#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wlo n VAL 2 N 0.00 -3.71 -1.52 1.12 0.31 -1.26 -4.98 118.33 108.29 1wlo n VAL 2 Ca 0.00 1.58 -0.29 0.00 -0.01 0.00 0.00 64.34 65.62 1wlo n VAL 2 Cb 0.00 -2.22 0.17 0.00 -0.91 0.00 0.00 33.84 30.88 1wlo n VAL 2 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1wlo s PRO 3 N -4.52 0.50 -0.07 5.55 0.04 -1.26 -4.85 135.00 130.38 1wlo s PRO 3 Ca 0.00 0.05 -0.17 0.00 0.04 0.00 0.00 61.00 60.92 1wlo s PRO 3 Cb 0.00 -1.79 -0.13 0.00 0.04 0.00 0.00 34.50 32.62 1wlo s PRO 3 CO 0.00 -2.59 0.66 -1.00 0.04 0.00 0.00 177.00 174.11 1wlo h PRO 4 N -1.77 -0.19 -1.00 0.56 0.13 -1.93 -0.27 132.00 127.53 1wlo h PRO 4 Ca -0.48 0.01 0.34 0.00 -0.87 0.00 0.00 66.00 65.01 1wlo h PRO 4 Cb 1.30 0.04 -0.18 0.00 0.13 0.00 0.00 31.00 32.29 1wlo h PRO 4 CO 0.50 0.20 0.26 0.87 -0.23 0.00 0.00 178.00 179.60 1wlo h LYS 5 N -0.95 0.00 0.04 0.86 1.79 -1.94 1.92 116.57 118.30 1wlo h LYS 5 Ca -0.02 -0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1wlo h LYS 5 Cb 0.47 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 1wlo h LYS 5 CO 0.03 0.00 -0.02 1.25 -1.08 0.00 0.00 179.45 179.64 1wlo h LEU 6 N 0.00 -0.04 -1.60 2.94 5.85 -1.69 -2.92 115.31 117.84 1wlo h LEU 6 Ca 0.72 0.00 0.51 0.00 0.84 0.00 0.00 57.88 59.95 1wlo h LEU 6 Cb 1.71 0.01 -0.11 0.00 0.37 0.00 0.00 40.66 42.63 1wlo h LEU 6 CO -0.86 0.03 1.09 1.17 -0.34 0.00 0.00 178.44 179.54 1wlo n LYS 7 N -2.49 -0.02 0.11 1.25 3.00 -0.11 0.19 118.16 120.08 1wlo n LYS 7 Ca -0.01 1.16 -0.13 0.00 -0.00 0.00 0.00 58.31 59.33 1wlo n LYS 7 Cb 0.02 -2.44 -0.08 0.00 0.00 0.00 0.00 35.03 32.53 1wlo n LYS 7 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1wlo h GLN 8 N 0.00 -0.23 0.86 1.64 7.50 0.29 0.25 115.11 125.42 1wlo h GLN 8 Ca 0.89 0.02 -0.04 0.00 0.50 0.00 0.00 58.65 60.01 1wlo h GLN 8 Cb 3.18 0.05 0.01 0.00 0.05 0.00 0.00 27.48 30.77 1wlo h GLN 8 CO -0.27 -0.01 -0.41 0.00 -1.50 0.00 0.00 178.83 176.63 1wlo h ALA 9 N 0.37 -1.15 -0.58 3.87 0.00 0.23 0.69 119.26 122.69 1wlo h ALA 9 Ca -0.02 -0.25 0.12 0.00 0.00 0.00 0.00 54.91 54.75 1wlo h ALA 9 Cb 0.32 0.45 -0.11 0.00 0.00 0.00 0.00 17.79 18.45 1wlo h ALA 9 CO 0.04 -1.13 -0.18 -0.07 0.00 0.00 0.00 179.25 177.90 1wlo h LEU 10 N -1.18 -0.67 0.90 0.00 3.38 -1.11 1.62 115.31 118.25 1wlo h LEU 10 Ca -0.12 0.19 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1wlo h LEU 10 Cb 0.89 0.40 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1wlo h LEU 10 CO 0.19 -0.22 -0.47 -0.33 0.09 0.00 0.00 178.44 177.70 1wlo h GLU 11 N -0.04 -1.21 -0.82 1.13 5.08 -0.29 -1.28 114.58 117.15 1wlo h GLU 11 Ca 0.27 0.08 0.15 0.00 -1.00 0.00 0.00 59.36 58.87 1wlo h GLU 11 Cb 0.46 0.28 -0.10 0.00 0.50 0.00 0.00 28.75 29.89 1wlo h GLU 11 CO -0.62 -0.81 0.38 1.25 -1.00 0.00 0.00 179.01 178.22 1wlo h LEU 12 N -1.26 0.41 0.14 1.33 5.85 0.13 0.16 115.31 122.06 1wlo h LEU 12 Ca -0.12 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1wlo h LEU 12 Cb 0.98 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 1wlo h LEU 12 CO 0.18 0.15 -0.37 0.15 -0.34 0.00 0.00 178.44 178.21 1wlo h PHE 13 N 0.53 -1.06 -0.32 1.25 3.57 0.27 1.63 116.94 122.82 1wlo h PHE 13 Ca 0.46 0.02 0.09 0.00 3.53 0.00 0.00 57.97 62.07 1wlo h PHE 13 Cb 0.69 0.44 -0.01 0.00 2.79 0.00 0.00 35.95 39.87 1wlo h PHE 13 CO -0.13 -0.43 0.23 -0.22 -2.23 0.00 0.00 178.31 175.54 1wlo h LYS 14 N -0.56 0.00 0.00 1.11 3.64 -0.58 0.48 116.57 120.66 1wlo h LYS 14 Ca -0.01 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.27 1wlo h LYS 14 Cb 0.55 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 1wlo h LYS 14 CO -0.17 0.00 -0.46 1.03 -2.27 0.00 0.00 179.45 177.58 1wlo h SER 15 N 0.00 0.00 -4.27 4.20 0.87 0.11 -3.45 113.55 111.01 1wlo h SER 15 Ca 0.15 0.00 -0.50 0.00 -1.23 0.00 0.00 61.79 60.21 1wlo h SER 15 Cb 0.61 0.00 0.08 0.00 -0.44 0.00 0.00 62.40 62.66 1wlo h SER 15 CO -0.00 0.46 0.37 -0.76 -0.53 0.00 0.00 176.83 176.37 1wlo s LEU 16 N -6.68 3.30 0.19 2.23 1.43 0.54 -5.00 118.68 114.69 1wlo s LEU 16 Ca 0.02 1.74 -0.30 0.00 -1.03 0.00 0.00 54.13 54.57 1wlo s LEU 16 Cb 0.09 -4.52 -0.08 0.00 0.03 0.00 0.00 46.19 41.71 1wlo s LEU 16 CO 0.72 -1.38 1.11 -2.16 0.23 0.00 0.00 176.35 174.87 1wlo s PRO 17 N -4.55 4.59 0.02 1.29 0.04 -1.26 -4.74 135.00 130.38 1wlo s PRO 17 Ca 0.61 1.75 -0.03 0.00 0.04 0.00 0.00 61.00 63.37 1wlo s PRO 17 Cb -0.15 -3.26 -0.01 0.00 0.04 0.00 0.00 34.50 31.12 1wlo s PRO 17 CO 0.46 0.07 0.79 1.17 0.04 0.00 0.00 177.00 179.54 1wlo n LYS 18 N 