 -0.23 0.00 0.00 178.00 179.68 1wlo h LYS 5 N -0.69 -0.00 0.15 0.86 1.79 -1.94 1.61 116.57 118.35 1wlo h LYS 5 Ca -0.01 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1wlo h LYS 5 Cb 0.80 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.45 1wlo h LYS 5 CO 0.01 -0.00 -0.07 1.25 -1.08 0.00 0.00 179.45 179.55 1wlo h LEU 6 N -0.00 -0.17 -1.89 2.94 7.12 -1.68 -2.00 115.31 119.62 1wlo h LEU 6 Ca 0.37 0.01 0.55 0.00 0.13 0.00 0.00 57.88 58.93 1wlo h LEU 6 Cb 0.56 0.04 -0.09 0.00 -0.53 0.00 0.00 40.66 40.65 1wlo h LEU 6 CO -0.79 -0.08 1.31 0.50 -0.13 0.00 0.00 178.44 179.25 1wlo h LYS 7 N -0.30 0.00 0.59 1.25 1.63 -0.73 0.68 116.57 119.68 1wlo h LYS 7 Ca -0.02 -0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.75 1wlo h LYS 7 Cb 0.16 -0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.79 1wlo h LYS 7 CO 0.03 0.00 -0.28 1.96 -3.45 0.00 0.00 179.45 177.72 1wlo h GLN 8 N 0.00 -0.76 -0.62 1.90 4.20 0.25 0.42 115.11 120.50 1wlo h GLN 8 Ca 0.92 0.05 0.13 0.00 0.06 0.00 0.00 58.65 59.80 1wlo h GLN 8 Cb 3.55 0.17 -0.12 0.00 0.30 0.00 0.00 27.48 31.39 1wlo h GLN 8 CO -0.09 -0.48 -0.13 0.00 -0.67 0.00 0.00 178.83 177.47 1wlo h ALA 9 N -1.09 0.45 -0.12 3.87 0.00 0.11 1.55 119.26 124.02 1wlo h ALA 9 Ca -0.08 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1wlo h ALA 9 Cb 0.63 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1wlo h ALA 9 CO 0.13 -0.42 0.00 1.28 0.00 0.00 0.00 179.25 180.24 1wlo n LEU 10 N -5.40 0.02 -0.33 0.00 4.77 -0.46 0.56 117.00 116.16 1wlo n LEU 10 Ca 0.08 0.90 0.21 0.00 -0.03 0.00 0.00 56.01 57.18 1wlo n LEU 10 Cb 0.33 -0.48 0.41 0.00 -2.33 0.00 0.00 43.42 41.36 1wlo n LEU 10 CO 0.06 -0.48 0.94 -0.33 -1.33 0.00 0.00 177.39 176.25 1wlo h GLU 11 N 0.00 0.06 -0.31 3.23 5.08 0.16 1.37 114.58 124.17 1wlo h GLU 11 Ca 0.00 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1wlo h GLU 11 Cb 0.00 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1wlo h GLU 11 CO 0.00 0.04 0.03 1.25 -1.00 0.00 0.00 179.01 179.33 1wlo h LEU 12 N 0.06 0.51 0.03 1.33 5.85 0.23 -2.37 115.31 120.96 1wlo h LEU 12 Ca 0.69 -0.28 0.03 0.00 0.84 0.00 0.00 57.88 59.16 1wlo h LEU 12 Cb 1.62 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 42.46 1wlo h LEU 12 CO -0.80 0.66 -0.44 0.15 -0.34 0.00 0.00 178.44 177.66 1wlo h PHE 13 N 0.34 -1.26 0.00 1.25 3.57 0.72 1.94 116.94 123.50 1wlo h PHE 13 Ca 0.09 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1wlo h PHE 13 Cb 0.38 0.55 0.00 0.00 2.79 0.00 0.00 35.95 39.67 1wlo h PHE 13 CO 0.03 -0.52 0.01 -0.22 -2.23 0.00 0.00 178.31 175.38 1wlo h LYS 14 N -0.62 0.00 -0.00 1.11 3.64 -1.07 0.71 116.57 120.33 1wlo h LYS 14 Ca 0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1wlo h LYS 14 Cb 0.68 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1wlo h LYS 14 CO -0.31 0.00 -0.72 0.45 -2.27 0.00 0.00 179.45 176.60 1wlo n SER 15 N -2.30 1.13 -4.89 4.20 2.88 0.17 -4.97 113.62 109.83 1wlo n SER 15 Ca -0.02 -1.06 -0.29 0.00 -1.33 0.00 0.00 58.87 56.17 1wlo n SER 15 Cb 0.05 0.85 0.01 0.00 -0.75 0.00 0.00 64.21 64.37 1wlo n SER 15 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1wlo s LEU 16 N -2.68 3.36 0.25 2.46 1.43 0.61 -5.03 118.68 119.09 1wlo s LEU 16 Ca 0.09 1.14 -0.30 0.00 -1.03 0.00 0.00 54.13 54.04 1wlo s LEU 16 Cb 0.14 -4.12 -0.09 0.00 0.03 0.00 0.00 46.19 42.15 1wlo s LEU 16 CO 0.67 -0.81 1.09 -2.16 0.23 0.00 0.00 176.35 175.37 1wlo s PRO 17 N -5.00 4.65 0.00 1.29 0.04 -1.26 -4.64 135.00 130.07 1wlo s PRO 17 Ca 0.52 1.76 0.00 0.00 0.04 0.00 0.00 61.00 63.32 1wlo s PRO 17 Cb -0.11 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.22 1wlo s PRO 17 CO 0.49 0.21 0.90 0.36 0.04 0.00 0.00 177.00 179.00 1wlo n LYS 18 N 1.48 0.00 -0.32 4.56 2.85 -1.26 0.22 118.16 125.69 1wlo n LYS 18 Ca -0.00 0.90 0.28 0.00 -1.05 0.00 0.00 58.31 58.44 1wlo n LYS 18 Cb 0.45 -1.35 0.47 0.00 -0.65 0.00 0.00 35.03 33.96 1wlo n LYS 18 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 177.40 176.50 1wlo n GLU 19 N -2.88 -0.03 -0.07 -1.58 0.28 -1.26 0.93 120.64 116.04 1wlo n GLU 19 Ca 0.00 0.90 -0.08 0.00 -0.16 0.00 0.00 57.16 57.82 1wlo n GLU 19 Cb 0.00 -1.75 -0.05 0.00 1.43 0.00 0.00 31.44 31.07 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 0.00 -1.75 -1.84 4.07 0.19 -2.56 115.31 113.42 1wlo h LEU 20 Ca 0.62 -0.26 0.51 0.00 0.08 0.00 0.00 57.88 58.84 1wlo h LEU 20 Cb 1.97 