#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 -0.62 -1.52 2.03 0.24 -1.26 -4.88 118.33 112.32 1wlo n VAL 2 Ca 0.00 0.67 -0.30 0.00 -2.04 0.00 0.00 64.34 62.68 1wlo n VAL 2 Cb 0.00 -1.03 0.20 0.00 -1.47 0.00 0.00 33.84 31.53 1wlo n VAL 2 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1wlo s PRO 3 N -4.36 0.04 -0.07 7.34 0.04 -1.25 -4.83 135.00 131.90 1wlo s PRO 3 Ca 0.00 -0.12 -0.16 0.00 0.04 0.00 0.00 61.00 60.76 1wlo s PRO 3 Cb 0.00 -1.75 -0.11 0.00 0.04 0.00 0.00 34.50 32.68 1wlo s PRO 3 CO 0.00 -2.86 0.60 -1.00 0.04 0.00 0.00 177.00 173.77 1wlo h PRO 4 N -1.97 -0.22 -1.40 0.56 0.13 -1.92 -0.04 132.00 127.15 1wlo h PRO 4 Ca -0.46 0.01 0.47 0.00 -0.87 0.00 0.00 66.00 65.16 1wlo h PRO 4 Cb 1.28 0.05 -0.13 0.00 0.13 0.00 0.00 31.00 32.33 1wlo h PRO 4 CO 0.42 0.11 0.92 1.63 -0.23 0.00 0.00 178.00 180.85 1wlo n LYS 5 N -4.91 -0.03 -0.03 0.86 5.02 -1.26 0.21 118.16 118.01 1wlo n LYS 5 Ca -0.06 1.18 -0.01 0.00 -2.02 0.00 0.00 58.31 57.40 1wlo n LYS 5 Cb 0.21 -2.37 -0.00 0.00 -0.02 0.00 0.00 35.03 32.85 1wlo n LYS 5 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1wlo h LEU 6 N 0.00 0.00 -1.67 -0.35 7.12 -1.67 -3.04 115.31 115.69 1wlo h LEU 6 Ca 0.85 0.00 0.46 0.00 0.13 0.00 0.00 57.88 59.32 1wlo h LEU 6 Cb 2.85 0.00 -0.10 0.00 -0.53 0.00 0.00 40.66 42.88 1wlo h LEU 6 CO -0.39 0.33 1.02 0.50 -0.13 0.00 0.00 178.44 179.77 1wlo h LYS 7 N -0.56 0.06 -0.04 1.25 1.63 0.11 1.19 116.57 120.21 1wlo h LYS 7 Ca 0.00 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1wlo h LYS 7 Cb 0.10 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.72 1wlo h LYS 7 CO 0.00 0.04 -0.01 1.96 -3.45 0.00 0.00 179.45 177.99 1wlo h GLN 8 N 0.06 0.08 0.49 1.90 1.08 0.23 -0.96 115.11 117.99 1wlo h GLN 8 Ca 0.81 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.96 1wlo h GLN 8 Cb 2.84 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 30.25 1wlo h GLN 8 CO -0.23 0.44 -0.45 0.00 -0.95 0.00 0.00 178.83 177.64 1wlo h ALA 9 N 0.64 -1.02 -0.24 3.87 0.00 0.15 1.58 119.26 124.24 1wlo h ALA 9 Ca 0.01 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.79 1wlo h ALA 9 Cb 0.41 0.64 -0.07 0.00 0.00 0.00 0.00 17.79 18.76 1wlo h ALA 9 CO 0.00 -1.11 -0.47 -0.07 0.00 0.00 0.00 179.25 177.60 1wlo h LEU 10 N -0.94 -1.51 0.50 0.00 3.38 -1.21 1.62 115.31 117.15 1wlo h LEU 10 Ca -0.05 0.20 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1wlo h LEU 10 Cb 0.82 0.62 -0.01 0.00 0.09 0.00 0.00 40.66 42.18 1wlo h LEU 10 CO -0.04 -0.42 -0.39 -0.33 0.09 0.00 0.00 178.44 177.34 1wlo h GLU 11 N -0.46 -0.83 -0.34 1.13 5.08 -0.91 -1.59 114.58 116.66 1wlo h GLU 11 Ca 0.08 0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.55 1wlo h GLU 11 Cb 0.63 0.19 -0.08 0.00 0.50 0.00 0.00 28.75 29.99 1wlo h GLU 11 CO -0.48 -0.56 -0.54 1.25 -1.00 0.00 0.00 179.01 177.69 1wlo h LEU 12 N -0.87 -1.77 -0.65 1.33 5.85 0.27 0.58 115.31 120.05 1wlo h LEU 12 Ca -0.07 0.23 0.06 0.00 0.84 0.00 0.00 57.88 58.94 1wlo h LEU 12 Cb 0.72 0.72 -0.08 0.00 0.37 0.00 0.00 40.66 42.40 1wlo h LEU 12 CO 0.01 -0.42 -0.38 0.33 -0.34 0.00 0.00 178.44 177.64 1wlo n PHE 13 N -5.40 -0.29 -0.03 1.25 7.35 0.55 0.20 117.46 121.10 1wlo n PHE 13 Ca -0.04 0.81 0.08 0.00 -0.76 0.00 0.00 57.45 57.55 1wlo n PHE 13 Cb 0.35 -0.54 0.47 0.00 0.35 0.00 0.00 39.48 40.11 1wlo n PHE 13 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 1wlo h LYS 14 N 0.00 0.44 0.00 -4.13 3.64 -0.52 0.35 116.57 116.35 1wlo h LYS 14 Ca 0.10 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1wlo h LYS 14 Cb 0.27 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1wlo h LYS 14 CO -0.61 0.29 -0.12 1.03 -2.27 0.00 0.00 179.45 177.77 1wlo h SER 15 N 0.45 0.00 -4.35 4.20 0.87 0.74 -3.44 113.55 112.02 1wlo h SER 15 Ca 0.20 0.00 -0.51 0.00 -1.23 0.00 0.00 61.79 60.25 1wlo h SER 15 Cb 0.23 0.00 0.06 0.00 -0.44 0.00 0.00 62.40 62.26 1wlo h SER 15 CO -0.05 0.12 0.41 -0.76 -0.53 0.00 0.00 176.83 176.02 1wlo s LEU 16 N -6.52 3.23 0.17 2.23 1.43 0.55 -5.02 118.68 114.75 1wlo s LEU 16 Ca 0.01 1.45 -0.30 0.00 -1.03 0.00 0.00 54.13 54.26 1wlo s LEU 16 Cb 0.09 -4.47 -0.08 0.00 0.03 0.00 0.00 46.19 41.76 1wlo s LEU 16 CO 0.60 -0.94 1.12 -2.16 0.23 0.00 0.00 176.35 175.19 1wlo s PRO 17 N -5.13 4.57 0.01 1.29 0.04 -1.26 -4.70 135.00 129.82 1wlo s PRO 17 Ca 0.56 1.74 -0.03 0.00 0.04 0.00 0.00 61.00 63.31 1wlo s PRO 17 Cb -0.11 -3.28 -0.01 0.00 0.04 0.00 0.00 34.50 31.14 1wlo s PRO 17 CO 0.54 0.04 0.81 0.36 0.04 0.00 0.00 177.00 178.78 1wlo n LYS 18 N 2.46 -0.04 -0.28 4.56 2.85 -1.26 0.17 118.16 126.62 1wlo n LYS 18 Ca 0.03 0.80 0.11 0.00 -1.05 0.00 0.00 58.31 58.21 1wlo n LYS 18 Cb 0.46 -1.20 0.23 0.00 -0.65 0.00 0.00 35.03 33.87 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 -3.00 -0.06 0.04 -1.58 0.28 -1.26 0.11 120.64 115.17 1wlo n GLU 19 Ca 0.00 1.20 -0.12 0.00 -0.16 0.00 0.00 57.16 58.08 1wlo n GLU 19 Cb 0.02 -1.91 -0.09 0.00 1.43 0.00 0.00 31.44 30.90 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 -0.14 -0.94 -1.84 3.38 0.14 -3.18 115.31 112.73 1wlo h LEU 20 Ca 0.48 -0.39 0.18 0.00 0.09 0.00 0.00 57.88 58.24 1wlo h LEU 20 Cb 0.97 0.04 -0.17 0.00 0.09 0.00 0.00 40.66 41.59 1wlo h LEU 20 CO -0.76 0.37 -0.26 0.54 0.09 0.00 0.00 178.44 178.42 1wlo n ARG 21 N -4.93 -0.11 -0.16 1.13 1.74 0.44 0.16 116.66 114.93 1wlo n ARG 21 Ca -0.08 1.46 -0.02 0.00 -0.77 0.00 0.00 57.85 58.43 1wlo n ARG 21 Cb 0.27 -2.17 0.06 0.00 -1.02 0.00 0.00 32.46 29.59 1wlo n ARG 21 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1wlo h SER 22 N 0.00 -0.14 -0.65 0.55 0.87 -0.93 -0.10 113.55 113.14 1wlo h SER 22 Ca 0.42 0.11 -0.08 0.00 -1.23 0.00 0.00 61.79 61.01 1wlo h SER 22 Cb 0.66 0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.77 1wlo h SER 22 CO -0.96 -0.04 0.08 1.56 -0.53 0.00 0.00 176.83 176.94 1wlo h GLN 23 N 0.15 1.10 0.19 2.24 1.08 0.15 -2.93 115.11 117.08 1wlo h GLN 23 Ca 0.25 -0.31 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1wlo h GLN 23 Cb 0.36 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.65 1wlo h GLN 23 CO -0.38 1.02 -0.35 0.28 -0.95 0.00 0.00 178.83 178.45 1wlo h VAL 24 N 1.03 0.00 -0.98 -0.54 2.07 0.18 0.56 116.25 118.57 1wlo h VAL 24 Ca 0.20 0.00 0.34 0.00 0.82 0.00 0.00 66.70 68.06 1wlo h VAL 24 Cb 0.47 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.08 1wlo h VAL 24 CO 0.02 0.00 0.44 -0.07 0.02 0.00 0.00 177.57 177.98 1wlo h LEU 25 N -0.57 0.23 0.51 2.57 3.38 -1.09 0.50 115.31 120.85 1wlo h LEU 25 Ca -0.02 0.23 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 1wlo h LEU 25 Cb 0.54 0.25 0.01 0.00 0.09 0.00 0.00 40.66 41.55 1wlo h LEU 25 CO -0.13 -0.29 -0.25 -0.07 0.09 0.00 0.00 178.44 177.79 1wlo h LEU 26 N 0.14 -0.59 -0.64 1.67 -0.00 -0.94 -2.99 115.31 111.96 1wlo h LEU 26 Ca 0.74 -0.06 0.12 0.00 -0.00 0.00 0.00 57.88 58.68 1wlo h LEU 26 Cb 1.77 0.15 -0.12 0.00 -0.00 0.00 0.00 40.66 42.45 1wlo h LEU 26 CO -0.72 -0.25 -0.27 -0.33 -0.00 0.00 0.00 178.44 176.87 1wlo h GLU 27 N -0.94 -0.09 -0.71 1.13 5.08 0.46 -0.66 114.58 118.84 1wlo h GLU 27 Ca -0.07 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.39 1wlo h GLU 27 Cb 0.61 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.77 1wlo h GLU 27 CO 0.12 -0.06 -0.50 1.88 -1.00 0.00 0.00 179.01 179.45 1wlo h TYR 28 N -0.10 -1.51 -0.84 4.33 -1.99 -0.64 0.59 116.97 116.82 1wlo h TYR 28 Ca 0.28 0.10 0.16 0.00 2.00 0.00 0.00 58.73 61.26 1wlo h TYR 28 Cb 0.54 0.76 -0.10 0.00 2.00 0.00 0.00 36.73 39.92 1wlo h TYR 28 CO -0.61 -0.42 0.40 0.00 -0.00 0.00 0.00 178.16 177.53 1wlo h ALA 29 N 0.56 1.27 -0.05 3.88 0.00 -1.00 1.16 119.26 125.07 1wlo h ALA 29 Ca 0.18 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.21 1wlo h ALA 29 Cb 0.53 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1wlo h ALA 29 CO -0.78 -0.16 0.06 0.00 0.00 0.00 0.00 179.25 