#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 -4.38 -1.52 2.03 0.31 -1.26 -4.97 118.33 108.54 1wlo n VAL 2 Ca 0.00 1.91 -0.29 0.00 -0.01 0.00 0.00 64.34 65.94 1wlo n VAL 2 Cb 0.00 -2.65 0.18 0.00 -0.91 0.00 0.00 33.84 30.46 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 -4.26 0.33 -0.06 5.55 0.04 -1.26 -4.84 135.00 130.49 1wlo s PRO 3 Ca 0.00 -0.01 -0.13 0.00 0.04 0.00 0.00 61.00 60.90 1wlo s PRO 3 Cb 0.00 -1.77 -0.09 0.00 0.04 0.00 0.00 34.50 32.68 1wlo s PRO 3 CO 0.00 -2.69 0.51 -1.00 0.04 0.00 0.00 177.00 173.87 1wlo h PRO 4 N -1.84 -0.27 -1.67 0.56 0.13 -1.93 -0.55 132.00 126.43 1wlo h PRO 4 Ca -0.47 0.02 0.50 0.00 -0.87 0.00 0.00 66.00 65.18 1wlo h PRO 4 Cb 1.29 0.06 -0.09 0.00 0.13 0.00 0.00 31.00 32.40 1wlo h PRO 4 CO 0.47 -0.04 1.17 1.63 -0.23 0.00 0.00 178.00 181.00 1wlo n LYS 5 N -4.96 -0.01 -0.01 0.86 4.01 -1.26 0.18 118.16 116.98 1wlo n LYS 5 Ca -0.05 1.03 -0.01 0.00 -0.51 0.00 0.00 58.31 58.77 1wlo n LYS 5 Cb 0.18 -2.27 -0.00 0.00 -0.51 0.00 0.00 35.03 32.43 1wlo n LYS 5 CO 0.00 0.00 0.00 1.25 -1.11 0.00 0.00 177.40 177.54 1wlo h LEU 6 N 0.00 0.00 -1.89 -0.35 7.12 -1.69 -3.21 115.31 115.29 1wlo h LEU 6 Ca 0.84 0.00 0.52 0.00 0.13 0.00 0.00 57.88 59.37 1wlo h LEU 6 Cb 3.23 0.00 -0.08 0.00 -0.53 0.00 0.00 40.66 43.27 1wlo h LEU 6 CO -0.12 0.12 1.25 0.50 -0.13 0.00 0.00 178.44 180.06 1wlo h LYS 7 N -0.19 0.01 0.07 1.25 1.63 0.73 1.34 116.57 121.42 1wlo h LYS 7 Ca 0.00 -0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.80 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 0.01 -0.03 1.96 -3.45 0.00 0.00 179.45 177.93 1wlo h GLN 8 N 0.01 -0.09 0.02 1.90 1.08 0.18 0.63 115.11 118.85 1wlo h GLN 8 Ca 0.87 0.01 0.01 0.00 -1.45 0.00 0.00 58.65 58.09 1wlo h GLN 8 Cb 3.38 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 30.81 1wlo h GLN 8 CO -0.09 0.20 -0.08 0.00 -0.95 0.00 0.00 178.83 177.91 1wlo h ALA 9 N 0.52 -0.11 0.41 3.87 0.00 0.17 0.76 119.26 124.88 1wlo h ALA 9 Ca -0.01 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1wlo h ALA 9 Cb 0.33 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1wlo h ALA 9 CO 0.02 -0.58 -0.23 -0.07 0.00 0.00 0.00 179.25 178.38 1wlo h LEU 10 N -0.15 -0.58 -0.73 0.00 3.38 -1.17 0.88 115.31 116.94 1wlo h LEU 10 Ca 0.02 0.03 0.12 0.00 0.09 0.00 0.00 57.88 58.14 1wlo h LEU 10 Cb 0.18 0.17 -0.08 0.00 0.09 0.00 0.00 40.66 41.01 1wlo h LEU 10 CO -0.07 -0.38 0.33 -0.33 0.09 0.00 0.00 178.44 178.09 1wlo h GLU 11 N -0.60 0.52 -0.36 1.13 5.08 0.52 0.12 114.58 120.98 1wlo h GLU 11 Ca -0.05 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.17 1wlo h GLU 11 Cb 0.49 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1wlo h GLU 11 CO 0.06 0.34 -0.22 1.25 -1.00 0.00 0.00 179.01 179.44 1wlo h LEU 12 N 0.53 0.71 0.42 1.33 5.85 1.00 -2.00 115.31 123.15 1wlo h LEU 12 Ca 0.38 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 1wlo h LEU 12 Cb 0.49 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1wlo h LEU 12 CO -0.33 0.92 -0.32 0.15 -0.34 0.00 0.00 178.44 178.52 1wlo h PHE 13 N 0.62 -0.88 -0.09 1.25 3.57 0.33 1.59 116.94 123.33 1wlo h PHE 13 Ca 0.09 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.61 1wlo h PHE 13 Cb 0.71 0.33 -0.00 0.00 2.79 0.00 0.00 35.95 39.77 1wlo h PHE 13 CO 0.03 -0.45 0.16 -0.22 -2.23 0.00 0.00 178.31 175.60 1wlo h LYS 14 N -0.72 0.00 0.00 1.11 3.64 -1.19 0.60 116.57 120.02 1wlo h LYS 14 Ca -0.06 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.23 1wlo h LYS 14 Cb 0.60 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 1wlo h LYS 14 CO 0.01 0.00 -0.83 1.03 -2.27 0.00 0.00 179.45 177.40 1wlo h SER 15 N 0.00 0.00 -4.33 4.20 0.87 -0.47 -3.46 113.55 110.36 1wlo h SER 15 Ca 0.04 0.00 -0.50 0.00 -1.23 0.00 0.00 61.79 60.10 1wlo h SER 15 Cb 0.37 0.00 0.10 0.00 -0.44 0.00 0.00 62.40 62.42 1wlo h SER 15 CO -0.00 0.40 0.36 -0.76 -0.53 0.00 0.00 176.83 176.30 1wlo s LEU 16 N -6.04 2.95 0.28 2.23 1.43 0.53 -5.01 118.68 115.05 1wlo s LEU 16 Ca 0.01 1.49 -0.29 0.00 -1.03 0.00 0.00 54.13 54.31 1wlo s LEU 16 Cb 0.08 -4.28 -0.09 0.00 0.03 0.00 0.00 46.19 41.92 1wlo s LEU 16 CO 0.77 -1.59 1.08 -2.16 0.23 0.00 0.00 176.35 174.68 1wlo s PRO 17 N -5.10 4.65 0.02 1.29 0.04 -1.26 -4.68 135.00 129.96 1wlo s PRO 17 Ca 0.59 1.76 -0.04 0.00 0.04 0.00 0.00 61.00 63.35 1wlo s PRO 17 Cb -0.14 -3.18 -0.01 0.00 0.04 0.00 0.00 34.50 31.21 1wlo s PRO 17 CO 0.55 0.24 0.88 1.17 0.04 0.00 0.00 177.00 