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 43.64 1wlo h LEU 20 CO -0.35 0.84 1.26 -2.11 -1.08 0.00 0.00 178.44 177.00 1wlo n ARG 21 N -4.64 -0.00 -0.04 1.13 1.85 0.59 0.26 116.66 115.81 1wlo n ARG 21 Ca -0.10 0.97 -0.22 0.00 -1.00 0.00 0.00 57.85 57.50 1wlo n ARG 21 Cb 0.29 -2.22 -0.13 0.00 -1.05 0.00 0.00 32.46 29.34 1wlo n ARG 21 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1wlo h SER 22 N 0.00 0.23 -0.60 2.89 0.87 -0.95 -3.28 113.55 112.71 1wlo h SER 22 Ca 0.84 -0.75 -0.09 0.00 -1.23 0.00 0.00 61.79 60.56 1wlo h SER 22 Cb 3.35 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 65.21 1wlo h SER 22 CO -0.02 1.66 0.05 0.06 -0.53 0.00 0.00 176.83 178.05 1wlo h GLN 23 N -0.45 1.05 0.34 2.24 3.07 0.30 -3.08 115.11 118.59 1wlo h GLN 23 Ca -0.37 -0.30 -0.00 0.00 0.09 0.00 0.00 58.65 58.07 1wlo h GLN 23 Cb 1.68 -0.11 -0.03 0.00 0.08 0.00 0.00 27.48 29.10 1wlo h GLN 23 CO -0.04 1.00 -0.42 0.28 0.09 0.00 0.00 178.83 179.73 1wlo h VAL 24 N 0.97 0.16 -1.26 1.86 2.07 0.34 0.18 116.25 120.58 1wlo h VAL 24 Ca 0.18 0.00 0.42 0.00 0.82 0.00 0.00 66.70 68.13 1wlo h VAL 24 Cb 0.49 0.16 -0.13 0.00 -1.52 0.00 0.00 31.29 30.29 1wlo h VAL 24 CO 0.02 0.00 0.80 -0.07 0.02 0.00 0.00 177.57 178.34 1wlo h LEU 25 N -0.80 0.27 0.26 2.57 3.38 -1.60 0.78 115.31 120.18 1wlo h LEU 25 Ca -0.02 0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1wlo h LEU 25 Cb 0.74 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1wlo h LEU 25 CO -0.11 -0.20 -0.13 -0.07 0.09 0.00 0.00 178.44 178.03 1wlo h LEU 26 N 0.10 -0.30 -0.48 1.67 -0.00 -0.98 -3.18 115.31 112.14 1wlo h LEU 26 Ca 0.81 -0.23 0.10 0.00 -0.00 0.00 0.00 57.88 58.56 1wlo h LEU 26 Cb 2.46 0.08 -0.10 0.00 -0.00 0.00 0.00 40.66 43.10 1wlo h LEU 26 CO -0.47 0.13 -0.20 -0.33 -0.00 0.00 0.00 178.44 177.57 1wlo h GLU 27 N -0.81 -0.09 -0.99 1.13 5.08 0.21 -1.24 114.58 117.88 1wlo h GLU 27 Ca -0.04 0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.47 1wlo h GLU 27 Cb 0.51 0.02 -0.15 0.00 0.50 0.00 0.00 28.75 29.63 1wlo h GLU 27 CO 0.06 -0.06 -0.44 1.88 -1.00 0.00 0.00 179.01 179.45 1wlo h TYR 28 N -0.10 -1.30 -0.76 4.33 -1.99 -0.74 1.71 116.97 118.13 1wlo h TYR 28 Ca 0.23 0.11 0.05 0.00 2.00 0.00 0.00 58.73 61.12 1wlo h TYR 28 Cb 0.45 0.71 -0.05 0.00 2.00 0.00 0.00 36.73 39.85 1wlo h TYR 28 CO -0.48 -0.40 0.50 0.00 -0.00 0.00 0.00 178.16 177.78 1wlo h ALA 29 N 1.14 1.63 0.00 3.88 0.00 -1.24 0.32 119.26 124.99 1wlo h ALA 29 Ca 0.30 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1wlo h ALA 29 Cb 0.55 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1wlo h ALA 29 CO -0.97 0.27 -0.16 0.00 0.00 0.00 0.00 179.25 178.39 1wlo h ALA 30 N 1.58 1.30 -0.81 0.00 0.00 0.31 -1.37 119.26 120.27 1wlo h ALA 30 Ca 0.32 -0.14 -0.46 0.00 0.00 0.00 0.00 54.91 54.63 1wlo h ALA 30 Cb 0.18 -0.03 -0.25 0.00 0.00 0.00 0.00 17.79 17.70 1wlo h ALA 30 CO -0.10 0.20 0.58 1.63 0.00 0.00 0.00 179.25 181.55 1wlo n LYS 31 N -3.71 2.11 -3.87 0.00 4.01 0.11 -4.74 118.16 112.07 1wlo n LYS 31 Ca -0.02 -2.50 -0.30 0.00 -0.51 0.00 0.00 58.31 54.98 1wlo n LYS 31 Cb 0.27 -1.98 -0.15 0.00 -0.51 0.00 0.00 35.03 32.66 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 -3.00 1.65 0.70 -0.18 1.01 -0.52 -4.94 120.40 115.12 1wlo s VAL 32 Ca 0.48 -2.08 -0.11 0.00 0.00 0.00 0.00 61.98 60.27 1wlo s VAL 32 Cb 0.40 -2.21 0.01 0.00 0.00 0.00 0.00 36.38 34.57 1wlo s VAL 32 CO 0.06 -0.68 1.06 -2.16 0.00 0.00 0.00 175.10 173.38 1wlo s PRO 33 N 1.02 2.89 0.60 2.72 0.04 -1.26 -5.03 135.00 135.98 1wlo s PRO 33 Ca 0.12 0.94 -0.15 0.00 0.04 0.00 0.00 61.00 61.95 1wlo s PRO 33 Cb -0.20 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 1wlo s PRO 33 CO -0.13 -1.13 1.05 -1.25 0.04 0.00 0.00 177.00 175.58 1wlo s PRO 34 N -5.05 3.34 0.54 0.56 0.04 -1.26 -4.74 135.00 128.43 1wlo s PRO 34 Ca 0.58 1.14 -0.18 0.00 0.04 0.00 0.00 61.00 62.58 1wlo s PRO 34 Cb -0.14 -2.04 -0.06 0.00 0.04 0.00 0.00 34.50 32.30 1wlo s PRO 34 CO 0.55 -0.79 1.04 -1.25 0.04 0.00 0.00 177.00 176.60 1wlo s PRO 35 N -4.22 3.56 0.72 0.56 0.04 -1.24 -5.00 135.00 129.42 1wlo s PRO 35 Ca 0.62 1.24 -0.11 0.00 0.04 0.00 0.00 61.00 62.80 1wlo s PRO 35 Cb -0.15 -2.07 0.02 0.00 0.04 0.00 0.00 34.50 32.35 1wlo s PRO 35 CO 0.39 -0.62 1.07 -1.25 0.04 0.00 0.00 177.00 176.63 1wlo s PRO 36 N -3.75 2.76 0.02 0.56 0.04 -1.26 -5.00 135.00 128.37 1wlo s PRO 36 Ca 0.65 0.89 -0.30 0.00 0.04 0.00 0.00 61.00 62.27 