178.37 1wlo h ALA 30 N 1.59 1.65 -0.79 0.00 0.00 0.92 0.03 119.26 122.65 1wlo h ALA 30 Ca 0.47 -0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.84 1wlo h ALA 30 Cb 0.73 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 18.29 1wlo h ALA 30 CO -0.40 -0.09 0.70 1.63 0.00 0.00 0.00 179.25 181.09 1wlo n LYS 31 N -3.89 2.34 -3.80 0.00 4.01 0.40 -4.76 118.16 112.45 1wlo n LYS 31 Ca -0.02 -2.61 -0.30 0.00 -0.51 0.00 0.00 58.31 54.87 1wlo n LYS 31 Cb 0.15 -2.02 -0.15 0.00 -0.51 0.00 0.00 35.03 32.50 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 -3.83 1.32 0.68 -0.18 1.01 -0.00 -4.94 120.40 114.46 1wlo s VAL 32 Ca 0.52 -1.85 -0.11 0.00 0.00 0.00 0.00 61.98 60.53 1wlo s VAL 32 Cb 0.40 -1.98 0.00 0.00 0.00 0.00 0.00 36.38 34.80 1wlo s VAL 32 CO -0.01 -0.70 1.06 -2.16 0.00 0.00 0.00 175.10 173.29 1wlo s PRO 33 N 1.20 3.00 0.60 2.72 0.04 -1.26 -5.04 135.00 136.26 1wlo s PRO 33 Ca 0.12 0.98 -0.15 0.00 0.04 0.00 0.00 61.00 61.99 1wlo s PRO 33 Cb -0.19 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 1wlo s PRO 33 CO -0.16 -1.05 1.05 -1.25 0.04 0.00 0.00 177.00 175.62 1wlo s PRO 34 N -4.92 3.31 0.57 0.56 0.04 -1.26 -4.71 135.00 128.59 1wlo s PRO 34 Ca 0.59 1.13 -0.17 0.00 0.04 0.00 0.00 61.00 62.59 1wlo s PRO 34 Cb -0.14 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 1wlo s PRO 34 CO 0.53 -0.81 1.05 -1.25 0.04 0.00 0.00 177.00 176.55 1wlo s PRO 35 N -4.26 3.48 0.78 0.56 0.04 -1.26 -5.02 135.00 129.32 1wlo s PRO 35 Ca 0.62 1.20 -0.11 0.00 0.04 0.00 0.00 61.00 62.75 1wlo s PRO 35 Cb -0.15 -2.06 0.06 0.00 0.04 0.00 0.00 34.50 32.39 1wlo s PRO 35 CO 0.40 -0.68 1.09 -1.25 0.04 0.00 0.00 177.00 176.60 1wlo s PRO 36 N -3.93 2.23 0.06 0.56 0.04 -1.26 -5.00 135.00 127.70 1wlo s PRO 36 Ca 0.64 0.69 -0.30 0.00 0.04 0.00 0.00 61.00 62.06 1wlo s PRO 36 Cb -0.15 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 1wlo s PRO 36 CO 0.33 -1.53 1.16 -1.25 0.04 0.00 0.00 177.00 175.76 1wlo s PRO 37 N -5.14 4.46 0.00 0.56 0.04 -1.26 -3.26 135.00 130.40 1wlo s PRO 37 Ca 0.60 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.36 1wlo s PRO 37 Cb -0.14 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 31.04 1wlo s PRO 37 CO 0.54 -0.21 0.00 0.41 0.04 0.00 0.00 177.00 177.78 1wlo n GLY 38 N 3.10 3.03 3.68 0.56 0.00 -1.26 -5.05 105.19 109.25 1wlo n GLY 38 Ca 0.08 -0.97 -0.45 0.00 0.00 0.00 0.00 46.02 44.68 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 0.52 -3.23 1.61 0.31 -1.20 -4.93 118.33 111.40 1wlo n VAL 39 Ca 0.00 -0.09 -0.39 0.00 -0.01 0.00 0.00 64.34 63.85 1wlo n VAL 39 Cb 0.00 -2.01 -0.06 0.00 -0.91 0.00 0.00 33.84 30.86 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 3.51 4.27 0.04 5.55 2.12 -1.26 -4.94 118.70 127.99 1wlo s GLU 40 Ca 0.88 0.50 0.08 0.00 0.36 0.00 0.00 54.97 56.79 1wlo s GLU 40 Cb -0.58 -3.51 -0.03 0.00 0.26 0.00 0.00 34.13 30.27 1wlo s GLU 40 CO 0.44 -0.03 -0.21 -0.51 -0.54 0.00 0.00 175.26 174.41 1wlo s LEU 41 N 1.24 2.46 -0.14 2.70 1.02 -1.26 -4.84 118.68 119.85 1wlo s LEU 41 Ca 0.27 -0.47 -0.05 0.00 0.02 0.00 0.00 54.13 53.90 1wlo s LEU 41 Cb -0.16 -1.44 -0.04 0.00 0.02 0.00 0.00 46.19 44.58 1wlo s LEU 41 CO 0.11 0.26 0.04 -0.70 0.02 0.00 0.00 176.35 176.08 1wlo s GLU 42 N -1.31 3.61 0.49 1.70 2.12 -0.98 -4.88 118.70 119.45 1wlo s GLU 42 Ca 0.13 -0.36 -0.21 0.00 0.36 0.00 0.00 54.97 54.89 1wlo s GLU 42 Cb -0.10 -3.06 -0.07 0.00 0.26 0.00 0.00 34.13 31.16 1wlo s GLU 42 CO 0.04 0.45 1.10 0.50 -0.54 0.00 0.00 175.26 176.80 1wlo s ARG 43 N -0.14 3.67 -0.85 4.30 3.52 -1.26 -2.28 118.95 125.92 1wlo s ARG 43 Ca 0.06 1.56 -0.16 0.00 -0.13 0.00 0.00 55.73 57.06 1wlo s ARG 43 Cb -0.12 -2.18 0.18 0.00 -1.56 0.00 0.00 34.95 31.27 1wlo s ARG 43 CO 0.01 -0.57 0.89 0.08 -0.81 0.00 0.00 175.30 174.91 1wlo s VAL 44 N -1.77 5.25 0.54 7.11 1.01 0.31 -4.86 120.40 127.98 1wlo s VAL 44 Ca 0.67 -2.06 0.23 0.00 0.00 0.00 0.00 61.98 60.82 1wlo s VAL 44 Cb -0.22 -4.58 0.36 0.00 0.00 0.00 0.00 36.38 31.93 1wlo s VAL 44 CO 0.26 -1.21 2.05 0.45 0.00 0.00 0.00 175.10 176.65 1wlo h HIS 45 N 8.25 0.00 0.00 5.22 3.86 -1.93 0.51 115.15 131.05 1wlo h HIS 45 Ca 0.10 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 1wlo h HIS 45 Cb 1.