179.87 1wlo n LYS 18 N 1.19 -0.05 -0.24 4.56 4.81 -1.26 0.17 118.16 127.34 1wlo n LYS 18 Ca -0.01 0.87 0.06 0.00 -0.87 0.00 0.00 58.31 58.37 1wlo n LYS 18 Cb 0.45 -1.30 0.13 0.00 0.02 0.00 0.00 35.03 34.33 1wlo n LYS 18 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1wlo n GLU 19 N -3.13 -0.06 -0.03 1.64 4.07 -1.26 0.20 120.64 122.07 1wlo n GLU 19 Ca 0.00 1.03 -0.14 0.00 -0.06 0.00 0.00 57.16 57.99 1wlo n GLU 19 Cb 0.03 -1.57 -0.10 0.00 -0.06 0.00 0.00 31.44 29.74 1wlo n GLU 19 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 1wlo h LEU 20 N 0.00 0.11 -1.68 4.31 4.07 0.59 -2.17 115.31 120.54 1wlo h LEU 20 Ca 0.35 -0.62 0.51 0.00 0.08 0.00 0.00 57.88 58.20 1wlo h LEU 20 Cb 0.62 -0.03 -0.09 0.00 1.08 0.00 0.00 40.66 42.24 1wlo h LEU 20 CO -0.67 0.71 1.18 0.54 -1.08 0.00 0.00 178.44 179.13 1wlo n ARG 21 N -4.70 -0.01 -0.02 1.13 1.74 0.54 0.21 116.66 115.56 1wlo n ARG 21 Ca -0.09 1.03 -0.22 0.00 -0.77 0.00 0.00 57.85 57.81 1wlo n ARG 21 Cb 0.35 -2.29 -0.13 0.00 -1.02 0.00 0.00 32.46 29.37 1wlo n ARG 21 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1wlo n SER 22 N -3.96 2.08 0.11 0.55 2.88 -0.39 -3.86 113.62 111.02 1wlo n SER 22 Ca 0.40 0.24 -0.13 0.00 -1.33 0.00 0.00 58.87 58.05 1wlo n SER 22 Cb 1.75 -0.87 -0.08 0.00 -0.75 0.00 0.00 64.21 64.26 1wlo n SER 22 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1wlo h GLN 23 N -0.14 -0.21 -0.68 -1.46 1.08 0.32 -2.78 115.11 111.25 1wlo h GLN 23 Ca -0.42 0.01 0.12 0.00 -1.45 0.00 0.00 58.65 56.92 1wlo h GLN 23 Cb 1.89 0.05 -0.13 0.00 -0.05 0.00 0.00 27.48 29.24 1wlo h GLN 23 CO 0.02 -0.03 -0.31 0.28 -0.95 0.00 0.00 178.83 177.85 1wlo h VAL 24 N -0.35 0.17 -0.77 -0.54 2.07 0.13 0.73 116.25 117.68 1wlo h VAL 24 Ca -0.02 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.67 1wlo h VAL 24 Cb 0.28 0.17 -0.12 0.00 -1.52 0.00 0.00 31.29 30.10 1wlo h VAL 24 CO 0.04 0.00 0.19 -0.07 0.02 0.00 0.00 177.57 177.75 1wlo h LEU 25 N -0.10 0.01 0.88 2.57 3.38 -1.63 0.36 115.31 120.78 1wlo h LEU 25 Ca 0.28 0.16 -0.04 0.00 0.09 0.00 0.00 57.88 58.36 1wlo h LEU 25 Cb 0.56 0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.53 1wlo h LEU 25 CO -0.74 -0.06 -0.44 -0.07 0.09 0.00 0.00 178.44 177.22 1wlo h LEU 26 N 0.26 -1.04 -0.47 1.67 3.38 0.62 -2.76 115.31 116.97 1wlo h LEU 26 Ca 0.45 0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.54 1wlo h LEU 26 Cb 0.79 0.27 -0.10 0.00 0.09 0.00 0.00 40.66 41.72 1wlo h LEU 26 CO -0.54 -0.73 -0.35 -0.33 0.09 0.00 0.00 178.44 176.58 1wlo h GLU 27 N -1.20 -0.22 -0.98 1.13 5.08 0.60 0.71 114.58 119.70 1wlo h GLU 27 Ca -0.12 0.02 0.26 0.00 -1.00 0.00 0.00 59.36 58.51 1wlo h GLU 27 Cb 0.92 0.05 -0.18 0.00 0.50 0.00 0.00 28.75 30.04 1wlo h GLU 27 CO 0.19 -0.15 -0.01 1.88 -1.00 0.00 0.00 179.01 179.92 1wlo h TYR 28 N -0.23 -0.12 -0.70 4.33 -1.99 -0.23 1.53 116.97 119.56 1wlo h TYR 28 Ca 0.19 0.07 -0.00 0.00 2.00 0.00 0.00 58.73 60.99 1wlo h TYR 28 Cb 0.55 0.21 -0.03 0.00 2.00 0.00 0.00 36.73 39.46 1wlo h TYR 28 CO -0.59 -0.42 0.43 0.00 -0.00 0.00 0.00 178.16 177.58 1wlo h ALA 29 N 1.97 0.89 0.00 3.88 0.00 -0.58 0.84 119.26 126.26 1wlo h ALA 29 Ca 0.57 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.41 1wlo h ALA 29 Cb 1.13 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1wlo h ALA 29 CO -0.92 0.35 0.00 0.00 0.00 0.00 0.00 179.25 178.68 1wlo h ALA 30 N 1.23 1.00 -0.99 0.00 0.00 0.27 -0.22 119.26 120.55 1wlo h ALA 30 Ca 0.25 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.51 1wlo h ALA 30 Cb -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 17.44 1wlo h ALA 30 CO -0.05 0.00 0.81 1.63 0.00 0.00 0.00 179.25 181.64 1wlo n LYS 31 N -3.07 2.65 -3.92 0.00 4.01 0.29 -4.80 118.16 113.31 1wlo n LYS 31 Ca -0.03 -3.27 -0.30 0.00 -0.51 0.00 0.00 58.31 54.20 1wlo n LYS 31 Cb 0.09 -2.27 -0.14 0.00 -0.51 0.00 0.00 35.03 32.20 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 -4.62 2.20 0.65 -0.18 1.01 -0.10 -4.86 120.40 114.50 1wlo s VAL 32 Ca 0.64 -2.76 -0.13 0.00 0.00 0.00 0.00 61.98 59.73 1wlo s VAL 32 Cb 0.50 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 34.30 1wlo s VAL 32 CO 0.01 -0.74 1.05 -2.16 0.00 0.00 0.00 175.10 173.26 1wlo s PRO 33 N 0.33 3.14 0.61 2.72 0.04 -1.26 -5.04 135.00 135.54 1wlo s PRO 33 Ca 0.15 1.05 -0.15 0.00 0.04 0.00 0.00 61.00 62.09 1wlo s PRO 33 Cb -0.23 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.27 1wlo s PRO 33 CO -0.04 -0.94 