1wlo s PRO 36 Cb -0.16 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 1wlo s PRO 36 CO 0.30 -1.21 1.18 -1.25 0.04 0.00 0.00 177.00 176.06 1wlo s PRO 37 N -5.07 4.42 0.00 0.56 0.04 -1.26 -3.31 135.00 130.38 1wlo s PRO 37 Ca 0.59 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.34 1wlo s PRO 37 Cb -0.14 -3.42 0.00 0.00 0.04 0.00 0.00 34.50 30.98 1wlo s PRO 37 CO 0.55 -0.29 0.00 0.41 0.04 0.00 0.00 177.00 177.70 1wlo n GLY 38 N 3.24 3.11 3.68 0.56 0.00 -1.26 -5.06 105.19 109.45 1wlo n GLY 38 Ca 0.09 -1.05 -0.47 0.00 0.00 0.00 0.00 46.02 44.59 1wlo n GLY 38 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1wlo n VAL 39 N 0.00 0.39 -3.18 1.61 0.31 -1.21 -4.93 118.33 111.32 1wlo n VAL 39 Ca 0.00 -0.07 -0.39 0.00 -0.01 0.00 0.00 64.34 63.87 1wlo n VAL 39 Cb 0.00 -1.80 -0.05 0.00 -0.91 0.00 0.00 33.84 31.07 1wlo n VAL 39 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1wlo s GLU 40 N 3.00 4.35 0.10 5.55 2.12 -1.26 -4.96 118.70 127.60 1wlo s GLU 40 Ca 0.87 0.63 0.09 0.00 0.36 0.00 0.00 54.97 56.92 1wlo s GLU 40 Cb -0.66 -3.47 -0.04 0.00 0.26 0.00 0.00 34.13 30.22 1wlo s GLU 40 CO 0.46 0.05 -0.18 -0.51 -0.54 0.00 0.00 175.26 174.55 1wlo s LEU 41 N 0.92 2.70 -0.10 2.70 1.02 -1.26 -4.71 118.68 119.94 1wlo s LEU 41 Ca 0.30 -0.53 -0.09 0.00 0.02 0.00 0.00 54.13 53.83 1wlo s LEU 41 Cb -0.16 -1.55 -0.04 0.00 0.02 0.00 0.00 46.19 44.45 1wlo s LEU 41 CO 0.13 0.19 0.21 -0.70 0.02 0.00 0.00 176.35 176.20 1wlo s GLU 42 N -2.02 3.66 0.16 1.70 2.12 -0.02 -4.79 118.70 119.52 1wlo s GLU 42 Ca 0.17 -0.00 -0.30 0.00 0.36 0.00 0.00 54.97 55.20 1wlo s GLU 42 Cb -0.11 -3.23 -0.07 0.00 0.26 0.00 0.00 34.13 30.98 1wlo s GLU 42 CO 0.09 0.69 1.14 0.50 -0.54 0.00 0.00 175.26 177.14 1wlo s ARG 43 N -0.83 4.55 -0.84 4.30 3.52 -1.26 -2.21 118.95 126.18 1wlo s ARG 43 Ca 0.16 1.76 -0.17 0.00 -0.13 0.00 0.00 55.73 57.36 1wlo s ARG 43 Cb -0.13 -3.28 0.17 0.00 -1.56 0.00 0.00 34.95 30.15 1wlo s ARG 43 CO 0.06 -0.01 0.91 0.08 -0.81 0.00 0.00 175.30 175.53 1wlo s VAL 44 N -0.03 5.13 0.14 7.11 1.01 0.03 -4.88 120.40 128.91 1wlo s VAL 44 Ca 0.51 -1.89 -0.19 0.00 0.00 0.00 0.00 61.98 60.41 1wlo s VAL 44 Cb -0.30 -4.60 -0.00 0.00 0.00 0.00 0.00 36.38 31.47 1wlo s VAL 44 CO 0.35 -1.24 1.71 0.45 0.00 0.00 0.00 175.10 176.36 1wlo h HIS 45 N 8.42 -0.03 -1.42 5.22 -0.00 -1.91 -0.66 115.15 124.76 1wlo h HIS 45 Ca 0.07 0.02 0.48 0.00 -0.00 0.00 0.00 60.37 60.95 1wlo h HIS 45 Cb 1.04 0.05 -0.14 0.00 -0.00 0.00 0.00 27.41 28.37 1wlo h HIS 45 CO 1.06 -0.05 0.92 1.49 -0.00 0.00 0.00 177.93 181.35 1wlo h GLU 46 N 0.07 0.01 -6.32 2.45 4.81 -1.90 -3.36 114.58 110.34 1wlo h GLU 46 Ca 0.12 -0.00 -0.56 0.00 -0.13 0.00 0.00 59.36 58.79 1wlo h GLU 46 Cb 0.17 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.51 1wlo h GLU 46 CO -0.22 0.00 -0.07 0.00 -0.73 0.00 0.00 179.01 177.99 1wlo h GLN 48 N 3.69 -0.88 -7.29 0.00 1.08 -1.80 -3.45 115.11 106.46 1wlo h GLN 48 Ca -0.49 0.06 -0.51 0.00 -1.45 0.00 0.00 58.65 56.26 1wlo h GLN 48 Cb 1.20 0.20 0.16 0.00 -0.05 0.00 0.00 27.48 28.99 1wlo h GLN 48 CO 0.65 -0.56 0.27 0.95 -0.95 0.00 0.00 178.83 179.19 1wlo s THR 49 N -4.84 2.74 -1.17 -0.54 -4.23 -1.26 -4.86 115.64 101.48 1wlo s THR 49 Ca -0.15 0.24 -0.19 0.00 -1.18 0.00 0.00 61.69 60.41 1wlo s THR 49 Cb 0.02 -2.53 -0.04 0.00 1.34 0.00 0.00 72.50 71.29 1wlo s THR 49 CO 0.46 -0.31 1.95 -0.81 -0.54 0.00 0.00 174.62 175.37 1wlo n PRO 50 N -3.88 2.27 -2.96 3.99 -0.04 -1.26 -4.81 135.00 128.30 1wlo n PRO 50 Ca 0.10 -2.53 -0.43 0.00 -0.04 0.00 0.00 63.50 60.60 1wlo n PRO 50 Cb 0.53 -3.35 -0.05 0.00 -0.04 0.00 0.00 33.50 30.59 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 5.85 2.92 -0.15 0.54 5.36 -1.26 -4.65 117.98 126.59 1wlo s PHE 51 Ca 0.57 -0.12 -0.06 0.00 -0.96 0.00 0.00 56.93 56.36 1wlo s PHE 51 Cb 0.08 -3.80 -0.04 0.00 -0.34 0.00 0.00 43.02 38.92 1wlo s PHE 51 CO 0.06 -1.16 0.06 -0.06 -1.46 0.00 0.00 175.22 172.66 1wlo s PHE 52 N 3.40 3.29 0.09 10.12 0.08 -1.20 -0.79 117.98 132.96 1wlo s PHE 52 Ca 0.26 0.18 -0.01 0.00 0.12 0.00 0.00 56.93 57.48 1wlo s PHE 52 Cb -0.14 -1.98 -0.04 0.00 -0.57 0.00 0.00 43.02 40.29 1wlo s PHE 52 CO 0.18 0.34 0.00 0.14 -0.10 0.00 0.00 175.22 175.78 1wlo s VAL 53 N -0.21 0.22 -0.14 -0.44 -7.23 -0.94 -1.16 120.40 110.50 1wlo s VAL 53 Ca 0.08 -1.86 -0.07 0.00 -1.81 0.00 0.00 61.98 58.31 1wlo s VAL 53 Cb -0.12 -1.76 0.05 0.00 0.56 0.00 0.00 36.38 35.11 1wlo