2.20 -0.05 -0.29 4.56 4.81 -1.26 0.14 118.16 128.27 1wlo n LYS 18 Ca 0.02 0.79 -0.03 0.00 -0.87 0.00 0.00 58.31 58.22 1wlo n LYS 18 Cb 0.46 -1.18 -0.00 0.00 0.02 0.00 0.00 35.03 34.32 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 -3.04 -0.22 -0.08 1.64 0.00 -1.26 0.20 120.64 117.88 1wlo n GLU 19 Ca 0.00 1.11 -0.10 0.00 0.00 0.00 0.00 57.16 58.17 1wlo n GLU 19 Cb 0.03 -1.64 -0.03 0.00 0.00 0.00 0.00 31.44 29.80 1wlo n GLU 19 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1wlo h LEU 20 N 0.00 0.36 -1.39 -1.84 3.38 -0.12 -1.51 115.31 114.19 1wlo h LEU 20 Ca 0.21 -0.13 0.15 0.00 0.09 0.00 0.00 57.88 58.19 1wlo h LEU 20 Cb 0.39 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1wlo h LEU 20 CO -0.71 0.39 0.77 0.03 0.09 0.00 0.00 178.44 179.01 1wlo h ARG 21 N 0.31 0.00 0.20 1.13 3.08 1.09 1.63 114.38 121.81 1wlo h ARG 21 Ca 0.09 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.83 1wlo h ARG 21 Cb 0.13 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.20 1wlo h ARG 21 CO -0.01 0.00 -1.44 1.03 -1.07 0.00 0.00 179.97 178.48 1wlo h SER 22 N 0.00 0.66 0.03 7.04 0.87 0.06 -3.17 113.55 119.03 1wlo h SER 22 Ca 0.24 -0.74 -0.00 0.00 -1.23 0.00 0.00 61.79 60.06 1wlo h SER 22 Cb 1.78 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 63.52 1wlo h SER 22 CO -0.00 1.59 -0.01 0.06 -0.53 0.00 0.00 176.83 177.93 1wlo h GLN 23 N 0.11 -0.03 -0.73 2.24 3.07 0.23 -3.05 115.11 116.96 1wlo h GLN 23 Ca -0.23 0.00 0.16 0.00 0.09 0.00 0.00 58.65 58.67 1wlo h GLN 23 Cb 2.09 0.01 -0.13 0.00 0.08 0.00 0.00 27.48 29.53 1wlo h GLN 23 CO 0.24 0.51 -0.09 -0.24 0.09 0.00 0.00 178.83 179.34 1wlo h VAL 24 N -0.60 0.32 -0.60 1.86 3.04 -0.82 0.86 116.25 120.30 1wlo h VAL 24 Ca -0.00 -0.02 0.11 0.00 -1.01 0.00 0.00 66.70 65.78 1wlo h VAL 24 Cb 0.56 0.26 -0.09 0.00 -2.01 0.00 0.00 31.29 30.02 1wlo h VAL 24 CO 0.01 0.01 0.14 -0.07 -1.01 0.00 0.00 177.57 176.64 1wlo h LEU 25 N 0.05 0.03 -0.13 3.16 3.38 -1.56 0.36 115.31 120.60 1wlo h LEU 25 Ca 0.38 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.44 1wlo h LEU 25 Cb 0.62 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 1wlo h LEU 25 CO -0.70 0.02 0.01 -0.07 0.09 0.00 0.00 178.44 177.80 1wlo h LEU 26 N 0.27 0.21 -0.07 1.67 -0.00 0.23 -3.01 115.31 114.62 1wlo h LEU 26 Ca 0.32 -0.28 0.04 0.00 -0.00 0.00 0.00 57.88 57.96 1wlo h LEU 26 Cb 0.47 -0.06 -0.06 0.00 -0.00 0.00 0.00 40.66 41.01 1wlo h LEU 26 CO -0.40 0.43 -0.43 -0.33 -0.00 0.00 0.00 178.44 177.72 1wlo h GLU 27 N -0.02 -0.52 -0.90 1.13 4.39 0.18 -1.67 114.58 117.17 1wlo h GLU 27 Ca 0.04 0.04 0.10 0.00 0.34 0.00 0.00 59.36 59.88 1wlo h GLU 27 Cb 0.32 0.12 -0.13 0.00 -0.10 0.00 0.00 28.75 28.96 1wlo h GLU 27 CO 0.00 -0.34 -0.52 1.88 -1.16 0.00 0.00 179.01 178.87 1wlo h TYR 28 N -0.54 -1.61 -0.96 4.33 -1.99 -0.32 1.52 116.97 117.41 1wlo h TYR 28 Ca 0.06 0.11 0.21 0.00 2.00 0.00 0.00 58.73 61.12 1wlo h TYR 28 Cb 0.64 0.82 -0.08 0.00 2.00 0.00 0.00 36.73 40.12 1wlo h TYR 28 CO -0.46 -0.40 0.62 0.00 -0.00 0.00 0.00 178.16 177.92 1wlo h ALA 29 N 0.69 2.10 0.00 3.88 0.00 -1.28 1.52 119.26 126.16 1wlo h ALA 29 Ca 0.20 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 1wlo h ALA 29 Cb 0.49 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1wlo h ALA 29 CO -0.89 -0.43 -0.24 0.00 0.00 0.00 0.00 179.25 177.69 1wlo h ALA 30 N 1.62 1.15 -0.81 0.00 0.00 0.29 -2.03 119.26 119.48 1wlo h ALA 30 Ca 0.52 -0.22 -0.42 0.00 0.00 0.00 0.00 54.91 54.79 1wlo h ALA 30 Cb 1.19 -0.04 -0.25 0.00 0.00 0.00 0.00 17.79 18.69 1wlo h ALA 30 CO -0.24 0.30 0.54 1.63 0.00 0.00 0.00 179.25 181.48 1wlo n LYS 31 N -3.59 2.02 -4.00 0.00 4.01 0.52 -4.76 118.16 112.35 1wlo n LYS 31 Ca -0.01 -2.44 -0.31 0.00 -0.51 0.00 0.00 58.31 55.04 1wlo n LYS 31 Cb 0.38 -1.95 -0.15 0.00 -0.51 0.00 0.00 35.03 32.80 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 -2.70 2.36 0.69 -0.18 1.01 -0.76 -4.99 120.40 115.83 1wlo s VAL 32 Ca 0.46 -2.32 -0.11 0.00 0.00 0.00 0.00 61.98 60.01 1wlo s VAL 32 Cb 0.39 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 34.04 1wlo s VAL 32 CO 0.09 -0.61 1.06 -2.16 0.00 0.00 0.00 175.10 173.48 1wlo s PRO 33 N 0.92 2.97 0.61 2.72 0.04 -1.26 -5.03 135.00 135.97 1wlo s PRO 33 Ca 0.11 0.97 -0.14 0.00 0.04 0.00 0.00 61.00 61.97 1wlo s PRO 33 Cb -0.19 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 1wlo s PRO 33 CO -0.08 -1.08 1.05 -1.25 0.04 0.00 0.00 177.00 175.69 1wlo s PRO 34 N -4.99 3.28 0.65 0.56 0.04 -1.26 -4.65 135.00 128.64 1wlo s PRO 