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.51 1wlo h HIS 45 CO 1.07 0.00 0.00 0.93 0.86 0.00 0.00 177.93 180.79 1wlo h GLU 46 N 0.00 0.00 -5.42 2.45 4.39 -1.89 -3.39 114.58 110.72 1wlo h GLU 46 Ca 0.17 0.00 -0.64 0.00 0.34 0.00 0.00 59.36 59.22 1wlo h GLU 46 Cb 0.69 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 29.12 1wlo h GLU 46 CO -0.00 0.00 -0.67 0.00 -1.16 0.00 0.00 179.01 177.18 1wlo h GLN 48 N 6.47 -0.22 -6.76 0.00 4.20 -1.80 -3.44 115.11 113.56 1wlo h GLN 48 Ca -0.33 0.01 -0.53 0.00 0.06 0.00 0.00 58.65 57.86 1wlo h GLN 48 Cb 1.19 0.05 0.22 0.00 0.30 0.00 0.00 27.48 29.24 1wlo h GLN 48 CO 0.61 -0.14 -0.63 0.25 -0.67 0.00 0.00 178.83 178.25 1wlo n THR 49 N -2.72 0.00 -2.35 -0.54 -2.24 -1.26 -4.84 114.28 100.33 1wlo n THR 49 Ca -0.03 -0.20 -0.43 0.00 -2.27 0.00 0.00 64.05 61.12 1wlo n THR 49 Cb 0.09 -0.60 -0.02 0.00 -2.10 0.00 0.00 70.33 67.69 1wlo n THR 49 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1wlo s PRO 50 N -3.59 3.59 -0.02 -0.78 0.04 -1.26 -4.90 135.00 128.08 1wlo s PRO 50 Ca 0.56 0.95 0.01 0.00 0.04 0.00 0.00 61.00 62.56 1wlo s PRO 50 Cb -0.21 -4.02 0.01 0.00 0.04 0.00 0.00 34.50 30.32 1wlo s PRO 50 CO 0.68 -1.55 -0.03 0.12 0.04 0.00 0.00 177.00 176.26 1wlo s PHE 51 N 5.39 0.38 -0.04 0.56 5.36 -1.26 -4.22 117.98 124.14 1wlo s PHE 51 Ca 0.61 -0.06 0.02 0.00 -0.96 0.00 0.00 56.93 56.54 1wlo s PHE 51 Cb -0.14 -0.33 0.01 0.00 -0.34 0.00 0.00 43.02 42.23 1wlo s PHE 51 CO 0.32 -0.06 -0.09 -0.06 -1.46 0.00 0.00 175.22 173.87 1wlo s PHE 52 N 0.34 1.05 0.18 10.12 0.08 -0.91 -0.53 117.98 128.30 1wlo s PHE 52 Ca -0.03 -0.31 0.06 0.00 0.12 0.00 0.00 56.93 56.77 1wlo s PHE 52 Cb -0.07 -0.79 -0.05 0.00 -0.57 0.00 0.00 43.02 41.55 1wlo s PHE 52 CO -0.01 -0.17 -0.13 0.14 -0.10 0.00 0.00 175.22 174.96 1wlo s VAL 53 N 0.50 1.50 -0.29 -0.44 -7.23 -0.96 -0.77 120.40 112.71 1wlo s VAL 53 Ca -0.08 -2.14 -0.15 0.00 -1.81 0.00 0.00 61.98 57.80 1wlo s VAL 53 Cb -0.12 -1.95 0.12 0.00 0.56 0.00 0.00 36.38 34.99 1wlo s VAL 53 CO 0.01 -0.65 0.81 -2.28 -0.31 0.00 0.00 175.10 172.69 1wlo s HIS 54 N -3.09 -0.90 0.17 2.82 5.04 0.51 -2.32 115.29 117.52 1wlo s HIS 54 Ca 0.20 1.72 0.11 0.00 -1.54 0.00 0.00 55.06 55.55 1wlo s HIS 54 Cb 0.00 0.54 -0.04 0.00 0.04 0.00 0.00 32.58 33.12 1wlo s HIS 54 CO 0.04 -0.44 -0.23 0.00 -2.34 0.00 0.00 174.74 171.76 1wlo s ALA 55 N 1.81 2.54 0.19 1.58 0.00 -1.26 -0.17 121.76 126.46 1wlo s ALA 55 Ca -0.08 -1.57 -0.21 0.00 0.00 0.00 0.00 51.96 50.10 1wlo s ALA 55 Cb -0.06 -0.39 0.05 0.00 0.00 0.00 0.00 23.12 22.72 1wlo s ALA 55 CO -0.18 0.47 0.61 -0.51 0.00 0.00 0.00 175.76 176.16 1wlo s ASP 56 N -2.49 -0.44 -0.30 0.00 1.01 -0.15 -4.50 116.67 109.81 1wlo s ASP 56 Ca 0.19 -0.23 0.01 0.00 0.71 0.00 0.00 52.55 53.23 1wlo s ASP 56 Cb -0.09 0.62 0.07 0.00 1.01 0.00 0.00 42.92 44.53 1wlo s ASP 56 CO 0.09 -1.07 -0.02 -0.69 0.21 0.00 0.00 175.17 173.69 1wlo s VAL 57 N -3.81 2.56 -0.48 -1.27 1.01 -1.26 0.19 120.40 117.33 1wlo s VAL 57 Ca 0.05 -1.71 -0.13 0.00 0.00 0.00 0.00 61.98 60.19 1wlo s VAL 57 Cb -0.02 -2.58 0.10 0.00 0.00 0.00 0.00 36.38 33.88 1wlo s VAL 57 CO -0.07 -0.21 0.39 -1.61 0.00 0.00 0.00 175.10 173.60 1wlo s GLU 58 N 1.12 2.81 0.00 2.72 0.41 -0.98 -4.80 118.70 119.97 1wlo s GLU 58 Ca -0.03 -1.56 0.00 0.00 -0.41 0.00 0.00 54.97 52.97 1wlo s GLU 58 Cb -0.20 -4.07 0.00 0.00 -1.78 0.00 0.00 34.13 28.08 1wlo s GLU 58 CO -0.04 -1.14 0.00 0.41 -0.49 0.00 0.00 175.26 174.00 1wlo n GLY 59 N 5.10 2.34 0.71 -1.39 0.00 -1.26 -3.08 105.19 107.61 1wlo n GLY 59 Ca -0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 46.02 45.79 