s VAL 53 CO 0.01 -0.76 0.33 -2.28 -0.31 0.00 0.00 175.10 172.09 1wlo s HIS 54 N -3.95 -0.47 -0.03 2.82 2.46 -0.34 -0.84 115.29 114.94 1wlo s HIS 54 Ca 0.15 1.04 0.06 0.00 0.47 0.00 0.00 55.06 56.78 1wlo s HIS 54 Cb 0.08 0.15 -0.02 0.00 -0.13 0.00 0.00 32.58 32.65 1wlo s HIS 54 CO -0.05 -0.30 -0.22 0.00 -2.47 0.00 0.00 174.74 171.71 1wlo s ALA 55 N 1.43 2.32 0.14 1.58 0.00 -1.26 -2.26 121.76 123.70 1wlo s ALA 55 Ca -0.09 -1.07 -0.25 0.00 0.00 0.00 0.00 51.96 50.55 1wlo s ALA 55 Cb -0.10 -0.69 0.07 0.00 0.00 0.00 0.00 23.12 22.40 1wlo s ALA 55 CO -0.11 0.53 0.88 -0.51 0.00 0.00 0.00 175.76 176.56 1wlo s ASP 56 N -0.60 -0.26 -0.04 0.00 1.01 -1.06 -4.20 116.67 111.52 1wlo s ASP 56 Ca 0.09 -0.31 0.01 0.00 0.71 0.00 0.00 52.55 53.04 1wlo s ASP 56 Cb -0.11 0.51 0.02 0.00 1.01 0.00 0.00 42.92 44.36 1wlo s ASP 56 CO -0.00 -0.91 -0.02 0.54 0.21 0.00 0.00 175.17 174.99 1wlo s VAL 57 N -3.37 0.39 -0.32 -1.27 0.11 -1.26 0.27 120.40 114.95 1wlo s VAL 57 Ca 0.10 -0.03 0.02 0.00 -2.93 0.00 0.00 61.98 59.14 1wlo s VAL 57 Cb -0.02 -0.45 0.10 0.00 -1.53 0.00 0.00 36.38 34.48 1wlo s VAL 57 CO -0.01 0.20 0.06 -1.61 -3.33 0.00 0.00 175.10 170.40 1wlo s GLU 58 N 1.01 1.20 0.01 1.54 0.41 -0.10 -4.92 118.70 117.85 1wlo s GLU 58 Ca -0.10 -1.46 0.00 0.00 -0.41 0.00 0.00 54.97 53.00 1wlo s GLU 58 Cb -0.14 -2.66 0.00 0.00 -1.78 0.00 0.00 34.13 29.55 1wlo s GLU 58 CO -0.01 -0.92 0.00 0.41 -0.49 0.00 0.00 175.26 174.25 1wlo n GLY 59 N 4.53 1.80 0.59 -1.39 0.00 -1.26 -4.00 105.19 105.46 1wlo n GLY 59 Ca -0.00 -0.59 -0.01 0.00 0.00 0.00 0.00 46.02 45.42 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 3.00 -0.02 0.00 -1.26 -5.12 105.19 102.64 1wlo n GLY 60 Ca 0.00 -0.03 -0.09 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 0.37 -0.21 1.61 1.02 -1.26 -4.47 119.74 116.81 1wlo s LYS 61 Ca 0.01 -0.69 -0.11 0.00 0.02 0.00 0.00 55.97 55.19 1wlo s LYS 61 Cb 0.01 0.06 -0.05 0.00 -0.52 0.00 0.00 37.83 37.34 1wlo s LYS 61 CO -0.01 -0.04 0.20 0.14 -0.92 0.00 0.00 175.35 174.72 1wlo s VAL 62 N -1.70 5.35 -0.17 3.17 -7.23 0.31 -0.93 120.40 119.21 1wlo s VAL 62 Ca -0.13 0.30 -0.19 0.00 -1.81 0.00 0.00 61.98 60.16 1wlo s VAL 62 Cb -0.08 -3.54 -0.04 0.00 0.56 0.00 0.00 36.38 33.29 1wlo s VAL 62 CO -0.02 0.38 0.51 -0.13 -0.31 0.00 0.00 175.10 175.53 1wlo s ARG 63 N 0.72 4.25 0.05 4.82 1.81 0.75 -2.83 118.95 128.52 1wlo s ARG 63 Ca 0.10 0.44 -0.01 0.00 -1.72 0.00 0.00 55.73 54.55 1wlo s ARG 63 Cb -0.13 -3.52 -0.04 0.00 -0.45 0.00 0.00 34.95 30.81 1wlo s ARG 63 CO 0.02 -0.04 0.22 -0.51 -0.68 0.00 0.00 175.30 174.31 1wlo s LEU 64 N 1.29 4.35 -0.19 2.53 1.02 -1.26 -2.58 118.68 123.84 1wlo s LEU 64 Ca 0.25 0.33 -0.09 0.00 0.02 0.00 0.00 54.13 54.65 1wlo s LEU 64 Cb -0.15 -2.92 0.08 0.00 0.02 0.00 0.00 46.19 43.21 1wlo s LEU 64 CO 0.10 0.18 0.44 -0.31 0.02 0.00 0.00 176.35 176.78 1wlo s TYR 65 N -1.48 -0.75 0.09 0.29 2.02 -0.96 -4.99 117.35 111.57 1wlo s TYR 65 Ca 0.34 1.48 0.05 0.00 -0.37 0.00 0.00 57.07 58.58 1wlo s TYR 65 Cb -0.13 0.32 -0.03 0.00 -0.40 0.00 0.00 41.96 41.72 1wlo s TYR 65 CO 0.25 -0.43 -0.14 -0.06 -1.57 0.00 0.00 175.55 173.60 1wlo s PHE 66 N 2.04 1.28 -0.11 2.71 0.08 -1.26 -1.20 117.98 121.53 1wlo s PHE 66 Ca -0.06 -0.50 -0.03 0.00 0.12 0.00 0.00 56.93 56.46 1wlo s PHE 66 Cb -0.10 -0.70 0.05 0.00 -0.57 0.00 0.00 43.02 41.69 1wlo s PHE 66 CO -0.13 0.08 0.08 -1.58 -0.10 0.00 0.00 175.22 173.57 1wlo s HIS 67 N -1.60 0.10 -0.26 0.36 5.65 -0.31 -3.71 115.29 115.52 1wlo s HIS 67 Ca 0.02 0.02 0.02 0.00 0.25 0.00 0.00 55.06 55.37 1wlo s HIS 67 Cb -0.08 -0.56 0.06 0.00 -1.18 0.00 0.00 32.58 30.82 1wlo s HIS 67 CO 0.02 -0.35 -0.08 0.08 -0.65 0.00 0.00 174.74 173.77 1wlo s VAL 68 N 2.17 1.93 -0.00 0.89 1.01 -1.26 -3.25 120.40 121.88 1wlo s VAL 68 Ca 0.04 -1.53 -0.00 0.00 0.00 0.00 0.00 61.98 60.48 1wlo s VAL 68 Cb -0.14 -2.13 -0.00 0.00 0.00 0.00 0.00 36.38 34.11 1wlo s VAL 68 CO -0.06 -0.10 0.25 1.55 0.00 0.00 0.00 175.10 176.74 1wlo h PRO 69 N 7.83 -0.01 -1.59 2.72 0.13 -2.00 -3.28 132.00 135.79 1wlo h PRO 69 Ca -0.17 0.00 0.47 0.00 -0.87 0.00 0.00 66.00 65.42 1wlo h PRO 69 Cb 1.05 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.11 1wlo h PRO 69 CO 0.45 -0.01 1.13 -0.44 -0.23 0.00 0.00 178.00 178.90 1wlo h ASP 70 N -0.04 0.04 -4.22 1.44 3.32 -1.95 -3.44 116.42 111.56 1wlo h ASP 70 Ca -0.00 0.02 -0.15 0.00 0.02 0.00 0.00 57.03 56.91 1wlo h ASP 70 Cb 0.01 0.01 0.10 