34 Ca 0.58 1.11 -0.13 0.00 0.04 0.00 0.00 61.00 62.61 1wlo s PRO 34 Cb -0.14 -2.03 -0.01 0.00 0.04 0.00 0.00 34.50 32.36 1wlo s PRO 34 CO 0.54 -0.84 1.06 -1.25 0.04 0.00 0.00 177.00 176.55 1wlo s PRO 35 N -4.34 3.10 0.68 0.56 0.04 -1.26 -4.98 135.00 128.80 1wlo s PRO 35 Ca 0.62 1.04 -0.11 0.00 0.04 0.00 0.00 61.00 62.58 1wlo s PRO 35 Cb -0.15 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1wlo s PRO 35 CO 0.41 -0.97 1.06 -1.25 0.04 0.00 0.00 177.00 176.29 1wlo s PRO 36 N -4.69 3.00 0.01 0.56 0.04 -1.26 -5.00 135.00 127.67 1wlo s PRO 36 Ca 0.60 0.98 -0.30 0.00 0.04 0.00 0.00 61.00 62.32 1wlo s PRO 36 Cb -0.14 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 1wlo s PRO 36 CO 0.48 -1.05 1.19 -1.25 0.04 0.00 0.00 177.00 176.41 1wlo s PRO 37 N -4.92 4.40 0.00 0.56 0.04 -1.26 -3.12 135.00 130.71 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 -3.45 0.00 0.00 0.04 0.00 0.00 34.50 30.95 1wlo s PRO 37 CO 0.52 -0.33 0.00 0.41 0.04 0.00 0.00 177.00 177.65 1wlo n GLY 38 N 3.27 1.81 3.72 0.56 0.00 -1.26 -5.06 105.19 108.22 1wlo n GLY 38 Ca 0.10 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.29 2.62 -0.29 1.61 1.01 -1.18 -4.97 120.40 117.91 1wlo s VAL 39 Ca 0.00 0.42 -0.13 0.00 0.00 0.00 0.00 61.98 62.28 1wlo s VAL 39 Cb 0.00 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 1wlo s VAL 39 CO 0.00 0.03 0.27 -0.70 0.00 0.00 0.00 175.10 174.70 1wlo s GLU 40 N 1.27 3.86 0.01 2.72 2.12 -1.26 -4.96 118.70 122.46 1wlo s GLU 40 Ca 0.71 -0.27 -0.00 0.00 0.36 0.00 0.00 54.97 55.76 1wlo s GLU 40 Cb -0.44 -3.70 -0.04 0.00 0.26 0.00 0.00 34.13 30.22 1wlo s GLU 40 CO 0.31 -0.29 0.11 -0.51 -0.54 0.00 0.00 175.26 174.34 1wlo s LEU 41 N 1.88 3.99 -0.26 2.70 1.02 -1.26 -4.84 118.68 121.91 1wlo s LEU 41 Ca 0.10 0.16 -0.09 0.00 0.02 0.00 0.00 54.13 54.32 1wlo s LEU 41 Cb -0.16 -2.41 -0.04 0.00 0.02 0.00 0.00 46.19 43.60 1wlo s LEU 41 CO 0.11 0.25 0.11 -0.70 0.02 0.00 0.00 176.35 176.14 1wlo s GLU 42 N -1.92 3.78 0.56 1.70 2.12 -0.53 -4.80 118.70 119.61 1wlo s GLU 42 Ca 0.25 -0.41 -0.20 0.00 0.36 0.00 0.00 54.97 54.97 1wlo s GLU 42 Cb -0.12 -3.44 -0.05 0.00 0.26 0.00 0.00 34.13 30.77 1wlo s GLU 42 CO 0.17 -0.16 1.12 -2.13 -0.54 0.00 0.00 175.26 173.72 1wlo n ARG 43 N 4.89 1.22 -3.44 4.30 0.63 -1.26 -2.38 116.66 120.62 1wlo n ARG 43 Ca -0.15 0.46 -0.44 0.00 -0.92 0.00 0.00 57.85 56.80 1wlo n ARG 43 Cb 0.52 -2.30 -0.05 0.00 0.45 0.00 0.00 32.46 31.08 1wlo n ARG 43 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1wlo s VAL 44 N -1.40 4.99 0.33 5.15 1.01 0.11 -4.89 120.40 125.71 1wlo s VAL 44 Ca 0.73 -2.47 0.01 0.00 0.00 0.00 0.00 61.98 60.25 1wlo s VAL 44 Cb -0.43 -4.14 0.23 0.00 0.00 0.00 0.00 36.38 32.03 1wlo s VAL 44 CO 0.48 -0.96 1.95 0.45 0.00 0.00 0.00 175.10 177.03 1wlo h HIS 45 N 7.72 0.79 -0.15 5.22 3.86 -1.89 -0.76 115.15 129.93 1wlo h HIS 45 Ca 0.02 -0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.26 1wlo h HIS 45 Cb 1.02 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 29.23 1wlo h HIS 45 CO 0.90 0.56 0.48 1.49 0.86 0.00 0.00 177.93 182.22 1wlo h GLU 46 N 0.82 0.00 -6.18 2.45 4.57 -1.90 -3.39 114.58 110.94 1wlo h GLU 46 Ca 0.21 0.00 -0.52 0.00 -1.18 0.00 0.00 59.36 57.87 1wlo h GLU 46 Cb 0.03 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.58 1wlo h GLU 46 CO -0.03 0.00 -0.51 0.00 -1.18 0.00 0.00 179.01 177.28 1wlo n GLN 48 N -0.97 0.00 -1.23 0.00 6.02 -1.26 -4.80 117.38 115.15 1wlo n GLN 48 Ca -0.08 0.41 -0.32 0.00 -0.01 0.00 0.00 57.00 56.99 1wlo n GLN 48 Cb 0.57 -1.29 0.11 0.00 1.02 0.00 0.00 30.24 30.64 1wlo n GLN 48 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1wlo s THR 49 N -2.22 2.58 -1.21 5.09 -4.23 -1.26 -4.86 115.64 109.54 1wlo s THR 49 Ca 0.00 0.23 -0.20 0.00 -1.18 0.00 0.00 61.69 60.55 1wlo s THR 49 Cb 0.00 -2.62 -0.02 0.00 1.34 0.00 0.00 72.50 71.20 1wlo s THR 49 CO 0.00 -0.20 1.89 -0.81 -0.54 0.00 0.00 174.62 174.96 1wlo n PRO 50 N -3.29 2.34 -3.12 3.99 -0.04 -1.26 -4.77 135.00 128.85 1wlo n PRO 50 Ca 0.12 -2.71 -0.44 0.00 -0.04 0.00 0.00 63.50 60.43 1wlo n PRO 50 Cb 0.52 -3.48 -0.06 0.00 -0.04 0.00 0.00 33.50 30.43 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 6.74 3.02 0.11 0.54 5.36 -1.26 -4.48 117.98 128.01 1wlo s PHE 51 Ca 0.59 -0.49 -0.17 0.00 -0.96 0.00 0.00 56.93 55.90 1wlo s PHE 51 Cb 0.05 -3.61 -0.07 0.00 -0.34 0.00 0.00 43.02 39.05 1wlo s PHE 51 CO 0.09 -1.08 0.55 -0.06 -1.46 0.00 0.00 175.22 173.26 1wlo s PHE 52 N 2.77 3.70 0.14 10.12 0.08 -0.90 -0.71 117.98 