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 0.80 3.52 -0.02 0.00 -1.26 -5.13 105.19 103.10 1wlo n GLY 60 Ca 0.00 -0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 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 1.90 -0.11 1.61 1.02 -1.18 -4.72 119.74 118.26 1wlo s LYS 61 Ca 0.02 -2.15 -0.04 0.00 0.02 0.00 0.00 55.97 53.83 1wlo s LYS 61 Cb 0.02 -0.72 -0.03 0.00 -0.52 0.00 0.00 37.83 36.58 1wlo s LYS 61 CO -0.01 -0.42 0.03 0.08 -0.92 0.00 0.00 175.35 174.11 1wlo s VAL 62 N -3.21 4.52 -0.34 3.17 1.01 0.46 -2.32 120.40 123.69 1wlo s VAL 62 Ca 0.25 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.09 1wlo s VAL 62 Cb 0.04 -2.94 0.09 0.00 0.00 0.00 0.00 36.38 33.57 1wlo s VAL 62 CO 0.14 0.58 0.05 -0.13 0.00 0.00 0.00 175.10 175.73 1wlo s ARG 63 N -0.62 1.81 0.21 2.72 1.81 0.50 -0.97 118.95 124.40 1wlo s ARG 63 Ca 0.11 -1.72 -0.08 0.00 -1.72 0.00 0.00 55.73 52.32 1wlo s ARG 63 Cb -0.12 -3.23 -0.07 0.00 -0.45 0.00 0.00 34.95 31.09 1wlo s ARG 63 CO 0.02 -0.87 0.50 -0.51 -0.68 0.00 0.00 175.30 173.76 1wlo s LEU 64 N 1.02 4.20 -0.21 2.53 1.43 -1.26 -0.98 118.68 125.41 1wlo s LEU 64 Ca 0.05 0.83 -0.07 0.00 -1.03 0.00 0.00 54.13 53.92 1wlo s LEU 64 Cb -0.20 -3.58 0.10 0.00 0.03 0.00 0.00 46.19 42.54 1wlo s LEU 64 CO -0.06 -0.04 0.44 -0.31 0.23 0.00 0.00 176.35 176.61 1wlo s TYR 65 N -1.77 -0.85 0.18 0.29 2.02 0.76 -4.98 117.35 113.00 1wlo s TYR 65 Ca 0.46 1.60 0.11 0.00 -0.37 0.00 0.00 57.07 58.86 1wlo s TYR 65 Cb -0.11 0.35 -0.04 0.00 -0.40 0.00 0.00 41.96 41.76 1wlo s TYR 65 CO 0.22 -0.50 -0.22 -0.06 -1.57 0.00 0.00 175.55 173.41 1wlo s PHE 66 N 2.64 2.15 -0.07 2.71 0.40 -1.26 -0.37 117.98 124.19 1wlo s PHE 66 Ca -0.02 -0.39 -0.03 0.00 -0.60 0.00 0.00 56.93 55.89 1wlo s PHE 66 Cb -0.12 -1.08 0.04 0.00 0.51 0.00 0.00 43.02 42.38 1wlo s PHE 66 CO -0.13 0.44 0.14 -1.58 0.70 0.00 0.00 175.22 174.78 1wlo s HIS 67 N -1.72 -0.14 -0.21 0.36 2.46 0.05 -4.15 115.29 111.94 1wlo s HIS 67 Ca 0.19 0.53 -0.00 0.00 0.47 0.00 0.00 55.06 56.24 1wlo s HIS 67 Cb -0.08 -0.24 0.06 0.00 -0.13 0.00 0.00 32.58 32.19 1wlo s HIS 67 CO 0.09 -0.23 -0.04 0.08 -2.47 0.00 0.00 174.74 172.17 1wlo s VAL 68 N 1.98 1.23 0.00 0.89 1.01 -1.26 -2.15 120.40 122.10 1wlo s VAL 68 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.03 1wlo s VAL 68 Cb -0.12 -1.53 0.00 0.00 0.00 0.00 0.00 36.38 34.73 1wlo s VAL 68 CO -0.05 -0.07 0.25 -0.81 0.00 0.00 0.00 175.10 174.42 1wlo n PRO 69 N 4.79 0.00 -0.70 2.72 -0.04 -1.26 -3.57 135.00 136.94 1wlo n PRO 69 Ca -0.11 0.48 0.53 0.00 -0.04 0.00 0.00 63.50 64.36 1wlo n PRO 69 Cb 0.46 -1.11 0.81 0.00 -0.04 0.00 0.00 33.50 33.62 1wlo n PRO 69 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1wlo n ASP 70 N -1.95 0.00 -2.33 3.54 -0.08 -1.26 -4.75 116.55 109.72 1wlo n ASP 70 Ca 0.00 0.99 -0.08 0.00 -1.51 0.00 0.00 54.79 54.20 1wlo n ASP 70 Cb 0.00 -0.50 0.04 0.00 2.34 0.00 0.00 41.12 43.00 1wlo n ASP 70 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1wlo n GLU 71 N -3.92 -1.50 -2.95 -0.67 1.02 -1.23 -5.00 120.64 106.38 1wlo n GLU 71 Ca 0.44 0.43 -0.40 0.00 -0.02 0.00 0.00 57.16 57.61 1wlo n GLU 71 Cb 2.00 -3.73 -0.05 0.00 -0.02 0.00 0.00 31.44 29.63 1wlo n GLU 71 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wlo s ALA 72 N -3.19 3.35 0.18 0.62 0.00 -1.26 -4.95 121.76 116.51 1wlo s ALA 72 Ca 0.19 0.31 0.11 0.00 0.00 0.00 0.00 51.96 52.56 1wlo s ALA 72 Cb -0.02 -3.03 0.23 0.00 0.00 0.00 0.00 23.12 20.30 1wlo s ALA 72 CO 0.36 0.04 1.53 -1.00 0.00 0.00 0.00 175.76 176.69 1wlo h PRO 73 N 5.75 0.00 0.00 0.00 0.13 -1.98 0.25 132.00 136.15 1wlo h PRO 73 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1wlo h PRO 73 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1wlo h PRO 73 CO 0.71 0.67 -0.56 0.00 -0.23 0.00 0.00 178.00 178.60 1wlo h THR 74 N 0.00 0.00 0.06 1.56 1.03 -1.96 -2.14 112.91 111.45 1wlo h THR 74 Ca -0.01 -0.52 -0.37 0.00 -0.01 0.00 0.00 66.41 65.50 