0.00 0.22 0.00 0.00 39.33 39.68 1wlo h ASP 70 CO 0.00 -0.02 -0.45 -0.62 -1.72 0.00 0.00 179.24 176.43 1wlo n GLU 71 N -4.13 -2.07 -2.89 3.56 1.02 -1.24 -4.99 120.64 109.90 1wlo n GLU 71 Ca 0.36 0.47 -0.41 0.00 -0.02 0.00 0.00 57.16 57.57 1wlo n GLU 71 Cb 1.64 -4.04 -0.04 0.00 -0.02 0.00 0.00 31.44 28.98 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 3.26 -1.21 0.62 0.00 -1.26 -4.92 121.76 115.04 1wlo s ALA 72 Ca 0.16 0.31 0.22 0.00 0.00 0.00 0.00 51.96 52.66 1wlo s ALA 72 Cb -0.02 -3.14 1.04 0.00 0.00 0.00 0.00 23.12 21.00 1wlo s ALA 72 CO 0.40 -0.18 1.72 -0.35 0.00 0.00 0.00 175.76 177.35 1wlo n PRO 73 N 3.89 0.16 -0.03 0.00 -0.04 -1.26 -0.37 135.00 137.34 1wlo n PRO 73 Ca 0.02 0.10 -0.01 0.00 -0.04 0.00 0.00 63.50 63.57 1wlo n PRO 73 Cb 0.51 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.33 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 -1.39 0.92 -0.03 0.52 -2.24 -1.26 -3.28 114.28 107.51 1wlo n THR 74 Ca 0.08 -0.70 -0.18 0.00 -2.27 0.00 0.00 64.05 60.97 1wlo n THR 74 Cb 0.22 -0.42 -0.14 0.00 -2.10 0.00 0.00 70.33 67.89 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 -2.65 1.68 -0.12 2.28 0.31 -1.05 -4.14 118.33 114.63 1wlo n VAL 75 Ca -0.17 -0.67 -0.09 0.00 -0.01 0.00 0.00 64.34 63.40 1wlo n VAL 75 Cb 0.89 -1.51 0.05 0.00 -0.91 0.00 0.00 33.84 32.35 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 0.04 0.88 -0.48 5.55 3.64 -0.91 -2.90 116.57 122.40 1wlo h LYS 76 Ca -0.45 -0.37 0.07 0.00 -1.27 0.00 0.00 60.65 58.64 1wlo h LYS 76 Cb 2.01 -0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 33.71 1wlo h LYS 76 CO 0.05 1.01 -0.48 0.00 -2.27 0.00 0.00 179.45 177.76 1wlo h ALA 77 N 0.98 -0.51 -0.29 5.00 0.00 -1.71 0.07 119.26 122.79 1wlo h ALA 77 Ca 0.10 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.13 1wlo h ALA 77 Cb 0.76 1.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.51 1wlo h ALA 77 CO 0.06 -0.92 -0.02 0.35 0.00 0.00 0.00 179.25 178.73 1wlo h PHE 78 N -0.31 -0.05 -0.89 0.00 3.57 -1.70 -1.24 116.94 116.32 1wlo h PHE 78 Ca 0.13 0.02 0.24 0.00 3.53 0.00 0.00 57.97 61.89 1wlo h PHE 78 Cb 0.58 0.07 -0.15 0.00 2.79 0.00 0.00 35.95 39.23 1wlo h PHE 78 CO -0.70 -0.07 0.13 0.00 -2.23 0.00 0.00 178.31 175.45 1wlo h ALA 79 N 1.26 1.17 0.00 2.41 0.00 -0.83 1.99 119.26 125.25 1wlo h ALA 79 Ca 0.14 0.27 -0.08 0.00 0.00 0.00 0.00 54.91 55.24 1wlo h ALA 79 Cb 0.19 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1wlo h ALA 79 CO -0.25 -0.51 -0.36 0.78 0.00 0.00 0.00 179.25 178.91 1wlo h GLY 80 N 0.12 0.00 1.56 0.00 0.00 -0.04 -2.32 103.07 102.39 1wlo h GLY 80 Ca 0.55 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.77 1wlo h GLY 80 CO -0.74 0.00 -0.31 -2.00 0.00 0.00 0.00 176.54 173.49 1wlo h LEU 81 N 0.00 0.52 0.16 3.11 5.85 0.39 1.01 115.31 126.34 1wlo h LEU 81 Ca -0.00 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 1wlo h LEU 81 Cb 0.69 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.57 1wlo h LEU 81 CO 0.05 0.80 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.80 1wlo h LEU 82 N 0.44 -0.18 -0.73 2.25 -0.00 -0.42 -2.96 115.31 113.71 1wlo h LEU 82 Ca 0.05 -0.30 0.00 0.00 -0.00 0.00 0.00 57.88 57.63 1wlo h LEU 82 Cb 0.76 0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.47 1wlo h LEU 82 CO 0.06 0.24 0.00 0.08 -0.00 0.00 0.00 178.44 178.82 1wlo h ARG 83 N -0.64 0.00 -0.31 1.13 0.11 -1.36 -3.04 114.38 110.28 1wlo h ARG 83 Ca -0.02 0.00 0.07 0.00 0.10 0.00 0.00 59.98 60.13 1wlo h ARG 83 Cb 0.47 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 31.47 1wlo h ARG 83 CO 0.04 0.00 -0.30 0.93 0.10 0.00 0.00 179.97 180.74 1wlo h GLU 84 N 0.00 -0.27 -1.48 0.08 4.39 0.12 -2.44 114.58 114.99 1wlo h GLU 84 Ca 0.00 0.02 -0.52 0.00 0.34 0.00 0.00 59.36 59.20 1wlo h GLU 84 Cb 0.54 0.06 -0.41 0.00 -0.10 0.00 0.00 28.75 28.84 1wlo h GLU 84 CO 0.00 -0.18 -0.88 0.41 -1.16 0.00 0.00 179.01 177.20 1wlo n GLY 85 N -1.40 4.52 0.54 -3.84 0.00 -1.22 -4.65 105.19 99.14 1wlo n GLY 85 Ca -0.00 -2.28 0.00 0.00 0.00 0.00 0.00 46.02 43.74 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 -0.29 0.00 -4.39 0.99 4.77 -1.15 -3.94 117.00 112.99 1wlo n LEU 86 Ca 0.29 0.00 -0.55 0.00 -0.03 0.00 0.00 56.01 55.72 1wlo n LEU 86 Cb 0.68 0.08 -0.09 0.00 -2.33 0.00 0.00 43.42 41.76 1wlo n LEU 86 CO 0.31 -0.14 1.73 1.21 -1.33 0.00 0.00 177.39 179.17 1wlo n GLU 87 N -1.77 0.65 -2.30 3.23 4.07 -0.93 0.13 