133.19 1wlo s PHE 52 Ca 0.17 1.15 0.01 0.00 0.12 0.00 0.00 56.93 58.38 1wlo s PHE 52 Cb -0.19 -2.42 -0.04 0.00 -0.57 0.00 0.00 43.02 39.80 1wlo s PHE 52 CO 0.12 0.51 -0.01 0.14 -0.10 0.00 0.00 175.22 175.89 1wlo s VAL 53 N -1.29 0.56 -0.29 -0.44 -7.23 -1.00 -1.59 120.40 109.12 1wlo s VAL 53 Ca 0.33 -1.95 -0.14 0.00 -1.81 0.00 0.00 61.98 58.42 1wlo s VAL 53 Cb -0.17 -1.96 0.12 0.00 0.56 0.00 0.00 36.38 34.92 1wlo s VAL 53 CO 0.19 -0.60 0.74 -2.28 -0.31 0.00 0.00 175.10 172.83 1wlo s HIS 54 N -3.73 -1.08 -0.11 2.82 5.04 -0.53 -1.46 115.29 116.24 1wlo s HIS 54 Ca 0.20 2.00 0.03 0.00 -1.54 0.00 0.00 55.06 55.74 1wlo s HIS 54 Cb 0.06 0.65 -0.00 0.00 0.04 0.00 0.00 32.58 33.32 1wlo s HIS 54 CO 0.01 -0.53 -0.21 0.00 -2.34 0.00 0.00 174.74 171.66 1wlo s ALA 55 N 2.18 2.29 0.29 1.58 0.00 -1.26 -1.96 121.76 124.89 1wlo s ALA 55 Ca -0.08 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 50.95 1wlo s ALA 55 Cb -0.08 -0.94 -0.04 0.00 0.00 0.00 0.00 23.12 22.07 1wlo s ALA 55 CO -0.19 0.23 0.17 -0.51 0.00 0.00 0.00 175.76 175.47 1wlo s ASP 56 N 0.41 1.37 -0.30 0.00 1.11 -0.48 -4.26 116.67 114.52 1wlo s ASP 56 Ca -0.15 -1.56 0.01 0.00 0.18 0.00 0.00 52.55 51.03 1wlo s ASP 56 Cb -0.17 0.41 0.09 0.00 1.07 0.00 0.00 42.92 44.32 1wlo s ASP 56 CO 0.07 -0.90 0.05 -0.69 1.18 0.00 0.00 175.17 174.87 1wlo s VAL 57 N -3.66 1.52 -0.55 -1.27 1.01 -1.26 0.19 120.40 116.38 1wlo s VAL 57 Ca 0.37 -1.69 -0.18 0.00 0.00 0.00 0.00 61.98 60.48 1wlo s VAL 57 Cb 0.05 -2.05 0.09 0.00 0.00 0.00 0.00 36.38 34.47 1wlo s VAL 57 CO 0.18 -0.52 0.62 -0.70 0.00 0.00 0.00 175.10 174.68 1wlo s GLU 58 N 1.32 3.05 0.73 2.72 -6.30 0.12 -4.79 118.70 115.55 1wlo s GLU 58 Ca 0.07 -1.28 0.00 0.00 -2.50 0.00 0.00 54.97 51.26 1wlo s GLU 58 Cb -0.18 -4.21 0.00 0.00 0.00 0.00 0.00 34.13 29.73 1wlo s GLU 58 CO -0.15 -1.37 0.00 0.41 0.02 0.00 0.00 175.26 174.17 1wlo n GLY 59 N 5.24 2.21 0.16 -1.50 0.00 -1.26 -2.42 105.19 107.61 1wlo n GLY 59 Ca -0.10 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.27 3.39 -0.02 0.00 -1.26 -5.10 105.19 100.93 1wlo n GLY 60 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1wlo n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wlo s LYS 61 N 0.00 1.45 -0.19 1.61 1.02 -1.02 -4.68 119.74 117.93 1wlo s LYS 61 Ca 0.00 -1.66 -0.15 0.00 0.02 0.00 0.00 55.97 54.19 1wlo s LYS 61 Cb 0.00 -1.32 -0.04 0.00 -0.52 0.00 0.00 37.83 35.95 1wlo s LYS 61 CO 0.00 0.22 0.34 0.14 -0.92 0.00 0.00 175.35 175.13 1wlo s VAL 62 N -2.84 5.25 -0.24 3.17 -7.23 -0.36 0.15 120.40 118.31 1wlo s VAL 62 Ca 0.25 0.60 -0.20 0.00 -1.81 0.00 0.00 61.98 60.81 1wlo s VAL 62 Cb -0.02 -3.67 -0.02 0.00 0.56 0.00 0.00 36.38 33.23 1wlo s VAL 62 CO 0.10 0.30 0.63 -0.13 -0.31 0.00 0.00 175.10 175.69 1wlo s ARG 63 N 1.04 4.14 -0.13 4.82 1.81 0.52 -3.34 118.95 127.80 1wlo s ARG 63 Ca 0.17 0.56 -0.06 0.00 -1.72 0.00 0.00 55.73 54.68 1wlo s ARG 63 Cb -0.14 -3.63 -0.04 0.00 -0.45 0.00 0.00 34.95 30.69 1wlo s ARG 63 CO 0.06 -0.36 0.10 -0.51 -0.68 0.00 0.00 175.30 173.91 1wlo s LEU 64 N 2.31 4.11 -0.13 2.53 1.02 -1.26 -1.39 118.68 125.87 1wlo s LEU 64 Ca 0.27 0.31 -0.05 0.00 0.02 0.00 0.00 54.13 54.68 1wlo s LEU 64 Cb -0.16 -2.00 0.07 0.00 0.02 0.00 0.00 46.19 44.12 1wlo s LEU 64 CO 0.09 0.34 0.27 -0.31 0.02 0.00 0.00 176.35 176.76 1wlo s TYR 65 N -0.64 -0.44 0.05 0.29 2.02 -0.83 -5.01 117.35 112.79 1wlo s TYR 65 Ca 0.12 0.98 0.07 0.00 -0.37 0.00 0.00 57.07 57.88 1wlo s TYR 65 Cb -0.12 -0.03 -0.03 0.00 -0.40 0.00 0.00 41.96 41.39 1wlo s TYR 65 CO 0.02 -0.37 -0.21 -0.06 -1.57 0.00 0.00 175.55 173.37 1wlo s PHE 66 N 2.43 1.82 -0.12 2.71 0.08 -1.26 -1.46 117.98 122.18 1wlo s PHE 66 Ca 0.01 -0.38 -0.03 0.00 0.12 0.00 0.00 56.93 56.65 1wlo s PHE 66 Cb -0.12 -1.08 0.05 0.00 -0.57 0.00 0.00 43.02 41.30 1wlo s PHE 66 CO -0.09 0.10 0.06 -1.58 -0.10 0.00 0.00 175.22 173.62 1wlo s HIS 67 N -0.83 0.33 -0.17 0.36 5.65 -0.62 -4.13 115.29 115.88 1wlo s HIS 67 Ca 0.07 -0.21 0.00 0.00 0.25 0.00 0.00 55.06 55.18 1wlo s HIS 67 Cb -0.09 -0.69 0.04 0.00 -1.18 0.00 0.00 32.58 30.65 1wlo s HIS 67 CO 0.02 -0.41 -0.10 0.08 -0.65 0.00 0.00 174.74 173.68 1wlo s VAL 68 N 2.09 1.46 -0.04 0.89 1.01 -1.26 -2.12 120.40 122.43 1wlo s VAL 68 Ca 0.03 -0.76 -0.06 0.00 0.00 0.00 0.00 61.98 61.18 1wlo s VAL 68 Cb -0.15 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 1wlo s VAL 68 CO -0.07 0.26 0.34 1.55 0.00 0.00 0.00 175.10 177.18 1wlo h PRO 69 N 8.04 -0.21 -0.12 2.72 0.13 -2.00 -3.23 132.00 137.34 1wlo h PRO 69 Ca -0.30 