1.05 -1.25 0.04 0.00 0.00 177.00 175.85 1wlo s PRO 34 N -4.63 3.30 0.87 0.56 0.04 -1.26 -4.66 135.00 129.22 1wlo s PRO 34 Ca 0.60 1.13 -0.12 0.00 0.04 0.00 0.00 61.00 62.65 1wlo s PRO 34 Cb -0.15 -2.03 0.11 0.00 0.04 0.00 0.00 34.50 32.47 1wlo s PRO 34 CO 0.47 -0.82 1.12 -1.25 0.04 0.00 0.00 177.00 176.57 1wlo s PRO 35 N -4.27 1.49 0.66 0.56 0.04 -1.25 -4.99 135.00 127.25 1wlo s PRO 35 Ca 0.62 0.42 -0.12 0.00 0.04 0.00 0.00 61.00 61.95 1wlo s PRO 35 Cb -0.15 -1.87 -0.01 0.00 0.04 0.00 0.00 34.50 32.51 1wlo s PRO 35 CO 0.40 -1.98 1.06 -1.25 0.04 0.00 0.00 177.00 175.27 1wlo s PRO 36 N -5.24 3.08 -0.35 0.56 0.04 -1.26 -4.97 135.00 126.85 1wlo s PRO 36 Ca 0.63 1.02 -0.29 0.00 0.04 0.00 0.00 61.00 62.40 1wlo s PRO 36 Cb -0.15 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1wlo s PRO 36 CO 0.54 -0.99 1.38 -1.25 0.04 0.00 0.00 177.00 176.71 1wlo s PRO 37 N -4.75 3.73 0.00 0.56 0.04 -1.26 -3.52 135.00 129.80 1wlo s PRO 37 Ca 0.60 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1wlo s PRO 37 Cb -0.14 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.43 1wlo s PRO 37 CO 0.49 -1.36 0.00 0.41 0.04 0.00 0.00 177.00 176.58 1wlo n GLY 38 N 4.73 3.14 3.37 0.56 0.00 -1.26 -5.10 105.19 110.63 1wlo n GLY 38 Ca 0.16 -0.69 -0.46 0.00 0.00 0.00 0.00 46.02 45.03 1wlo n GLY 38 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1wlo n VAL 39 N 0.00 1.61 -4.01 1.61 3.14 -1.23 -4.92 118.33 114.52 1wlo n VAL 39 Ca 0.00 -0.50 -0.35 0.00 -2.96 0.00 0.00 64.34 60.53 1wlo n VAL 39 Cb 0.00 0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 32.71 1wlo n VAL 39 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 1wlo s GLU 40 N -1.00 3.30 0.05 1.45 2.12 -1.26 -4.97 118.70 118.39 1wlo s GLU 40 Ca 0.63 -0.27 0.07 0.00 0.36 0.00 0.00 54.97 55.76 1wlo s GLU 40 Cb -0.85 -3.05 -0.03 0.00 0.26 0.00 0.00 34.13 30.47 1wlo s GLU 40 CO 0.58 0.73 -0.20 -0.51 -0.54 0.00 0.00 175.26 175.32 1wlo s LEU 41 N -1.27 2.18 -0.26 2.70 1.02 -1.26 -4.66 118.68 117.13 1wlo s LEU 41 Ca 0.18 -0.52 -0.11 0.00 0.02 0.00 0.00 54.13 53.70 1wlo s LEU 41 Cb -0.12 -0.91 -0.05 0.00 0.02 0.00 0.00 46.19 45.13 1wlo s LEU 41 CO 0.08 0.13 0.17 -1.61 0.02 0.00 0.00 176.35 175.14 1wlo s GLU 42 N -1.21 4.02 0.35 1.70 2.02 -0.47 -4.81 118.70 120.30 1wlo s GLU 42 Ca 0.06 -0.29 -0.29 0.00 0.02 0.00 0.00 54.97 54.48 1wlo s GLU 42 Cb -0.09 -3.59 -0.11 0.00 0.10 0.00 0.00 34.13 30.45 1wlo s GLU 42 CO 0.02 -0.03 1.53 0.50 0.02 0.00 0.00 175.26 177.29 1wlo s ARG 43 N 1.33 4.10 -0.91 1.61 3.52 -1.26 -2.76 118.95 124.58 1wlo s ARG 43 Ca 0.07 2.59 -0.20 0.00 -0.13 0.00 0.00 55.73 58.07 1wlo s ARG 43 Cb -0.14 -2.98 0.11 0.00 -1.56 0.00 0.00 34.95 30.38 1wlo s ARG 43 CO 0.07 -0.58 1.15 0.08 -0.81 0.00 0.00 175.30 175.21 1wlo s VAL 44 N -0.79 4.58 0.17 7.11 1.01 -0.55 -4.85 120.40 127.07 1wlo s VAL 44 Ca 0.56 -1.34 -0.15 0.00 0.00 0.00 0.00 61.98 61.05 1wlo s VAL 44 Cb -0.47 -4.81 0.06 0.00 0.00 0.00 0.00 36.38 31.16 1wlo s VAL 44 CO 0.59 -1.56 1.74 0.45 0.00 0.00 0.00 175.10 176.33 1wlo h HIS 45 N 9.04 0.24 -0.70 5.22 -0.00 -1.90 0.11 115.15 127.16 1wlo h HIS 45 Ca 0.12 0.02 0.20 0.00 -0.00 0.00 0.00 60.37 60.71 1wlo h HIS 45 Cb 1.03 -0.04 -0.03 0.00 -0.00 0.00 0.00 27.41 28.37 1wlo h HIS 45 CO 1.16 0.08 0.86 1.49 -0.00 0.00 0.00 177.93 181.52 1wlo h GLU 46 N 0.29 0.00 -4.66 2.45 4.57 -1.89 -3.12 114.58 112.23 1wlo h GLU 46 Ca 0.20 0.00 -0.67 0.00 -1.18 0.00 0.00 59.36 57.71 1wlo h GLU 46 Cb 0.20 0.00 -0.39 0.00 -0.16 0.00 0.00 28.75 28.40 1wlo h GLU 46 CO -0.22 0.00 -0.69 0.00 -1.18 0.00 0.00 179.01 176.92 1wlo n GLN 48 N 4.31 -0.06 -1.58 0.00 6.02 -1.18 -4.44 117.38 120.45 1wlo n GLN 48 Ca 0.03 1.24 -0.40 0.00 -0.01 0.00 0.00 57.00 57.86 1wlo n GLN 48 Cb 0.42 -2.11 0.03 0.00 1.02 0.00 0.00 30.24 29.59 1wlo n GLN 48 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1wlo n THR 49 N -5.08 2.78 -1.22 5.09 -2.24 -1.26 -4.78 114.28 107.56 1wlo n THR 49 Ca 0.28 -0.50 -0.37 0.00 -2.27 0.00 0.00 64.05 61.19 1wlo n THR 49 Cb 0.94 -1.04 -0.03 0.00 -2.10 0.00 0.00 70.33 68.10 1wlo n THR 49 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1wlo n PRO 50 N -0.23 2.43 -3.54 -0.78 -0.04 -1.26 -4.68 135.00 126.89 1wlo n PRO 50 Ca 0.11 -2.00 -0.41 0.00 -0.04 0.00 0.00 63.50 61.16 1wlo n PRO 50 Cb 0.43 -2.87 -0.09 0.00 -0.04 0.00 0.00 33.50 30.94 1wlo n PRO 50 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1wlo s PHE 51 N 3.58 3.35 