120.64 123.72 1wlo n GLU 87 Ca 0.00 0.18 -0.02 0.00 -0.06 0.00 0.00 57.16 57.26 1wlo n GLU 87 Cb 0.00 -2.05 0.00 0.00 -0.06 0.00 0.00 31.44 29.34 1wlo n GLU 87 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1wlo n GLY 88 N 6.71 0.55 3.92 8.31 0.00 -1.13 -5.03 105.19 118.52 1wlo n GLY 88 Ca 0.45 -0.71 -0.25 0.00 0.00 0.00 0.00 46.02 45.51 1wlo n GLY 88 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wlo s GLU 89 N -4.57 2.27 0.60 1.61 0.41 0.35 -4.76 118.70 114.61 1wlo s GLU 89 Ca 0.02 -1.95 -0.14 0.00 -0.41 0.00 0.00 54.97 52.49 1wlo s GLU 89 Cb -0.01 -2.19 -0.04 0.00 -1.78 0.00 0.00 34.13 30.11 1wlo s GLU 89 CO 0.03 -0.65 1.03 -1.54 -0.49 0.00 0.00 175.26 173.64 1wlo s SER 90 N -4.34 6.01 0.23 -0.19 1.04 -1.26 0.11 113.70 115.29 1wlo s SER 90 Ca 0.39 1.61 0.25 0.00 0.48 0.00 0.00 55.95 58.68 1wlo s SER 90 Cb -0.03 -2.50 0.90 0.00 0.10 0.00 0.00 66.02 64.49 1wlo s SER 90 CO 0.24 -1.01 1.75 -0.81 0.98 0.00 0.00 173.24 174.38 1wlo n PRO 91 N -2.35 0.22 -0.05 4.02 -0.04 -1.26 -2.09 135.00 133.45 1wlo n PRO 91 Ca 0.07 0.31 -0.18 0.00 -0.04 0.00 0.00 63.50 63.66 1wlo n PRO 91 Cb 0.54 -1.83 -0.13 0.00 -0.04 0.00 0.00 33.50 32.03 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 -2.22 0.70 0.22 0.54 -0.58 -1.26 -3.27 120.64 114.77 1wlo n GLU 92 Ca 0.04 0.20 0.08 0.00 -0.42 0.00 0.00 57.16 57.06 1wlo n GLU 92 Cb 0.33 -1.63 0.50 0.00 -0.57 0.00 0.00 31.44 30.06 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 0.22 1.18 0.10 0.62 0.00 -1.93 -0.36 119.26 119.09 1wlo h ALA 93 Ca -0.48 -0.23 -0.23 0.00 0.00 0.00 0.00 54.91 53.96 1wlo h ALA 93 Cb 2.00 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 19.78 1wlo h ALA 93 CO 0.02 0.32 -0.98 0.28 0.00 0.00 0.00 179.25 178.89 1wlo h VAL 94 N 0.00 1.38 -0.34 0.00 2.07 -1.57 -3.24 116.25 114.55 1wlo h VAL 94 Ca -0.00 -2.39 -0.06 0.00 0.82 0.00 0.00 66.70 65.06 1wlo h VAL 94 Cb 0.62 2.82 -0.02 0.00 -1.52 0.00 0.00 31.29 33.20 1wlo h VAL 94 CO 0.03 0.71 -0.06 -0.07 0.02 0.00 0.00 177.57 178.20 1wlo h LEU 95 N -0.00 0.54 -2.19 2.57 -0.00 -1.47 -1.63 115.31 113.13 1wlo h LEU 95 Ca -0.15 -0.12 0.04 0.00 -0.00 0.00 0.00 57.88 57.65 1wlo h LEU 95 Cb 1.70 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 42.22 1wlo h LEU 95 CO 0.19 0.65 0.14 -0.33 -0.00 0.00 0.00 178.44 179.08 1wlo h GLU 96 N 0.53 0.00 -6.18 1.13 4.39 -1.09 -3.40 114.58 109.96 1wlo h GLU 96 Ca 0.10 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.23 1wlo h GLU 96 Cb 0.43 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 1wlo h GLU 96 CO 0.02 0.00 1.33 0.08 -1.16 0.00 0.00 179.01 179.28 1wlo s VAL 97 N -4.79 3.29 0.92 3.13 1.01 -0.62 -4.12 120.40 119.22 1wlo s VAL 97 Ca -0.05 0.31 -0.12 0.00 0.00 0.00 0.00 61.98 62.12 1wlo s VAL 97 Cb 0.16 -3.35 0.14 0.00 0.00 0.00 0.00 36.38 33.34 1wlo s VAL 97 CO 0.60 -0.19 1.14 -2.16 0.00 0.00 0.00 175.10 174.49 1wlo s PRO 98 N 5.61 1.09 0.00 2.72 0.04 -1.26 -4.93 135.00 138.27 1wlo s PRO 98 Ca 0.87 0.27 0.23 0.00 0.04 0.00 0.00 61.00 62.41 1wlo s PRO 98 Cb -0.29 -1.84 1.33 0.00 0.04 0.00 0.00 34.50 33.75 1wlo s PRO 98 CO 0.34 -2.23 1.77 -0.35 0.04 0.00 0.00 177.00 176.58 1wlo n PRO 99 N -3.78 0.61 -2.56 0.56 -0.04 -1.26 -3.03 135.00 125.50 1wlo n PRO 99 Ca 0.07 0.02 -0.11 0.00 -0.04 0.00 0.00 63.50 63.44 1wlo n PRO 99 Cb 0.59 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.58 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 0.54 3.39 0.00 0.55 0.00 -1.26 -4.81 105.19 103.60 1wlo n GLY 100 Ca 0.16 -1.73 0.15 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.49 0.00 -0.07 1.61 1.16 -1.17 -3.50 117.46 115.00 1wlo n PHE 101 Ca 0.21 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.69 1wlo n PHE 101 Cb 0.83 -0.19 -0.08 0.00 -1.61 0.00 0.00 39.48 38.43 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 -1.18 0.00 -1.63 2.97 4.11 -1.26 -4.96 117.16 115.20 1wlo n TYR 102 Ca 0.17 0.00 -0.51 0.00 -0.00 0.00 0.00 57.90 57.56 1wlo n TYR 102 Cb 0.20 -0.59 -0.06 0.00 -0.00 0.00 0.00 39.34 38.89 1wlo n TYR 102 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1wlo n ARG 103 N -2.80 1.41 0.00 -3.48 1.74 -1.23 -2.86 116.66 109.44 1wlo n ARG 103 Ca -0.25 0.51 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 1wlo n ARG 103 Cb 0.82 -2.19 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 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 3.03 2.25 0.00 -0.13 