0.01 0.03 0.00 -0.87 0.00 0.00 66.00 64.88 1wlo h PRO 69 Cb 1.11 0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 1wlo h PRO 69 CO 0.47 -0.14 0.42 -0.44 -0.23 0.00 0.00 178.00 178.08 1wlo h ASP 70 N -0.69 0.00 -1.35 1.44 5.19 -1.96 -3.44 116.42 115.61 1wlo h ASP 70 Ca -0.02 0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 56.11 1wlo h ASP 70 Cb 0.17 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.62 1wlo h ASP 70 CO 0.04 0.00 -0.31 -0.62 -3.12 0.00 0.00 179.24 175.23 1wlo n GLU 71 N -3.07 -1.03 -1.60 3.56 1.02 -1.22 -4.88 120.64 113.43 1wlo n GLU 71 Ca 0.01 0.81 -0.60 0.00 -0.02 0.00 0.00 57.16 57.36 1wlo n GLU 71 Cb 0.50 -4.99 -0.08 0.00 -0.02 0.00 0.00 31.44 26.85 1wlo n GLU 71 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wlo n ALA 72 N -0.32 -2.17 0.70 0.62 0.00 -1.26 -4.79 120.51 113.29 1wlo n ALA 72 Ca -0.15 0.53 0.11 0.00 0.00 0.00 0.00 53.44 53.93 1wlo n ALA 72 Cb 0.54 -1.91 0.46 0.00 0.00 0.00 0.00 19.45 18.54 1wlo n ALA 72 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1wlo n PRO 73 N 2.76 0.05 -0.05 0.00 -0.04 -1.26 -0.30 135.00 136.16 1wlo n PRO 73 Ca 0.23 0.17 -0.06 0.00 -0.04 0.00 0.00 63.50 63.81 1wlo n PRO 73 Cb 0.07 -1.58 -0.14 0.00 -0.04 0.00 0.00 33.50 31.81 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 -1.68 1.25 -0.04 0.52 -2.24 -1.26 -3.15 114.28 107.68 1wlo n THR 74 Ca 0.05 -0.78 -0.21 0.00 -2.27 0.00 0.00 64.05 60.84 1wlo n THR 74 Cb 0.27 -0.59 -0.13 0.00 -2.10 0.00 0.00 70.33 67.79 1wlo n THR 74 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 1wlo h VAL 75 N 0.00 0.96 -0.00 2.28 -1.51 -1.87 -3.33 116.25 112.77 1wlo h VAL 75 Ca -0.36 -2.31 -0.00 0.00 -1.23 0.00 0.00 66.70 62.80 1wlo h VAL 75 Cb 1.94 2.54 -0.00 0.00 -2.13 0.00 0.00 31.29 33.64 1wlo h VAL 75 CO 0.04 0.60 0.00 0.50 -1.23 0.00 0.00 177.57 177.48 1wlo h LYS 76 N -0.52 0.00 -0.61 5.19 3.64 -0.87 -2.79 116.57 120.61 1wlo h LYS 76 Ca -0.32 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.11 1wlo h LYS 76 Cb 1.60 -0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 33.35 1wlo h LYS 76 CO -0.04 0.17 -0.36 0.00 -2.27 0.00 0.00 179.45 176.96 1wlo n ALA 77 N -2.18 -0.39 -0.19 5.00 0.00 -1.19 0.07 120.51 121.63 1wlo n ALA 77 Ca -0.07 0.52 -0.04 0.00 0.00 0.00 0.00 53.44 53.85 1wlo n ALA 77 Cb 0.11 0.08 0.03 0.00 0.00 0.00 0.00 19.45 19.67 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 -0.65 -1.05 0.00 3.57 -1.65 0.62 116.94 117.77 1wlo h PHE 78 Ca 0.10 0.06 0.28 0.00 3.53 0.00 0.00 57.97 61.94 1wlo h PHE 78 Cb 0.25 0.37 -0.11 0.00 2.79 0.00 0.00 35.95 39.25 1wlo h PHE 78 CO -0.94 -0.33 0.65 0.00 -2.23 0.00 0.00 178.31 175.45 1wlo h ALA 79 N 1.23 2.10 0.00 2.41 0.00 -0.09 1.60 119.26 126.51 1wlo h ALA 79 Ca 0.25 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 55.15 1wlo h ALA 79 Cb 0.51 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1wlo h ALA 79 CO -0.64 -0.58 -0.53 0.78 0.00 0.00 0.00 179.25 178.29 1wlo h GLY 80 N 0.42 0.00 1.79 0.00 0.00 0.22 -2.36 103.07 103.14 1wlo h GLY 80 Ca 0.65 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.76 1wlo h GLY 80 CO -0.40 0.00 -0.97 -2.00 0.00 0.00 0.00 176.54 173.17 1wlo h LEU 81 N 0.00 0.24 -0.03 3.11 5.85 0.42 -0.22 115.31 124.68 1wlo h LEU 81 Ca -0.01 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 1wlo h LEU 81 Cb 1.22 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.17 1wlo h LEU 81 CO 0.07 1.08 -0.03 -0.07 -0.34 0.00 0.00 178.44 179.15 1wlo h LEU 82 N 0.08 0.08 -0.27 2.25 3.38 0.25 -2.90 115.31 118.18 1wlo h LEU 82 Ca -0.06 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1wlo h LEU 82 Cb 1.65 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.38 1wlo h LEU 82 CO 0.15 0.55 0.00 -2.11 0.09 0.00 0.00 178.44 177.12 1wlo n ARG 83 N -4.79 0.16 -0.31 1.13 1.85 -0.90 -2.81 116.66 111.00 1wlo n ARG 83 Ca -0.08 0.27 -0.03 0.00 -1.00 0.00 0.00 57.85 57.01 1wlo n ARG 83 Cb 0.27 -1.75 0.08 0.00 -1.05 0.00 0.00 32.46 30.02 1wlo n ARG 83 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 1wlo h GLU 84 N 0.00 1.08 -1.17 2.89 4.39 -0.81 -2.43 114.58 118.54 1wlo h GLU 84 Ca 0.00 -0.07 -0.46 0.00 0.34 0.00 0.00 59.36 59.18 1wlo h GLU 84 Cb 0.49 -0.24 -0.41 0.00 -0.10 0.00 0.00 28.75 28.49 1wlo h GLU 84 CO 0.00 0.72 -0.99 0.41 -1.16 0.00 0.00 179.01 177.99 1wlo n GLY 85 N -1.33 3.59 0.76 -3.84 0.00 -1.18 -4.72 105.19 98.46 1wlo n GLY 85 Ca 0.09 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.17 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 -4.68 0.99 4.77 -1.12 -4.01 117.00 112.65 1wlo n LEU 86 Ca 0.23 0.00 -0.57 0.00 -0.03 0.00 0.00 56.01 55.64 1wlo n LEU 86 Cb 0.76 0.14 -0.07 0.00 -2.33 0.00 0.00 43.42 41.92 1wlo n LEU 86 CO 0.29 -0.19 1.38 1.21 -1.33 0.00 0.00 177.39 178.75 1wlo n GLU 87 N -1.88 1.20 0.00 3.23 2.13 -0.92 0.20 120.64 124.60 1wlo n GLU 87 Ca 0.00 0.43 0.00 0.00 0.66 0.00 0.00 57.16 58.25 1wlo n GLU 87 Cb 0.00 -2.16 0.00 0.00 0.27 0.00 0.00 31.44 29.55 1wlo n GLU 87 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1wlo n GLY 88 N 4.45 3.13 3.45 8.31 0.00 -1.21 -5.01 105.19 118.31 1wlo n GLY 88 Ca 0.28 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.40 -1.97 0.44 1.61 0.41 0.53 -4.39 118.70 114.93 1wlo s GLU 89 Ca 0.00 0.12 -0.06 0.00 -0.41 0.00 0.00 54.97 54.62 1wlo s GLU 89 Cb 0.00 -1.49 -0.04 0.00 -1.78 0.00 0.00 34.13 30.82 1wlo s GLU 89 CO 0.00 -4.24 0.74 -1.54 -0.49 0.00 0.00 175.26 169.73 1wlo s SER 90 N -3.42 6.33 0.14 -0.19 1.04 -1.26 -1.22 113.70 115.13 1wlo s SER 90 Ca 0.69 0.90 0.24 0.00 0.48 0.00 0.00 55.95 58.26 1wlo s SER 90 Cb -0.13 -2.23 0.91 0.00 0.10 0.00 0.00 66.02 64.67 1wlo s SER 90 CO 0.58 -0.48 1.73 -0.81 0.98 0.00 0.00 173.24 175.23 1wlo n PRO 91 N -1.91 0.14 0.04 4.02 -0.04 -1.26 -1.51 135.00 134.48 1wlo n PRO 91 Ca 0.00 0.24 -0.14 0.00 -0.04 0.00 0.00 63.50 63.57 1wlo n PRO 91 Cb 0.55 -1.70 -0.14 0.00 -0.04 0.00 0.00 33.50 32.17 1wlo n PRO 91 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1wlo h GLU 92 N 0.00 0.16 0.12 0.54 4.39 -1.98 -2.66 114.58 115.15 1wlo h GLU 92 Ca 0.00 -0.27 -0.29 0.00 0.34 0.00 0.00 59.36 59.14 1wlo h GLU 92 Cb 0.48 0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1wlo h GLU 92 CO 0.00 0.98 -1.36 0.00 -1.16 0.00 0.00 179.01 177.47 1wlo h ALA 93 N 0.65 0.18 -0.09 3.43 0.00 -1.92 -3.01 119.26 118.51 1wlo h ALA 93 Ca -0.22 -0.99 -0.02 0.00 0.00 0.00 0.00 54.91 53.69 1wlo h ALA 93 Cb 1.98 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.88 1wlo h ALA 93 CO 0.14 1.06 -0.00 -0.39 0.00 0.00 0.00 179.25 180.05 1wlo h VAL 94 N 0.07 1.26 -0.79 0.00 -1.51 -1.39 -2.71 116.25 111.17 1wlo h VAL 94 Ca -0.18 -0.81 0.09 0.00 -1.23 0.00 0.00 66.70 64.57 1wlo h VAL 94 Cb 1.99 1.62 -0.05 0.00 -2.13 0.00 0.00 31.29 32.71 1wlo h VAL 94 CO 0.18 0.23 0.52 -0.07 -1.23 0.00 0.00 177.57 177.20 1wlo h LEU 95 N -0.12 0.68 -0.37 4.19 3.38 -1.58 0.55 115.31 122.05 1wlo h LEU 95 Ca 0.03 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1wlo h LEU 95 Cb 0.36 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1wlo h LEU 95 CO 0.01 0.41 0.00 -0.62 0.09 0.00 0.00 178.44 178.33 1wlo n GLU 96 N -4.50 0.05 -2.40 1.13 -0.58 -1.03 -4.58 120.64 108.73 1wlo n GLU 96 Ca 0.13 0.47 -0.43 0.00 -0.42 0.00 0.00 57.16 56.92 1wlo n GLU 96 Cb 0.30 -1.63 -0.02 0.00 -0.57 0.00 0.00 31.44 29.52 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 -3.15 4.24 0.70 2.62 1.01 0.19 -4.21 120.40 121.80 1wlo s VAL 97 Ca 0.01 1.50 -0.11 0.00 0.00 0.00 0.00 61.98 63.38 1wlo s VAL 97 Cb 0.04 -3.97 0.01 0.00 0.00 0.00 0.00 36.38 32.46 1wlo s VAL 97 CO 0.13 -0.12 1.06 -2.16 0.00 0.00 0.00 175.10 174.01 1wlo s PRO 98 N 3.45 2.90 0.00 2.72 0.04 -1.26 -4.92 135.00 137.93 1wlo s PRO 98 Ca 0.56 0.94 0.22 0.00 0.04 0.00 0.00 61.00 62.76 1wlo s PRO 98 Cb -0.23 -1.99 1.28 0.00 0.04 0.00 0.00 34.50 33.61 1wlo s PRO 98 CO 0.16 -1.12 1.69 -0.35 0.04 0.00 0.00 177.00 177.42 1wlo n PRO 99 N -3.14 0.75 -0.58 0.56 -0.04 -1.26 -2.45 135.00 128.84 1wlo n PRO 99 Ca 0.07 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.57 1wlo n PRO 99 Cb 0.54 -1.45 0.06 0.00 -0.04 0.00 0.00 33.50 32.61 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 0.47 2.23 0.45 0.55 0.00 -1.26 -4.64 105.19 102.99 1wlo n GLY 100 Ca 0.16 -0.59 0.26 0.00 0.00 0.00 0.00 46.02 45.86 1wlo n GLY 100 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1wlo h PHE 101 N 0.28 0.20 0.00 1.61 -5.15 -1.86 0.94 116.94 112.96 1wlo h PHE 101 Ca -0.04 0.01 -0.07 0.00 -0.20 0.00 0.00 57.97 57.66 1wlo h PHE 101 Cb 1.34 -0.06 -0.01 0.00 0.22 0.00 0.00 35.95 37.44 1wlo h PHE 101 CO 0.16 0.04 -0.34 0.10 -2.00 0.00 0.00 178.31 176.27 1wlo h TYR 102 N 0.14 0.00 -2.94 6.09 -0.00 -1.88 -3.45 116.97 114.93 1wlo h TYR 102 Ca 0.47 0.00 -0.59 0.00 0.00 0.00 0.00 58.73 58.61 1wlo h TYR 102 Cb 1.61 0.00 0.14 0.00 0.00 0.00 0.00 36.73 38.48 1wlo h TYR 102 CO -0.00 0.34 -0.05 0.54 -0.00 0.00 0.00 178.16 178.98 1wlo n ARG 103 N -3.49 0.98 -2.96 0.10 1.74 0.32 -3.78 116.66 