1wlo h THR 74 Cb 1.27 1.15 -0.04 0.00 -1.07 0.00 0.00 68.15 69.46 1wlo h THR 74 CO 0.09 0.00 -2.11 0.52 -0.01 0.00 0.00 175.52 174.01 1wlo n VAL 75 N -2.17 1.63 -0.05 0.00 0.31 -1.13 -4.11 118.33 112.80 1wlo n VAL 75 Ca 0.03 -0.52 -0.15 0.00 -0.01 0.00 0.00 64.34 63.70 1wlo n VAL 75 Cb 0.45 -1.69 -0.07 0.00 -0.91 0.00 0.00 33.84 31.61 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 -0.21 0.53 -0.34 5.55 3.64 -0.63 -2.90 116.57 122.22 1wlo h LYS 76 Ca -0.49 -0.35 0.03 0.00 -1.27 0.00 0.00 60.65 58.57 1wlo h LYS 76 Cb 1.85 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 33.68 1wlo h LYS 76 CO -0.06 0.96 -0.23 0.00 -2.27 0.00 0.00 179.45 177.85 1wlo h ALA 77 N 0.57 -0.28 0.04 5.00 0.00 -1.57 0.60 119.26 123.61 1wlo h ALA 77 Ca 0.00 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1wlo h ALA 77 Cb 0.96 1.08 -0.05 0.00 0.00 0.00 0.00 17.79 19.78 1wlo h ALA 77 CO 0.08 -0.44 -0.53 0.35 0.00 0.00 0.00 179.25 178.71 1wlo h PHE 78 N -0.04 -1.54 -0.94 0.00 3.57 -1.71 0.13 116.94 116.41 1wlo h PHE 78 Ca 0.05 0.05 0.24 0.00 3.53 0.00 0.00 57.97 61.84 1wlo h PHE 78 Cb 0.18 0.67 -0.17 0.00 2.79 0.00 0.00 35.95 39.41 1wlo h PHE 78 CO -0.90 -0.58 -0.00 0.00 -2.23 0.00 0.00 178.31 174.60 1wlo h ALA 79 N -0.43 1.04 -0.18 2.41 0.00 -1.07 2.23 119.26 123.26 1wlo h ALA 79 Ca 0.01 0.32 -0.06 0.00 0.00 0.00 0.00 54.91 55.18 1wlo h ALA 79 Cb 0.74 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1wlo h ALA 79 CO -0.33 -0.52 -0.18 0.78 0.00 0.00 0.00 179.25 179.01 1wlo h GLY 80 N 0.03 0.32 1.66 0.00 0.00 0.16 -2.00 103.07 103.24 1wlo h GLY 80 Ca 0.55 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.66 1wlo h GLY 80 CO -0.88 0.20 0.19 -2.00 0.00 0.00 0.00 176.54 174.05 1wlo h LEU 81 N 0.27 0.40 0.06 3.11 5.85 0.63 0.88 115.31 126.51 1wlo h LEU 81 Ca 0.05 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1wlo h LEU 81 Cb 0.48 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1wlo h LEU 81 CO 0.03 0.32 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.35 1wlo h LEU 82 N 0.46 -0.07 -0.29 2.25 -0.00 -0.49 -2.78 115.31 114.39 1wlo h LEU 82 Ca 0.12 -0.38 0.00 0.00 -0.00 0.00 0.00 57.88 57.62 1wlo h LEU 82 Cb 0.01 0.02 0.00 0.00 -0.00 0.00 0.00 40.66 40.68 1wlo h LEU 82 CO -0.02 0.35 0.00 -1.14 -0.00 0.00 0.00 178.44 177.63 1wlo n ARG 83 N -4.93 0.12 -0.06 1.13 0.63 -0.88 -2.30 116.66 110.37 1wlo n ARG 83 Ca -0.08 0.29 -0.04 0.00 -0.92 0.00 0.00 57.85 57.09 1wlo n ARG 83 Cb 0.23 -1.70 0.17 0.00 0.45 0.00 0.00 32.46 31.62 1wlo n ARG 83 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 1wlo h GLU 84 N 0.00 0.67 -1.53 -0.14 -0.00 0.11 -3.27 114.58 110.42 1wlo h GLU 84 Ca 0.00 -0.21 -0.42 0.00 -0.00 0.00 0.00 59.36 58.73 1wlo h GLU 84 Cb 0.40 -0.06 -0.39 0.00 -0.00 0.00 0.00 28.75 28.70 1wlo h GLU 84 CO 0.00 0.76 -1.15 0.41 -0.00 0.00 0.00 179.01 179.03 1wlo n GLY 85 N -0.52 2.70 1.73 1.06 0.00 -1.08 -4.71 105.19 104.37 1wlo n GLY 85 Ca 0.01 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.58 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 0.14 0.00 -4.67 0.99 4.77 -0.97 -3.93 117.00 113.33 1wlo n LEU 86 Ca 0.18 0.00 -0.48 0.00 -0.03 0.00 0.00 56.01 55.68 1wlo n LEU 86 Cb 0.72 0.35 -0.05 0.00 -2.33 0.00 0.00 43.42 42.11 1wlo n LEU 86 CO 0.22 -0.43 1.33 1.21 -1.33 0.00 0.00 177.39 178.39 1wlo n GLU 87 N -2.36 2.03 0.00 3.23 2.13 -1.23 0.52 120.64 124.96 1wlo n GLU 87 Ca 0.00 0.74 0.00 0.00 0.66 0.00 0.00 57.16 58.56 1wlo n GLU 87 Cb 0.00 -2.53 0.00 0.00 0.27 0.00 0.00 31.44 29.18 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 3.91 1.41 1.56 8.31 0.00 -0.15 -4.96 105.19 115.27 1wlo n GLY 88 Ca 0.21 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.95 -3.09 1.61 -0.58 0.19 -4.25 120.64 111.56 1wlo n GLU 89 Ca 0.00 -0.82 -0.24 0.00 -0.42 0.00 0.00 57.16 55.68 1wlo n GLU 89 Cb 0.00 -0.60 0.00 0.00 -0.57 0.00 0.00 31.44 30.27 1wlo n GLU 89 