0.07 0.54 5.36 -1.26 -3.95 117.98 125.66 1wlo s PHE 51 Ca 0.52 -1.55 0.00 0.00 -0.96 0.00 0.00 56.93 54.95 1wlo s PHE 51 Cb 0.14 -3.20 -0.04 0.00 -0.34 0.00 0.00 43.02 39.57 1wlo s PHE 51 CO -0.01 -0.90 0.20 -0.06 -1.46 0.00 0.00 175.22 172.99 1wlo s PHE 52 N 1.44 3.48 0.06 10.12 0.40 0.39 -1.48 117.98 132.39 1wlo s PHE 52 Ca 0.04 0.22 -0.05 0.00 -0.60 0.00 0.00 56.93 56.55 1wlo s PHE 52 Cb -0.25 -1.74 -0.02 0.00 0.51 0.00 0.00 43.02 41.52 1wlo s PHE 52 CO 0.02 0.58 0.07 0.14 0.70 0.00 0.00 175.22 176.73 1wlo s VAL 53 N -1.51 0.18 -0.14 -0.44 -7.23 -1.11 -0.35 120.40 109.80 1wlo s VAL 53 Ca 0.34 -1.46 -0.07 0.00 -1.81 0.00 0.00 61.98 58.98 1wlo s VAL 53 Cb -0.13 -1.36 0.05 0.00 0.56 0.00 0.00 36.38 35.51 1wlo s VAL 53 CO 0.27 -0.81 0.34 -2.28 -0.31 0.00 0.00 175.10 172.32 1wlo s HIS 54 N -3.70 -0.49 -0.06 2.82 5.04 0.76 -1.37 115.29 118.28 1wlo s HIS 54 Ca 0.04 1.08 0.05 0.00 -1.54 0.00 0.00 55.06 54.69 1wlo s HIS 54 Cb 0.05 0.17 -0.02 0.00 0.04 0.00 0.00 32.58 32.83 1wlo s HIS 54 CO -0.10 -0.30 -0.21 0.00 -2.34 0.00 0.00 174.74 171.79 1wlo s ALA 55 N 1.36 2.34 0.28 1.58 0.00 -1.26 -1.57 121.76 124.48 1wlo s ALA 55 Ca -0.09 -1.02 -0.02 0.00 0.00 0.00 0.00 51.96 50.83 1wlo s ALA 55 Cb -0.09 -0.80 -0.02 0.00 0.00 0.00 0.00 23.12 22.21 1wlo s ALA 55 CO -0.11 0.44 0.33 -0.51 0.00 0.00 0.00 175.76 175.91 1wlo s ASP 56 N -0.26 0.68 -0.16 0.00 1.01 -1.15 -4.21 116.67 112.58 1wlo s ASP 56 Ca 0.00 -1.42 -0.01 0.00 0.71 0.00 0.00 52.55 51.83 1wlo s ASP 56 Cb -0.13 0.54 0.04 0.00 1.01 0.00 0.00 42.92 44.39 1wlo s ASP 56 CO 0.03 -1.08 -0.04 -0.69 0.21 0.00 0.00 175.17 173.60 1wlo s VAL 57 N -3.63 0.97 -0.05 -1.27 1.01 -1.26 -0.92 120.40 115.25 1wlo s VAL 57 Ca 0.34 -0.55 -0.00 0.00 0.00 0.00 0.00 61.98 61.77 1wlo s VAL 57 Cb 0.02 -1.18 0.03 0.00 0.00 0.00 0.00 36.38 35.25 1wlo s VAL 57 CO 0.17 0.10 0.00 -0.70 0.00 0.00 0.00 175.10 174.68 1wlo s GLU 58 N 1.69 0.41 -1.10 2.72 2.12 0.43 -4.80 118.70 120.17 1wlo s GLU 58 Ca 0.01 0.11 -0.03 0.00 0.36 0.00 0.00 54.97 55.42 1wlo s GLU 58 Cb -0.15 -0.69 0.00 0.00 0.26 0.00 0.00 34.13 33.55 1wlo s GLU 58 CO -0.07 -0.21 0.41 0.41 -0.54 0.00 0.00 175.26 175.25 1wlo n GLY 59 N 4.64 -0.16 3.09 -1.50 0.00 -1.26 -1.57 105.19 108.43 1wlo n GLY 59 Ca -0.16 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.29 0.52 3.57 -0.02 0.00 -1.26 -4.97 105.19 101.74 1wlo n GLY 60 Ca -0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.51 2.07 -0.19 1.61 1.02 -0.61 -4.60 119.74 118.53 1wlo s LYS 61 Ca 0.00 -1.28 -0.14 0.00 0.02 0.00 0.00 55.97 54.57 1wlo s LYS 61 Cb 0.00 -2.15 -0.04 0.00 -0.52 0.00 0.00 37.83 35.11 1wlo s LYS 61 CO 0.00 0.43 0.31 0.14 -0.92 0.00 0.00 175.35 175.31 1wlo s VAL 62 N -1.75 5.28 -0.45 3.17 -7.23 0.17 0.16 120.40 119.75 1wlo s VAL 62 Ca 0.25 0.54 -0.19 0.00 -1.81 0.00 0.00 61.98 60.77 1wlo s VAL 62 Cb -0.09 -3.64 0.03 0.00 0.56 0.00 0.00 36.38 33.24 1wlo s VAL 62 CO 0.15 0.33 0.59 -0.13 -0.31 0.00 0.00 175.10 175.74 1wlo s ARG 63 N 0.89 3.19 0.06 4.82 1.81 -0.10 -1.72 118.95 127.90 1wlo s ARG 63 Ca 0.16 -0.61 -0.28 0.00 -1.72 0.00 0.00 55.73 53.28 1wlo s ARG 63 Cb -0.14 -4.00 -0.05 0.00 -0.45 0.00 0.00 34.95 30.32 1wlo s ARG 63 CO 0.05 -1.04 0.87 -0.51 -0.68 0.00 0.00 175.30 174.00 1wlo s LEU 64 N 2.62 4.45 -0.07 2.53 1.02 -1.26 -2.92 118.68 125.05 1wlo s LEU 64 Ca 0.18 1.60 -0.02 0.00 0.02 0.00 0.00 54.13 55.91 1wlo s LEU 64 Cb -0.16 -3.42 0.03 0.00 0.02 0.00 0.00 46.19 42.66 1wlo s LEU 64 CO 0.16 -0.07 0.04 -0.31 0.02 0.00 0.00 176.35 176.18 1wlo s TYR 65 N 0.21 0.34 0.12 0.29 2.02 -0.61 -5.01 117.35 114.71 1wlo s TYR 65 Ca 0.44 0.02 0.10 0.00 -0.37 0.00 0.00 57.07 57.26 1wlo s TYR 65 Cb -0.21 -0.64 -0.04 0.00 -0.40 0.00 0.00 41.96 40.67 1wlo s TYR 65 CO 0.26 -0.28 -0.22 -0.06 -1.57 0.00 0.00 175.55 173.68 1wlo s PHE 66 N 2.08 2.44 -0.17 2.71 0.08 -1.26 -0.17 117.98 123.68 1wlo s PHE 66 Ca 0.05 -0.31 -0.04 0.00 0.12 0.00 0.00 56.93 56.74 1wlo s PHE 66 Cb -0.13 -1.30 0.08 0.00 -0.57 0.00 0.00 43.02 41.10 1wlo s PHE 66 CO -0.04 0.37 0.24 -1.58 -0.10 0.00 0.00 175.22 174.10 1wlo s HIS 67 N -1.11 -0.35 -0.14 0.36 2.46 0.53 -3.74 115.29 113.31 1wlo s HIS 67 Ca 0.16 0.54 -0.04 0.00 0.47 0.00 0.00 55.06 56.20 1wlo s HIS 67 Cb -0.10 -0.22 0.05 0.00 -0.13 0.00 0.00 32.58 32.17 1wlo s HIS 67 CO 0.08 -0.49 0.07 0.54 -2.47 0.00 0.00 174.74 172.47 1wlo s VAL 68 N 2.37 0.03 -0.04 0.89 0.11 -1.26 -0.46 120.40 122.03 1wlo s VAL 68 Ca 