0.00 -1.26 -4.95 105.19 104.13 1wlo n GLY 104 Ca 0.19 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 0.00 0.00 0.00 1.61 4.01 -1.13 -4.80 117.16 116.84 1wlo n TYR 105 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1wlo n TYR 105 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 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 -0.40 -0.21 0.17 2.72 0.00 -1.26 -4.86 105.19 101.35 1wlo n GLY 106 Ca 0.00 0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 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 2.28 -0.28 0.99 4.77 -1.26 -4.43 117.00 119.07 1wlo n LEU 107 Ca 0.00 0.14 0.09 0.00 -0.03 0.00 0.00 56.01 56.21 1wlo n LEU 107 Cb 0.00 -0.79 0.33 0.00 -2.33 0.00 0.00 43.42 40.63 1wlo n LEU 107 CO 0.00 0.68 1.23 -0.08 -1.33 0.00 0.00 177.39 177.89 1wlo h GLU 108 N -0.56 0.77 -1.23 3.23 4.81 -1.88 0.11 114.58 119.83 1wlo h GLU 108 Ca -0.61 -0.05 0.36 0.00 -0.13 0.00 0.00 59.36 58.93 1wlo h GLU 108 Cb 1.68 -0.17 -0.06 0.00 0.63 0.00 0.00 28.75 30.82 1wlo h GLU 108 CO -0.27 0.51 0.87 0.93 -0.73 0.00 0.00 179.01 180.32 1wlo h GLU 109 N 0.80 0.05 0.03 1.92 5.08 -1.96 -0.72 114.58 119.78 1wlo h GLU 109 Ca 0.43 -0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 58.40 1wlo h GLU 109 Cb 0.54 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.73 1wlo h GLU 109 CO -0.19 0.03 -2.24 1.19 -1.00 0.00 0.00 179.01 176.80 1wlo n PHE 110 N -4.24 0.43 -3.81 4.33 3.72 0.23 -4.89 117.46 113.24 1wlo n PHE 110 Ca 0.27 0.12 -0.36 0.00 -0.05 0.00 0.00 57.45 57.43 1wlo n PHE 110 Cb 1.27 -1.05 -0.11 0.00 -0.94 0.00 0.00 39.48 38.64 1wlo n PHE 110 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 1wlo s PHE 111 N -2.51 3.16 0.96 1.38 0.08 -0.28 -5.08 117.98 115.70 1wlo s PHE 111 Ca -0.32 -0.15 -0.15 0.00 0.12 0.00 0.00 56.93 56.43 1wlo s PHE 111 Cb 0.09 -2.22 -0.05 0.00 -0.57 0.00 0.00 43.02 40.27 1wlo s PHE 111 CO 0.62 -0.15 -0.14 0.25 -0.10 0.00 0.00 175.22 175.69 1wlo n THR 112 N 4.51 0.04 0.24 0.64 -2.24 -1.25 -4.20 114.28 112.03 1wlo n THR 112 Ca -0.16 -0.34 0.14 0.00 -2.27 0.00 0.00 64.05 61.43 1wlo n THR 112 Cb 0.52 -0.34 0.42 0.00 -2.10 0.00 0.00 70.33 68.83 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 -1.27 0.00 0.11 -0.78 0.13 -1.98 -2.84 132.00 125.37 1wlo h PRO 113 Ca -0.44 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.69 1wlo h PRO 113 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1wlo h PRO 113 CO 0.29 0.03 -0.05 -0.07 -0.23 0.00 0.00 178.00 177.97 1wlo h LEU 114 N 0.00 -0.13 -0.91 1.56 -0.00 -2.00 -2.90 115.31 110.93 1wlo h LEU 114 Ca -0.00 -0.28 0.17 0.00 -0.00 0.00 0.00 57.88 57.77 1wlo h LEU 114 Cb 0.77 0.03 -0.10 0.00 -0.00 0.00 0.00 40.66 41.36 1wlo h LEU 114 CO 0.00 0.47 0.49 -0.09 -0.00 0.00 0.00 178.44 179.31 1wlo h ARG 115 N -0.98 0.61 -0.09 1.13 2.43 -1.92 0.14 114.38 115.70 1wlo h ARG 115 Ca -0.02 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1wlo h ARG 115 Cb 0.40 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 1wlo h ARG 115 CO 0.03 0.41 -0.07 -0.07 -1.51 0.00 0.00 179.97 178.75 1wlo h LEU 116 N 0.63 -0.23 -1.66 3.80 -0.00 -1.58 0.35 115.31 116.61 1wlo h LEU 116 Ca 0.52 0.05 0.39 0.00 -0.00 0.00 0.00 57.88 58.84 1wlo h LEU 116 Cb 0.81 0.12 -0.05 0.00 -0.00 0.00 0.00 40.66 41.53 1wlo h LEU 116 CO -0.40 -0.10 1.16 0.03 -0.00 0.00 0.00 178.44 179.13 1wlo h ARG 117 N -0.08 0.00 0.10 1.13 3.08 -0.74 1.00 114.38 118.86 1wlo h ARG 117 Ca 0.06 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.76 1wlo h ARG 117 Cb 0.17 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 1wlo h ARG 117 CO -0.15 0.00 -1.93 0.41 -1.07 0.00 0.00 179.97 177.23 1wlo n GLY 118 N -1.78 -0.58 0.11 0.04 0.00 -0.06 -4.01 105.19 98.91 1wlo n GLY 118 Ca 0.30 -0.22 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 1wlo n GLY 118 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wlo h LEU 119 N -0.10 0.14 -1.29 0.99 3.38 0.25 -1.45 115.31 117.22 1wlo h LEU 119 Ca -0.43 0.01 0.27 0.00 0.09 0.00 0.00 57.88 57.82 1wlo h LEU 119 Cb 1.92 -0.02 -0.10 0.00 0.09 0.00 0.00 40.66 42.55 1wlo h LEU 119 CO 0.03 0.11 0.66 -0.33 0.09 0.00 0.00 178.44 179.00 1wlo h GLU 120 N 0.21 0.41 -1.05 1.13 4.39 -0.36 0.60 114.58 119.90 1wlo h GLU 120 Ca 0.08 -0.02 0.28 0.00 0.34 0.00 0.00 59.36 60.04 1wlo h GLU 120 Cb 0.02 -0.09 -0.11 0.00 -0.10 0.00 0.00 28.75 28.47 1wlo h GLU 120 CO -0.06 0.27 0.65 0.00 -1.16 