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1wlo s SER 90 N -2.94 6.09 0.06 1.62 1.04 -1.26 0.17 113.70 118.49 1wlo s SER 90 Ca 0.31 0.47 0.23 0.00 0.48 0.00 0.00 55.95 57.43 1wlo s SER 90 Cb -0.01 -1.86 0.92 0.00 0.10 0.00 0.00 66.02 65.17 1wlo s SER 90 CO 0.22 -0.52 1.71 -0.81 0.98 0.00 0.00 173.24 174.83 1wlo n PRO 91 N -1.99 0.06 -0.06 4.02 -0.04 -1.26 -2.06 135.00 133.66 1wlo n PRO 91 Ca -0.01 0.18 -0.17 0.00 -0.04 0.00 0.00 63.50 63.46 1wlo n PRO 91 Cb 0.57 -1.59 -0.14 0.00 -0.04 0.00 0.00 33.50 32.30 1wlo n PRO 91 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1wlo n GLU 92 N -1.70 0.69 0.09 0.54 1.02 -1.26 -3.18 120.64 116.84 1wlo n GLU 92 Ca 0.05 0.19 0.12 0.00 -0.02 0.00 0.00 57.16 57.50 1wlo n GLU 92 Cb 0.28 -1.63 0.45 0.00 -0.02 0.00 0.00 31.44 30.52 1wlo n GLU 92 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wlo n ALA 93 N -2.99 2.03 -0.00 0.62 0.00 -1.16 -1.33 120.51 117.68 1wlo n ALA 93 Ca -0.35 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 52.93 1wlo n ALA 93 Cb 1.04 -1.42 -0.14 0.00 0.00 0.00 0.00 19.45 18.93 1wlo n ALA 93 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1wlo n VAL 94 N -2.11 1.72 0.01 0.00 0.31 -0.88 -3.79 118.33 113.60 1wlo n VAL 94 Ca 0.04 -0.71 -0.14 0.00 -0.01 0.00 0.00 64.34 63.52 1wlo n VAL 94 Cb 0.33 -1.48 -0.03 0.00 -0.91 0.00 0.00 33.84 31.76 1wlo n VAL 94 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1wlo h LEU 95 N 0.05 0.76 -1.72 7.52 -0.00 -1.48 -2.79 115.31 117.64 1wlo h LEU 95 Ca -0.37 -0.50 0.00 0.00 -0.00 0.00 0.00 57.88 57.01 1wlo h LEU 95 Cb 2.03 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 42.47 1wlo h LEU 95 CO 0.09 1.27 0.09 1.05 -0.00 0.00 0.00 178.44 180.94 1wlo h GLU 96 N 0.43 0.00 -6.13 1.13 4.11 -1.36 -3.40 114.58 109.36 1wlo h GLU 96 Ca -0.04 0.00 -0.57 0.00 0.07 0.00 0.00 59.36 58.81 1wlo h GLU 96 Cb 1.37 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.58 1wlo h GLU 96 CO 0.15 0.00 0.87 0.08 0.07 0.00 0.00 179.01 180.18 1wlo s VAL 97 N -3.69 4.38 0.84 -1.06 1.01 -1.06 -4.11 120.40 116.72 1wlo s VAL 97 Ca -0.03 1.67 -0.12 0.00 0.00 0.00 0.00 61.98 63.50 1wlo s VAL 97 Cb 0.07 -4.08 0.09 0.00 0.00 0.00 0.00 36.38 32.47 1wlo s VAL 97 CO 0.23 -0.14 1.11 -2.16 0.00 0.00 0.00 175.10 174.14 1wlo s PRO 98 N 3.39 1.74 0.00 2.72 0.04 -1.26 -4.92 135.00 136.70 1wlo s PRO 98 Ca 0.52 0.51 0.24 0.00 0.04 0.00 0.00 61.00 62.31 1wlo s PRO 98 Cb -0.20 -1.89 1.43 0.00 0.04 0.00 0.00 34.50 33.88 1wlo s PRO 98 CO 0.13 -1.83 1.80 -0.35 0.04 0.00 0.00 177.00 176.78 1wlo n PRO 99 N -3.55 0.75 -2.10 0.56 -0.04 -1.26 -2.80 135.00 126.55 1wlo n PRO 99 Ca 0.07 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.51 1wlo n PRO 99 Cb 0.57 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.59 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 0.50 2.60 0.26 0.55 0.00 -1.26 -4.75 105.19 103.09 1wlo n GLY 100 Ca 0.18 -1.27 0.11 0.00 0.00 0.00 0.00 46.02 45.04 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 1.92 0.00 -0.00 1.61 -5.15 -1.90 -0.51 116.94 112.91 1wlo h PHE 101 Ca -0.07 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.70 1wlo h PHE 101 Cb 1.47 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.64 1wlo h PHE 101 CO 0.49 0.13 -0.02 2.48 -2.00 0.00 0.00 178.31 179.38 1wlo n TYR 102 N -3.79 0.00 -1.58 6.09 0.18 -1.26 -4.88 117.16 111.92 1wlo n TYR 102 Ca -0.02 0.00 -0.40 0.00 1.88 0.00 0.00 57.90 59.36 1wlo n TYR 102 Cb 0.23 -0.48 0.03 0.00 -0.38 0.00 0.00 39.34 38.74 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 -1.49 1.05 -3.16 -3.48 1.74 -0.20 -3.65 116.66 107.47 1wlo n ARG 103 Ca 0.07 0.39 -0.15 0.00 -0.77 0.00 0.00 57.85 57.39 1wlo n ARG 103 Cb 0.34 -2.00 0.01 0.00 -1.02 0.00 0.00 32.46 29.79 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 1.34 -0.97 0.89 -0.13 0.00 -1.26 -4.88 105.19 100.18 1wlo n GLY 104 Ca 0.11 0.99 0.00 0.00 0.00 0.00 