109.57 1wlo n ARG 103 Ca -0.00 0.36 -0.13 0.00 -0.77 0.00 0.00 57.85 57.31 1wlo n ARG 103 Cb 0.49 -1.88 0.01 0.00 -1.02 0.00 0.00 32.46 30.07 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 1.42 -1.09 0.08 -0.13 0.00 -1.26 -4.89 105.19 99.33 1wlo n GLY 104 Ca 0.11 1.24 0.00 0.00 0.00 0.00 0.00 46.02 47.37 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 -0.27 -0.11 0.00 1.61 4.01 -1.25 -5.02 117.16 116.14 1wlo n TYR 105 Ca 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 1wlo n TYR 105 Cb 0.49 0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.55 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 -0.83 2.62 0.39 2.72 0.00 -1.26 -4.26 105.19 104.58 1wlo n GLY 106 Ca 0.00 -0.32 0.19 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.31 0.99 3.38 -1.96 0.86 115.31 118.26 1wlo h LEU 107 Ca 0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 1wlo h LEU 107 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1wlo h LEU 107 CO 0.00 0.00 -0.52 -0.08 0.09 0.00 0.00 178.44 177.93 1wlo h GLU 108 N 0.00 0.89 -0.00 1.13 4.81 -1.84 0.55 114.58 120.12 1wlo h GLU 108 Ca 0.18 -0.55 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1wlo h GLU 108 Cb 1.27 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.71 1wlo h GLU 108 CO -0.00 1.19 -0.16 -0.85 -0.73 0.00 0.00 179.01 178.46 1wlo n GLU 109 N -4.01 0.02 -0.05 1.92 -0.00 0.28 -4.14 120.64 114.65 1wlo n GLU 109 Ca -0.04 -0.00 -0.03 0.00 -0.00 0.00 0.00 57.16 57.08 1wlo n GLU 109 Cb 0.62 -1.50 -0.01 0.00 -0.00 0.00 0.00 31.44 30.55 1wlo n GLU 109 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 1wlo n PHE 110 N -1.49 0.52 -2.90 -1.84 3.72 0.02 -4.91 117.46 110.58 1wlo n PHE 110 Ca 0.07 0.23 -0.41 0.00 -0.05 0.00 0.00 57.45 57.29 1wlo n PHE 110 Cb 0.34 -0.55 -0.04 0.00 -0.94 0.00 0.00 39.48 38.29 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 -1.83 3.63 0.85 1.38 0.08 0.16 -5.03 117.98 117.23 1wlo s PHE 111 Ca -0.10 1.46 -0.14 0.00 0.12 0.00 0.00 56.93 58.27 1wlo s PHE 111 Cb 0.01 -2.93 0.03 0.00 -0.57 0.00 0.00 43.02 39.56 1wlo s PHE 111 CO 0.15 0.07 0.66 0.25 -0.10 0.00 0.00 175.22 176.26 1wlo n THR 112 N 3.69 0.99 1.13 0.64 -2.24 -1.26 -4.68 114.28 112.55 1wlo n THR 112 Ca 0.01 -0.25 0.11 0.00 -2.27 0.00 0.00 64.05 61.66 1wlo n THR 112 Cb 0.51 -0.80 0.59 0.00 -2.10 0.00 0.00 70.33 68.53 1wlo n THR 112 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1wlo n PRO 113 N -1.89 0.38 -0.10 -0.78 -0.04 -1.26 -1.43 135.00 129.88 1wlo n PRO 113 Ca 0.09 0.06 -0.20 0.00 -0.04 0.00 0.00 63.50 63.42 1wlo n PRO 113 Cb 0.52 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.36 1wlo n PRO 113 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1wlo h LEU 114 N 0.00 0.00 -0.39 1.53 3.38 -2.01 -3.31 115.31 114.52 1wlo h LEU 114 Ca 0.00 -0.63 -0.18 0.00 0.09 0.00 0.00 57.88 57.16 1wlo h LEU 114 Cb 0.18 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1wlo h LEU 114 CO 0.00 1.38 -0.62 0.03 0.09 0.00 0.00 178.44 179.32 1wlo h ARG 115 N -0.99 0.64 -0.77 1.13 3.08 -1.91 -3.10 114.38 112.46 1wlo h ARG 115 Ca -0.27 -0.44 0.15 0.00 0.07 0.00 0.00 59.98 59.49 1wlo h ARG 115 Cb 1.24 0.07 -0.10 0.00 0.08 0.00 0.00 29.97 31.26 1wlo h ARG 115 CO -0.16 1.06 0.29 -0.07 -1.07 0.00 0.00 179.97 180.02 1wlo h LEU 116 N 0.47 0.24 -1.66 3.04 3.38 -1.42 0.70 115.31 120.06 1wlo h LEU 116 Ca -0.01 0.12 0.15 0.00 0.09 0.00 0.00 57.88 58.23 1wlo h LEU 116 Cb 1.20 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 42.01 1wlo h LEU 116 CO 0.12 0.07 0.48 0.03 0.09 0.00 0.00 178.44 179.23 1wlo h ARG 117 N 0.41 0.33 0.04 1.13 3.08 -1.62 0.26 114.38 118.01 1wlo h ARG 117 Ca 0.43 -0.02 -0.26 0.00 0.07 0.00 0.00 59.98 60.20 1wlo h ARG 117 Cb 0.68 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.63 1wlo h ARG 117 CO -0.43 0.22 -1.33 0.78 -1.07 0.00 0.00 179.97 178.13 1wlo h GLY 118 N 0.34 0.10 1.40 0.04 0.00 0.38 -3.27 103.07 102.05 1wlo h GLY 118 Ca 0.35 -0.25 -0.10 0.00 0.00 0.00 0.00 47.33 47.32 1wlo h GLY 118 CO -0.09 0.22 -0.18 1.41 0.00 0.00 0.00 176.54 177.89 1wlo h LEU 119 N 0.02 0.70 -0.08 3.11 3.38 0.18 -2.96 115.31 119.67 1wlo h LEU 119 Ca -0.15 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.60 1wlo h LEU 119 Cb 1.91 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.45 1wlo h LEU 119 CO 0.13 0.89 -0.02 -0.33 0.09 0.00 0.00 178.44 179.20 1wlo h GLU 120 N 0.62 0.01 -0.99 1.13 5.08 -0.67 -1.54 114.58 118.21 1wlo h GLU 120 Ca 0.10 -0.00 0.21 0.00 -1.00 0.00 0.00 