0.05 -0.09 -0.06 0.00 -2.93 0.00 0.00 61.98 58.95 1wlo s VAL 68 Cb -0.14 -0.56 -0.04 0.00 -1.53 0.00 0.00 36.38 34.12 1wlo s VAL 68 CO -0.10 -0.15 0.35 1.55 -3.33 0.00 0.00 175.10 173.42 1wlo h PRO 69 N 8.39 -0.22 -1.70 1.54 0.13 -2.01 -3.22 132.00 134.91 1wlo h PRO 69 Ca -0.15 0.02 0.49 0.00 -0.87 0.00 0.00 66.00 65.49 1wlo h PRO 69 Cb 1.14 0.05 -0.07 0.00 0.13 0.00 0.00 31.00 32.25 1wlo h PRO 69 CO 0.27 -0.15 1.34 -0.40 -0.23 0.00 0.00 178.00 178.83 1wlo n ASP 70 N -4.02 0.00 -1.71 1.44 5.75 -1.26 -4.69 116.55 112.06 1wlo n ASP 70 Ca -0.03 0.91 -0.13 0.00 -0.01 0.00 0.00 54.79 55.52 1wlo n ASP 70 Cb 0.09 -0.42 0.01 0.00 -1.03 0.00 0.00 41.12 39.76 1wlo n ASP 70 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1wlo n GLU 71 N -3.69 -1.98 -1.62 0.11 1.02 -1.22 -4.92 120.64 108.34 1wlo n GLU 71 Ca 0.38 0.60 -0.47 0.00 -0.02 0.00 0.00 57.16 57.65 1wlo n GLU 71 Cb 1.85 -4.79 -0.03 0.00 -0.02 0.00 0.00 31.44 28.44 1wlo n GLU 71 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wlo n ALA 72 N -2.22 0.08 0.72 0.62 0.00 -1.26 -4.83 120.51 113.61 1wlo n ALA 72 Ca -0.12 0.44 0.11 0.00 0.00 0.00 0.00 53.44 53.87 1wlo n ALA 72 Cb 0.60 -2.14 0.46 0.00 0.00 0.00 0.00 19.45 18.37 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 1.88 0.04 -0.11 0.00 -0.04 -1.26 -2.04 135.00 133.46 1wlo n PRO 73 Ca 0.13 0.15 -0.19 0.00 -0.04 0.00 0.00 63.50 63.56 1wlo n PRO 73 Cb 0.28 -1.55 -0.07 0.00 -0.04 0.00 0.00 33.50 32.12 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 -1.62 1.51 -0.08 0.52 -2.24 -1.26 -3.38 114.28 107.73 1wlo n THR 74 Ca 0.05 -0.10 -0.07 0.00 -2.27 0.00 0.00 64.05 61.66 1wlo n THR 74 Cb 0.27 -2.11 -0.01 0.00 -2.10 0.00 0.00 70.33 66.38 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 -1.00 0.71 -0.46 2.28 -1.51 -1.95 -1.34 116.25 112.98 1wlo h VAL 75 Ca -0.35 -0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.11 1wlo h VAL 75 Cb 1.26 0.71 -0.02 0.00 -2.13 0.00 0.00 31.29 31.10 1wlo h VAL 75 CO -0.21 0.00 0.27 0.50 -1.23 0.00 0.00 177.57 176.90 1wlo h LYS 76 N 0.00 0.63 -0.14 5.19 3.64 -1.64 -3.02 116.57 121.22 1wlo h LYS 76 Ca 0.14 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1wlo h LYS 76 Cb 0.21 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 1wlo h LYS 76 CO -0.30 0.47 -0.08 0.00 -2.27 0.00 0.00 179.45 177.26 1wlo n ALA 77 N -2.25 -0.09 -0.21 5.00 0.00 -0.53 -0.04 120.51 122.39 1wlo n ALA 77 Ca 0.01 0.12 -0.05 0.00 0.00 0.00 0.00 53.44 53.52 1wlo n ALA 77 Cb 0.06 0.32 0.00 0.00 0.00 0.00 0.00 19.45 19.84 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 -0.95 -0.98 0.00 3.57 -1.43 0.17 116.94 117.31 1wlo h PHE 78 Ca 0.02 0.07 0.19 0.00 3.53 0.00 0.00 57.97 61.79 1wlo h PHE 78 Cb 0.06 0.51 -0.18 0.00 2.79 0.00 0.00 35.95 39.12 1wlo h PHE 78 CO -0.80 -0.39 -0.27 0.00 -2.23 0.00 0.00 178.31 174.63 1wlo h ALA 79 N 0.99 0.57 -0.40 2.41 0.00 -0.33 2.24 119.26 124.73 1wlo h ALA 79 Ca 0.23 0.37 -0.03 0.00 0.00 0.00 0.00 54.91 55.48 1wlo h ALA 79 Cb 0.55 0.79 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 1wlo h ALA 79 CO -0.69 -0.42 0.14 0.78 0.00 0.00 0.00 179.25 179.06 1wlo h GLY 80 N -0.00 0.62 1.01 0.00 0.00 0.94 0.96 103.07 106.60 1wlo h GLY 80 Ca 0.45 -0.30 -0.08 0.00 0.00 0.00 0.00 47.33 47.40 1wlo h GLY 80 CO -1.01 0.29 -0.01 -2.00 0.00 0.00 0.00 176.54 173.81 1wlo h LEU 81 N 0.57 0.85 0.52 3.11 5.85 0.45 0.46 115.31 127.13 1wlo h LEU 81 Ca 0.14 -0.31 -0.03 0.00 0.84 0.00 0.00 57.88 58.52 1wlo h LEU 81 Cb 0.15 -0.23 0.01 0.00 0.37 0.00 0.00 40.66 40.96 1wlo h LEU 81 CO -0.01 0.96 -0.25 -0.07 -0.34 0.00 0.00 178.44 178.73 1wlo h LEU 82 N 0.72 -0.59 -0.49 2.25 -0.00 0.39 -2.60 115.31 114.99 1wlo h LEU 82 Ca 0.14 -0.06 0.00 0.00 -0.00 0.00 0.00 57.88 57.96 1wlo h LEU 82 Cb 0.53 0.15 0.00 0.00 -0.00 0.00 0.00 40.66 41.34 1wlo h LEU 82 CO 0.03 -0.22 0.00 -2.11 -0.00 0.00 0.00 178.44 176.14 1wlo n ARG 83 N -5.28 0.07 0.04 1.13 1.85 0.27 -0.78 116.66 113.96 1wlo n ARG 83 Ca -0.11 0.46 -0.07 0.00 -1.00 0.00 0.00 57.85 57.13 1wlo n ARG 83 Cb 0.32 -1.69 0.09 0.00 -1.05 0.00 0.00 32.46 30.13 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 0.42 -0.74 2.89 4.39 0.34 -3.21 114.58 118.67 1wlo h GLU 84 Ca 0.00 -0.27 -0.31 0.00 0.34 0.00 0.00 59.36 59.12 1wlo h GLU 84 Cb 0.13 0.03 -0.38 0.00 -0.10 0.00 0.00 28.75 28.44 1wlo h GLU 84 CO 0.00 0.87 -1.10 0.41 -1.16 0.00 0.00 179.01 178.03 1wlo n GLY 85 N 0.22 1.59 0.98 -3.84 0.00 -0.54 -4.56 105.19 99.05 1wlo n GLY 85 Ca -0.03 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.30 0.00 -4.48 0.99 4.77 0.04 -4.03 117.00 113.99 1wlo n LEU 86 Ca 0.07 0.00 -0.51 0.00 -0.03 0.00 0.00 56.01 55.54 1wlo n LEU 86 Cb 0.82 0.19 -0.07 0.00 -2.33 0.00 0.00 43.42 42.03 1wlo n LEU 86 CO 0.18 -0.25 1.74 1.21 -1.33 0.00 0.00 177.39 178.94 1wlo n GLU 87 N -1.99 1.16 0.00 3.23 0.00 -1.21 0.21 120.64 122.04 1wlo n GLU 87 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 57.16 57.50 1wlo n GLU 87 Cb 0.00 -2.45 0.00 0.00 0.00 0.00 0.00 31.44 28.99 1wlo n GLU 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1wlo n GLY 88 N 6.22 1.87 2.10 8.31 0.00 -0.70 -4.98 105.19 118.01 1wlo n GLY 88 Ca 0.39 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.22 1wlo n GLY 88 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wlo n GLU 89 N -2.00 -2.93 -3.03 1.61 -0.58 0.58 -4.20 120.64 110.09 1wlo n GLU 89 Ca 0.00 -1.02 -0.24 0.00 -0.42 0.00 0.00 57.16 55.49 1wlo n GLU 89 Cb 0.00 -1.09 0.01 0.00 -0.57 0.00 0.00 31.44 29.79 1wlo n GLU 89 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1wlo s SER 90 N -3.08 5.96 0.15 1.62 0.01 -1.26 0.43 113.70 117.53 1wlo s SER 90 Ca 0.43 0.38 -0.03 0.00 1.31 0.00 0.00 55.95 58.05 1wlo s SER 90 Cb -0.06 -1.70 -0.03 0.00 0.21 0.00 0.00 66.02 64.45 1wlo s SER 90 CO 0.34 -0.61 1.36 1.55 0.41 0.00 0.00 173.24 176.29 1wlo h PRO 91 N 0.44 0.39 -0.18 12.44 0.13 -1.92 -0.26 132.00 143.04 1wlo h PRO 91 Ca -0.47 -0.38 -0.15 0.00 -0.87 0.00 0.00 66.00 64.14 1wlo h PRO 91 Cb 1.24 0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 1wlo h PRO 91 CO 0.59 1.04 -0.51 0.93 -0.23 0.00 0.00 178.00 179.82 1wlo h GLU 92 N 0.24 0.50 0.01 0.86 4.39 -1.96 0.18 114.58 118.80 1wlo h GLU 92 Ca -0.06 -0.30 -0.20 0.00 0.34 0.00 0.00 59.36 59.15 1wlo h GLU 92 Cb 1.46 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 30.12 1wlo h GLU 92 CO 0.15 0.89 -0.93 0.00 -1.16 0.00 0.00 179.01 177.96 1wlo h ALA 93 N 1.05 0.47 -0.07 3.43 0.00 -1.96 -2.27 119.26 119.92 1wlo h ALA 93 Ca 0.02 -0.82 -0.08 0.00 0.00 0.00 0.00 54.91 54.03 1wlo h ALA 93 Cb 1.03 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1wlo h ALA 93 CO 0.09 1.11 -0.26 0.28 0.00 0.00 0.00 179.25 180.47 1wlo h VAL 94 N 0.02 1.43 -0.67 0.00 2.07 -0.85 -3.14 116.25 115.11 1wlo h VAL 94 Ca -0.02 -1.66 -0.01 0.00 0.82 0.00 0.00 66.70 65.83 1wlo h VAL 94 Cb 1.63 2.32 -0.03 0.00 -1.52 0.00 0.00 31.29 33.69 1wlo h VAL 94 CO 0.13 0.47 0.38 -0.07 0.02 0.00 0.00 177.57 178.49 1wlo h LEU 95 N -0.21 0.81 -1.77 2.57 -0.00 -0.70 0.37 115.31 116.38 1wlo h LEU 95 Ca -0.01 -0.06 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 1wlo h LEU 95 Cb 0.90 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 41.35 1wlo h LEU 95 CO 0.05 0.65 0.11 -0.33 -0.00 0.00 0.00 178.44 178.92 1wlo h GLU 96 N 0.92 0.00 -6.43 1.13 4.39 -1.36 -3.39 114.58 109.84 1wlo h GLU 96 Ca 0.24 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.37 1wlo h GLU 96 Cb 0.00 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.60 1wlo h GLU 96 CO -0.04 0.00 0.95 0.08 -1.16 0.00 0.00 179.01 178.83 1wlo s VAL 97 N -3.72 4.21 0.91 3.13 1.01 0.12 -4.03 120.40 122.02 1wlo s VAL 97 Ca -0.03 1.34 -0.12 0.00 0.00 0.00 0.00 61.98 63.17 1wlo s VAL 97 Cb 0.08 -4.31 0.14 0.00 0.00 0.00 0.00 36.38 32.28 1wlo s VAL 97 CO 0.24 -0.61 1.14 -2.16 0.00 0.00 0.00 175.10 173.71 1wlo s PRO 98 N 4.19 1.17 0.00 2.72 0.04 -1.26 -4.92 135.00 136.94 1wlo s PRO 98 Ca 0.53 0.30 0.24 0.00 0.04 0.00 0.00 61.00 62.10 1wlo s PRO 98 Cb -0.13 -1.84 1.38 0.00 0.04 0.00 0.00 34.50 33.95 1wlo s PRO 98 CO 0.24 -2.18 1.79 -0.35 0.04 0.00 0.00 177.00 176.54 1wlo n PRO 99 N -3.75 0.68 -2.65 0.56 -0.04 -1.26 -3.18 135.00 125.35 1wlo n PRO 99 Ca 0.07 0.01 -0.10 0.00 -0.04 0.00 0.00 63.50 63.43 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 0.53 2.23 0.00 0.55 0.00 -1.26 -4.85 105.19 102.39 1wlo n GLY 100 Ca 0.17 -1.48 0.12 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.20 0.00 -0.08 1.61 1.16 -1.19 -3.13 117.46 115.62 1wlo n PHE 101 Ca 0.13 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.61 1wlo n PHE 101 Cb 0.80 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.58 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 -0.91 0.00 -1.48 2.97 0.18 -1.26 -4.96 117.16 111.70 1wlo n TYR 102 Ca 0.18 0.00 -0.57 0.00 1.88 0.00 0.00 57.90 59.39 1wlo n TYR 102 Cb 0.08 -0.70 -0.08 0.00 -0.38 0.00 0.00 39.34 38.25 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 -2.84 0.00 0.00 -3.48 1.74 -1.18 -1.63 116.66 109.27 1wlo n ARG 103 Ca -0.29 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.79 1wlo n ARG 103 Cb 0.89 -1.27 0.00 0.00 -1.02 0.00 0.00 32.46 31.06 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 3.39 2.22 0.00 -0.13 0.00 -1.26 -4.95 105.19 104.46 1wlo n GLY 104 Ca 0.26 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.65 -4.87 117.16 117.26 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 -0.47 -1.44 0.12 2.72 0.00 -1.26 -4.85 105.19 100.02 1wlo n GLY 106 Ca 0.00 0.45 -0.17 0.00 0.00 0.00 0.00 46.02 46.30 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 2.71 -0.06 0.99 4.77 -1.26 -4.47 117.00 119.68 1wlo n LEU 107 Ca 0.00 -0.12 -0.09 0.00 -0.03 0.00 0.00 56.01 55.77 1wlo n LEU 107 Cb 0.00 -0.75 -0.02 0.00 -2.33 0.00 0.00 43.42 40.32 1wlo n LEU 107 CO 0.00 0.88 0.93 -0.33 -1.33 0.00 0.00 177.39 177.55 1wlo h GLU 108 N 0.00 0.22 -1.67 3.23 5.08 -1.93 0.66 114.58 120.17 1wlo h GLU 108 Ca -0.56 -0.01 0.48 0.00 -1.00 0.00 0.00 59.36 58.27 1wlo h GLU 108 Cb 1.90 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 31.03 1wlo h GLU 108 CO -0.08 0.15 1.33 0.93 -1.00 0.00 0.00 179.01 180.34 1wlo h GLU 109 N 0.23 0.00 0.00 2.33 5.08 -1.97 -0.73 114.58 119.51 1wlo h GLU 109 Ca 0.10 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.12 1wlo h GLU 109 Cb 0.05 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.25 1wlo h GLU 109 CO -0.09 0.00 -2.13 1.19 -1.00 0.00 0.00 179.01 176.98 1wlo n PHE 110 N -3.77 0.00 -2.43 4.33 3.72 -0.49 -4.89 117.46 113.93 1wlo n PHE 110 Ca 0.37 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.35 1wlo n PHE 110 Cb 1.83 -0.76 -0.02 0.00 -0.94 0.00 0.00 39.48 39.59 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 -2.42 2.43 0.88 1.38 0.08 0.22 -4.98 117.98 115.57 1wlo s PHE 111 Ca -0.30 0.55 -0.16 0.00 0.12 0.00 0.00 56.93 57.14 1wlo s PHE 111 Cb 0.11 -4.40 -0.14 0.00 -0.57 0.00 0.00 43.02 38.02 1wlo s PHE 111 CO 0.38 -1.83 -0.67 0.25 -0.10 0.00 0.00 175.22 173.25 1wlo n THR 112 N 6.90 0.00 0.90 0.64 -2.24 -1.26 -4.45 114.28 114.77 1wlo n THR 112 Ca 0.13 -0.47 0.11 0.00 -2.27 0.00 0.00 64.05 61.55 1wlo n THR 112 Cb 0.49 0.00 0.51 0.00 -2.10 0.00 0.00 70.33 69.23 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 2.23 0.15 -0.02 -0.78 -0.04 -1.26 -2.36 135.00 132.91 1wlo n PRO 113 Ca -0.01 0.10 -0.01 0.00 -0.04 0.00 0.00 63.50 63.54 1wlo n PRO 113 Cb 0.52 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.47 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 -0.88 1.53 -0.00 -2.00 -3.36 115.31 110.60 1wlo h LEU 114 Ca 0.00 0.00 0.21 0.00 -0.00 0.00 0.00 57.88 58.09 1wlo h LEU 114 Cb 0.30 0.00 -0.12 0.00 -0.00 0.00 0.00 40.66 40.84 1wlo h LEU 114 CO 0.00 0.23 0.38 0.03 -0.00 0.00 0.00 178.44 179.08 1wlo h ARG 115 N -0.32 0.41 -0.89 1.13 3.08 -1.91 -1.06 114.38 114.81 1wlo h ARG 115 Ca 0.00 -0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.11 1wlo h ARG 115 Cb 0.14 -0.09 -0.11 0.00 0.08 0.00 0.00 29.97 29.98 1wlo h ARG 115 CO 0.00 0.27 -0.57 -0.07 -1.07 0.00 0.00 179.97 178.52 1wlo h LEU 116 N 0.42 -2.09 -0.92 3.04 3.38 -1.66 0.97 115.31 118.45 1wlo h LEU 116 Ca 0.54 0.31 0.14 0.00 0.09 0.00 0.00 57.88 58.96 1wlo h LEU 116 Cb 0.98 0.91 -0.15 0.00 0.09 0.00 0.00 40.66 42.49 1wlo h LEU 116 CO -0.51 -0.25 -0.39 0.03 0.09 0.00 0.00 178.44 177.41 1wlo h ARG 117 N -0.06 -0.03 0.54 1.13 3.08 -1.33 0.19 114.38 117.90 1wlo h ARG 117 Ca 0.14 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.17 1wlo h ARG 117 Cb 0.43 0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.49 1wlo h ARG 117 CO -0.87 -0.02 -0.26 0.78 -1.07 0.00 0.00 179.97 178.53 1wlo h GLY 118 N -0.03 -0.76 -0.57 0.04 0.00 -0.42 -2.79 103.07 98.54 1wlo h GLY 118 Ca 0.32 0.28 0.05 0.00 0.00 0.00 0.00 47.33 47.98 1wlo h GLY 118 CO -0.93 -0.28 -0.34 1.04 0.00 0.00 0.00 176.54 176.04 1wlo n LEU 119 N -5.33 -0.61 -0.32 3.11 4.32 0.30 0.11 117.00 118.59 1wlo n LEU 119 Ca -0.12 1.44 0.17 0.00 -0.02 0.00 0.00 56.01 57.48 1wlo n LEU 119 Cb 0.33 -0.34 0.34 0.00 -1.62 0.00 0.00 43.42 42.13 1wlo n LEU 119 CO 0.33 -1.04 0.93 -0.33 -1.22 0.00 0.00 177.39 176.06 1wlo h GLU 120 N 0.00 0.12 -1.03 3.23 4.39 -0.72 1.51 114.58 122.09 1wlo h GLU 120 Ca 0.09 -0.01 0.27 0.00 0.34 0.00 0.00 59.36 60.05 1wlo h GLU 120 