0.00 0.00 179.01 178.71 1wlo h ALA 121 N 1.64 2.11 0.06 3.43 0.00 -1.39 -0.65 119.26 124.47 1wlo h ALA 121 Ca 0.61 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.62 1wlo h ALA 121 Cb 1.49 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 1wlo h ALA 121 CO -0.34 -0.58 -0.22 0.00 0.00 0.00 0.00 179.25 178.12 1wlo h ALA 122 N 1.67 -0.76 -0.31 0.00 0.00 0.14 1.47 119.26 121.48 1wlo h ALA 122 Ca 0.64 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.56 1wlo h ALA 122 Cb 1.52 0.62 -0.08 0.00 0.00 0.00 0.00 17.79 19.85 1wlo h ALA 122 CO -0.39 -0.81 -0.39 1.25 0.00 0.00 0.00 179.25 178.92 1wlo h LEU 123 N -0.32 -1.26 -0.59 0.00 5.85 -1.27 0.68 115.31 118.40 1wlo h LEU 123 Ca -0.00 0.19 0.12 0.00 0.84 0.00 0.00 57.88 59.03 1wlo h LEU 123 Cb 0.32 0.55 -0.10 0.00 0.37 0.00 0.00 40.66 41.80 1wlo h LEU 123 CO -0.11 -0.37 -0.02 -0.07 -0.34 0.00 0.00 178.44 177.53 1wlo h LEU 124 N -0.36 -0.30 0.64 2.25 3.38 -0.88 0.79 115.31 120.84 1wlo h LEU 124 Ca 0.13 0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.22 1wlo h LEU 124 Cb 0.58 0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1wlo h LEU 124 CO -0.50 -0.12 -0.35 0.03 0.09 0.00 0.00 178.44 177.60 1wlo h ARG 125 N 0.10 -0.88 -0.69 1.13 3.08 0.44 -2.32 114.38 115.25 1wlo h ARG 125 Ca 0.30 0.06 0.15 0.00 0.07 0.00 0.00 59.98 60.56 1wlo h ARG 125 Cb 0.48 0.20 -0.12 0.00 0.08 0.00 0.00 29.97 30.61 1wlo h ARG 125 CO -0.52 -0.59 -0.07 -0.07 -1.07 0.00 0.00 179.97 177.66 1wlo h LEU 126 N -0.91 -0.45 -1.88 3.04 3.38 0.82 1.34 115.31 120.66 1wlo h LEU 126 Ca -0.09 0.19 0.20 0.00 0.09 0.00 0.00 57.88 58.27 1wlo h LEU 126 Cb 0.71 0.36 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 1wlo h LEU 126 CO 0.12 -0.18 0.64 1.56 0.09 0.00 0.00 178.44 180.66 1wlo h GLN 127 N 0.06 0.00 0.04 1.13 4.20 0.79 1.39 115.11 122.73 1wlo h GLN 127 Ca 0.35 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.82 1wlo h GLN 127 Cb 0.58 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 1wlo h GLN 127 CO -0.64 0.00 -1.20 0.00 -0.67 0.00 0.00 178.83 176.31 1wlo h ALA 128 N 1.39 0.34 0.00 3.87 0.00 0.23 -2.15 119.26 122.94 1wlo h ALA 128 Ca 0.33 -1.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.08 1wlo h ALA 128 Cb 1.60 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 1wlo h ALA 128 CO -0.00 1.22 -0.79 1.96 0.00 0.00 0.00 179.25 181.64 1wlo h GLN 129 N 0.02 0.00 0.17 0.00 4.20 0.26 -3.11 115.11 116.65 1wlo h GLN 129 Ca -0.10 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 1wlo h GLN 129 Cb 1.87 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.65 1wlo h GLN 129 CO 0.14 0.79 -0.08 0.28 -0.67 0.00 0.00 178.83 179.29 1wlo h VAL 130 N 0.00 0.00 -1.69 -0.54 2.07 -0.14 -3.15 116.25 112.81 1wlo h VAL 130 Ca -0.01 -0.75 0.52 0.00 0.82 0.00 0.00 66.70 67.27 1wlo h VAL 130 Cb 1.42 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 31.09 1wlo h VAL 130 CO 0.10 0.00 1.18 0.03 0.02 0.00 0.00 177.57 178.90 1wlo h ARG 131 N -0.98 0.02 -0.19 1.57 3.08 -1.50 1.94 114.38 118.31 1wlo h ARG 131 Ca -0.02 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1wlo h ARG 131 Cb 0.17 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1wlo h ARG 131 CO 0.04 0.01 0.00 -0.22 -1.07 0.00 0.00 179.97 178.73 1wlo h LYS 132 N 0.02 0.34 -0.87 0.04 3.11 -1.57 -2.78 116.57 114.85 1wlo h LYS 132 Ca 0.88 -0.11 0.16 0.00 -2.81 0.00 0.00 60.65 58.77 1wlo h LYS 132 Cb 3.28 -0.03 -0.10 0.00 -1.00 0.00 0.00 32.23 34.38 1wlo h LYS 132 CO -0.18 0.54 0.45 0.00 -2.81 0.00 0.00 179.45 177.45 1wlo h ALA 133 N 0.78 1.32 -0.97 5.00 0.00 0.31 1.68 119.26 127.39 1wlo h ALA 133 Ca 0.05 0.09 0.16 0.00 0.00 0.00 0.00 54.91 55.22 1wlo h ALA 133 Cb 0.39 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.07 1wlo h ALA 133 CO 0.01 -0.11 0.58 -0.07 0.00 0.00 0.00 179.25 179.67 1wlo h LEU 134 N 0.62 0.77 0.00 0.00 4.07 -1.15 0.27 115.31 119.88 1wlo h LEU 134 Ca 0.48 0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.52 1wlo h LEU 134 Cb 0.71 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.39 1wlo h LEU 134 CO -0.38 0.32 -0.88 1.07 -1.08 0.00 0.00 178.44 177.49 1wlo n THR 135 N -4.75 0.32 -1.31 0.22 5.66 0.13 -5.14 114.28 109.41 1wlo n THR 135 Ca 0.21 -0.31 0.00 0.00 -3.05 0.00 0.00 64.05 60.90 1wlo n THR 135 Cb 0.49 -0.03 0.00 0.00 -1.55 0.00 0.00 70.33 69.24 1wlo n THR 135 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78