59.36 58.66 1wlo h GLU 120 Cb 0.66 -0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.81 1wlo h GLU 120 CO 0.05 0.00 0.62 0.00 -1.00 0.00 0.00 179.01 178.68 1wlo h ALA 121 N 1.07 1.86 -0.15 3.43 0.00 -1.58 -0.18 119.26 123.73 1wlo h ALA 121 Ca 0.04 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1wlo h ALA 121 Cb 0.05 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 1wlo h ALA 121 CO -0.07 -0.23 -0.44 0.00 0.00 0.00 0.00 179.25 178.50 1wlo h ALA 122 N 1.64 -0.63 0.63 0.00 0.00 -1.15 1.57 119.26 121.32 1wlo h ALA 122 Ca 0.57 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.44 1wlo h ALA 122 Cb 1.06 0.83 -0.01 0.00 0.00 0.00 0.00 17.79 19.68 1wlo h ALA 122 CO -0.34 -0.95 -0.43 1.25 0.00 0.00 0.00 179.25 178.78 1wlo h LEU 123 N -0.50 -1.11 -0.59 0.00 6.46 -0.99 0.27 115.31 118.86 1wlo h LEU 123 Ca 0.07 0.07 0.08 0.00 -0.12 0.00 0.00 57.88 57.98 1wlo h LEU 123 Cb 0.63 0.33 -0.10 0.00 -0.73 0.00 0.00 40.66 40.79 1wlo h LEU 123 CO -0.42 -0.64 -0.46 -0.07 -0.62 0.00 0.00 178.44 176.23 1wlo h LEU 124 N -1.01 -1.59 -0.09 2.25 3.38 -0.89 0.19 115.31 117.55 1wlo h LEU 124 Ca -0.08 0.25 0.01 0.00 0.09 0.00 0.00 57.88 58.15 1wlo h LEU 124 Cb 0.82 0.71 -0.02 0.00 0.09 0.00 0.00 40.66 42.26 1wlo h LEU 124 CO 0.06 -0.34 -0.15 0.03 0.09 0.00 0.00 178.44 178.13 1wlo h ARG 125 N -0.24 -0.12 -0.90 1.13 3.08 0.25 0.36 114.38 117.94 1wlo h ARG 125 Ca 0.17 0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.34 1wlo h ARG 125 Cb 0.56 0.03 -0.14 0.00 0.08 0.00 0.00 29.97 30.50 1wlo h ARG 125 CO -0.70 -0.08 -0.46 -0.07 -1.07 0.00 0.00 179.97 177.59 1wlo h LEU 126 N -0.13 -1.67 -1.36 3.04 3.38 -0.16 1.77 115.31 120.18 1wlo h LEU 126 Ca 0.02 0.30 0.21 0.00 0.09 0.00 0.00 57.88 58.50 1wlo h LEU 126 Cb 0.17 0.80 -0.08 0.00 0.09 0.00 0.00 40.66 41.64 1wlo h LEU 126 CO -0.15 -0.28 0.62 1.56 0.09 0.00 0.00 178.44 180.27 1wlo h GLN 127 N -0.05 0.49 0.00 1.13 4.20 0.28 1.54 115.11 122.69 1wlo h GLN 127 Ca 0.25 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.92 1wlo h GLN 127 Cb 0.53 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.20 1wlo h GLN 127 CO -0.90 0.32 -0.04 0.00 -0.67 0.00 0.00 178.83 177.54 1wlo h ALA 128 N 1.62 1.02 0.00 3.87 0.00 0.67 -0.54 119.26 125.89 1wlo h ALA 128 Ca 0.52 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.39 1wlo h ALA 128 Cb 1.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1wlo h ALA 128 CO -0.25 0.05 -0.41 1.04 0.00 0.00 0.00 179.25 179.69 1wlo n GLN 129 N -3.17 0.06 -0.12 0.00 6.02 0.52 -3.70 117.38 116.99 1wlo n GLN 129 Ca 0.00 0.02 -0.26 0.00 -0.01 0.00 0.00 57.00 56.76 1wlo n GLN 129 Cb 0.32 -1.54 -0.11 0.00 1.02 0.00 0.00 30.24 29.93 1wlo n GLN 129 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1wlo n VAL 130 N -1.63 1.54 -0.32 5.09 0.31 -0.56 -3.70 118.33 119.06 1wlo n VAL 130 Ca 0.05 -0.27 0.17 0.00 -0.01 0.00 0.00 64.34 64.28 1wlo n VAL 130 Cb 0.36 -1.91 0.36 0.00 -0.91 0.00 0.00 33.84 31.73 1wlo n VAL 130 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1wlo h ARG 131 N -0.90 0.37 -0.12 5.55 3.08 -1.28 1.39 114.38 122.47 1wlo h ARG 131 Ca -0.55 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 59.37 1wlo h ARG 131 Cb 1.53 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.49 1wlo h ARG 131 CO -0.30 0.24 -0.42 1.57 -1.07 0.00 0.00 179.97 179.99 1wlo h LYS 132 N 0.38 0.28 -0.03 0.04 -0.00 -1.75 -2.37 116.57 113.11 1wlo h LYS 132 Ca 0.62 -0.14 -0.09 0.00 -0.00 0.00 0.00 60.65 61.04 1wlo h LYS 132 Cb 1.25 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.47 1wlo h LYS 132 CO -0.56 0.66 -0.39 0.00 -0.00 0.00 0.00 179.45 179.15 1wlo h ALA 133 N 1.33 1.29 -0.63 0.07 0.00 0.16 -2.61 119.26 118.86 1wlo h ALA 133 Ca 0.02 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1wlo h ALA 133 Cb 0.85 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1wlo h ALA 133 CO 0.07 0.52 0.30 -0.07 0.00 0.00 0.00 179.25 180.06 1wlo h LEU 134 N 0.06 0.83 0.00 0.00 3.38 -0.03 -0.12 115.31 119.42 1wlo h LEU 134 Ca 0.00 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1wlo h LEU 134 Cb 0.73 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1wlo h LEU 134 CO 0.05 0.73 0.00 1.07 0.09 0.00 0.00 178.44 180.38 1wlo n THR 135 N -4.49 0.56 1.16 0.22 5.66 -1.00 -5.12 114.28 111.26 1wlo n THR 135 Ca 0.04 0.14 0.13 0.00 -3.05 0.00 0.00 64.05 61.31 1wlo n THR 135 Cb 0.13 -0.85 0.24 0.00 -1.55 0.00 0.00 70.33 68.30 1wlo n THR 135 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82