Cb 0.23 -0.03 -0.12 0.00 -0.10 0.00 0.00 28.75 28.74 1wlo h GLU 120 CO -0.54 0.08 0.62 0.00 -1.16 0.00 0.00 179.01 178.02 1wlo h ALA 121 N 1.88 1.96 -0.17 3.43 0.00 0.11 0.12 119.26 126.59 1wlo h ALA 121 Ca 0.62 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.68 1wlo h ALA 121 Cb 1.34 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 19.10 1wlo h ALA 121 CO -0.75 -0.44 -0.44 0.00 0.00 0.00 0.00 179.25 177.62 1wlo h ALA 122 N 1.71 -0.61 0.14 0.00 0.00 0.26 1.40 119.26 122.15 1wlo h ALA 122 Ca 0.65 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.56 1wlo h ALA 122 Cb 1.39 0.84 -0.02 0.00 0.00 0.00 0.00 17.79 20.00 1wlo h ALA 122 CO -0.44 -0.94 -0.20 1.25 0.00 0.00 0.00 179.25 178.93 1wlo h LEU 123 N -0.48 -0.54 -1.12 0.00 5.85 -0.86 0.31 115.31 118.47 1wlo h LEU 123 Ca 0.08 0.06 0.19 0.00 0.84 0.00 0.00 57.88 59.05 1wlo h LEU 123 Cb 0.63 0.20 -0.10 0.00 0.37 0.00 0.00 40.66 41.76 1wlo h LEU 123 CO -0.43 -0.28 0.61 -0.07 -0.34 0.00 0.00 178.44 177.93 1wlo h LEU 124 N -0.39 0.71 0.58 2.25 3.38 -0.38 0.65 115.31 122.11 1wlo h LEU 124 Ca 0.02 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1wlo h LEU 124 Cb 0.40 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.10 1wlo h LEU 124 CO -0.09 0.27 -0.28 0.03 0.09 0.00 0.00 178.44 178.46 1wlo h ARG 125 N 0.70 -0.76 -0.45 1.13 3.08 0.32 -2.18 114.38 116.22 1wlo h ARG 125 Ca 0.55 0.05 0.09 0.00 0.07 0.00 0.00 59.98 60.75 1wlo h ARG 125 Cb 0.94 0.17 -0.09 0.00 0.08 0.00 0.00 29.97 31.07 1wlo h ARG 125 CO -0.33 -0.50 -0.18 -0.07 -1.07 0.00 0.00 179.97 177.82 1wlo h LEU 126 N -1.06 -0.62 -1.97 3.04 3.38 0.26 0.80 115.31 119.14 1wlo h LEU 126 Ca -0.08 0.16 0.17 0.00 0.09 0.00 0.00 57.88 58.21 1wlo h LEU 126 Cb 0.60 0.35 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 1wlo h LEU 126 CO 0.13 -0.21 0.50 1.56 0.09 0.00 0.00 178.44 180.51 1wlo h GLN 127 N -0.08 0.00 0.00 1.13 4.20 0.25 1.26 115.11 121.87 1wlo h GLN 127 Ca 0.22 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.76 1wlo h GLN 127 Cb 0.41 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 1wlo h GLN 127 CO -0.51 0.00 -0.95 0.00 -0.67 0.00 0.00 178.83 176.70 1wlo h ALA 128 N 1.54 0.59 0.00 3.87 0.00 0.12 -1.83 119.26 123.54 1wlo h ALA 128 Ca 0.27 -0.76 -0.22 0.00 0.00 0.00 0.00 54.91 54.21 1wlo h ALA 128 Cb 1.27 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 1wlo h ALA 128 CO -0.00 0.94 -1.11 1.96 0.00 0.00 0.00 179.25 181.04 1wlo h GLN 129 N 0.00 0.00 0.02 0.00 4.20 0.37 -3.23 115.11 116.47 1wlo h GLN 129 Ca -0.07 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 1wlo h GLN 129 Cb 1.59 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.37 1wlo h GLN 129 CO 0.08 0.85 -0.01 0.28 -0.67 0.00 0.00 178.83 179.36 1wlo h VAL 130 N 0.00 0.77 -1.29 -0.54 2.07 0.41 -3.25 116.25 114.41 1wlo h VAL 130 Ca -0.07 -1.52 0.42 0.00 0.82 0.00 0.00 66.70 66.35 1wlo h VAL 130 Cb 1.79 1.44 -0.12 0.00 -1.52 0.00 0.00 31.29 32.88 1wlo h VAL 130 CO 0.11 0.26 0.84 0.03 0.02 0.00 0.00 177.57 178.82 1wlo h ARG 131 N -0.99 0.11 -0.44 1.57 3.08 -1.48 1.61 114.38 117.85 1wlo h ARG 131 Ca -0.00 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 1wlo h ARG 131 Cb 0.44 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 1wlo h ARG 131 CO 0.01 0.07 0.20 -0.22 -1.07 0.00 0.00 179.97 178.96 1wlo h LYS 132 N 0.11 0.64 -0.40 0.04 3.11 -1.62 -2.62 116.57 115.83 1wlo h LYS 132 Ca 0.80 -0.10 0.07 0.00 -2.81 0.00 0.00 60.65 58.60 1wlo h LYS 132 Cb 2.47 -0.11 -0.06 0.00 -1.00 0.00 0.00 32.23 33.53 1wlo h LYS 132 CO -0.40 0.56 0.04 0.00 -2.81 0.00 0.00 179.45 176.84 1wlo h ALA 133 N 1.04 0.40 -0.69 5.00 0.00 0.23 0.94 119.26 126.19 1wlo h ALA 133 Ca 0.15 0.10 0.13 0.00 0.00 0.00 0.00 54.91 55.28 1wlo h ALA 133 Cb 0.14 0.15 -0.13 0.00 0.00 0.00 0.00 17.79 17.95 1wlo h ALA 133 CO -0.02 -0.36 -0.26 -0.07 0.00 0.00 0.00 179.25 178.54 1wlo h LEU 134 N 0.16 -0.93 -0.63 0.00 4.07 -1.03 0.77 115.31 117.72 1wlo h LEU 134 Ca 0.19 0.23 -0.08 0.00 0.08 0.00 0.00 57.88 58.30 1wlo h LEU 134 Cb 0.25 0.52 -0.01 0.00 1.08 0.00 0.00 40.66 42.51 1wlo h LEU 134 CO -0.29 -0.27 -0.40 0.00 -1.08 0.00 0.00 178.44 176.40 1wlo h THR 135 N -0.07 0.83 -0.03 0.22 1.03 -1.08 -3.52 112.91 110.29 1wlo h THR 135 Ca 0.30 -1.72 0.00 0.00 -0.01 0.00 0.00 66.41 64.98 1wlo h THR 135 Cb 0.55 2.09 0.00 0.00 -1.07 0.00 0.00 68.15 69.72 1wlo h THR 135 CO -0.74 0.39 0.00 -0.24 -0.01 0.00 0.00 175.52 174.93