0.00 46.02 47.12 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 -0.88 -1.20 0.00 1.61 4.01 -1.24 -5.03 117.16 114.42 1wlo n TYR 105 Ca -0.01 0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 1wlo n TYR 105 Cb 0.55 0.30 0.00 0.00 -0.31 0.00 0.00 39.34 39.88 1wlo n TYR 105 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1wlo n GLY 106 N -1.22 1.24 0.69 2.72 0.00 -1.26 -4.48 105.19 102.87 1wlo n GLY 106 Ca 0.00 -0.06 0.52 0.00 0.00 0.00 0.00 46.02 46.48 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 0.01 0.28 0.99 7.99 -1.26 0.13 117.00 125.14 1wlo n LEU 107 Ca 0.00 1.00 -0.18 0.00 -0.01 0.00 0.00 56.01 56.82 1wlo n LEU 107 Cb 0.00 -0.50 -0.10 0.00 -0.11 0.00 0.00 43.42 42.71 1wlo n LEU 107 CO 0.00 -1.01 0.53 -0.33 -1.51 0.00 0.00 177.39 175.07 1wlo h GLU 108 N 0.00 -0.95 0.05 3.23 5.08 -1.85 0.33 114.58 120.48 1wlo h GLU 108 Ca 0.92 0.06 -0.27 0.00 -1.00 0.00 0.00 59.36 59.08 1wlo h GLU 108 Cb 3.67 0.22 -0.02 0.00 0.50 0.00 0.00 28.75 33.11 1wlo h GLU 108 CO -0.04 -0.63 -1.39 1.05 -1.00 0.00 0.00 179.01 177.00 1wlo h GLU 109 N -0.99 0.11 -0.26 2.33 -0.00 -0.01 0.24 114.58 116.01 1wlo h GLU 109 Ca -0.06 -0.20 0.03 0.00 -0.00 0.00 0.00 59.36 59.14 1wlo h GLU 109 Cb 0.87 0.07 -0.03 0.00 -0.00 0.00 0.00 28.75 29.66 1wlo h GLU 109 CO -0.08 0.94 0.08 0.74 -0.00 0.00 0.00 179.01 180.69 1wlo h PHE 110 N 0.03 0.14 -0.19 2.06 0.04 0.11 -2.94 116.94 116.18 1wlo h PHE 110 Ca -0.17 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.61 1wlo h PHE 110 Cb 1.93 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 40.06 1wlo h PHE 110 CO 0.03 0.06 0.00 1.19 -0.60 0.00 0.00 178.31 178.99 1wlo n PHE 111 N -5.05 0.51 -1.20 -0.55 3.72 0.12 -5.01 117.46 110.01 1wlo n PHE 111 Ca -0.01 -0.78 0.13 0.00 -0.05 0.00 0.00 57.45 56.75 1wlo n PHE 111 Cb 0.10 -0.18 -0.06 0.00 -0.94 0.00 0.00 39.48 38.40 1wlo n PHE 111 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1wlo n THR 112 N -0.49 -0.23 0.78 4.37 -2.24 0.84 -2.56 114.28 114.75 1wlo n THR 112 Ca 0.15 0.47 0.11 0.00 -2.27 0.00 0.00 64.05 62.51 1wlo n THR 112 Cb 0.66 -0.82 0.48 0.00 -2.10 0.00 0.00 70.33 68.54 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 -3.78 0.03 -0.01 -0.78 -0.04 -1.14 -2.95 135.00 126.33 1wlo n PRO 113 Ca -0.04 0.12 -0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1wlo n PRO 113 Cb 0.59 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.55 1wlo n PRO 113 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1wlo h LEU 114 N 0.00 0.00 -1.51 1.53 5.85 -1.89 -3.00 115.31 116.29 1wlo h LEU 114 Ca 0.00 0.00 0.34 0.00 0.84 0.00 0.00 57.88 59.06 1wlo h LEU 114 Cb 0.36 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 1wlo h LEU 114 CO 0.00 0.06 1.11 -0.09 -0.34 0.00 0.00 178.44 179.18 1wlo h ARG 115 N -0.08 0.00 0.11 1.25 9.65 -1.59 0.65 114.38 124.37 1wlo h ARG 115 Ca 0.00 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 1wlo h ARG 115 Cb 0.03 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.61 1wlo h ARG 115 CO 0.00 0.00 -0.05 -0.07 2.80 0.00 0.00 179.97 182.65 1wlo h LEU 116 N 0.00 -0.13 -0.92 3.80 3.38 -1.50 -2.02 115.31 117.93 1wlo h LEU 116 Ca 0.55 -0.34 0.34 0.00 0.09 0.00 0.00 57.88 58.52 1wlo h LEU 116 Cb 2.76 0.03 -0.17 0.00 0.09 0.00 0.00 40.66 43.38 1wlo h LEU 116 CO -0.01 0.48 0.33 0.54 0.09 0.00 0.00 178.44 179.88 1wlo n ARG 117 N -4.85 -0.06 0.04 1.13 1.74 0.22 0.18 116.66 115.07 1wlo n ARG 117 Ca -0.06 1.30 -0.20 0.00 -0.77 0.00 0.00 57.85 58.12 1wlo n ARG 117 Cb 0.23 -2.25 -0.11 0.00 -1.02 0.00 0.00 32.46 29.31 1wlo n ARG 117 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1wlo h GLY 118 N 0.00 0.67 0.94 -0.13 0.00 -1.52 -3.30 103.07 99.73 1wlo h GLY 118 Ca 0.70 -1.24 -0.00 0.00 0.00 0.00 0.00 47.33 46.80 1wlo h GLY 118 CO -0.76 1.09 0.10 1.41 0.00 0.00 0.00 176.54 178.38 1wlo h LEU 119 N 0.21 0.22 -0.91 3.11 3.38 0.26 -2.66 115.31 118.93 1wlo h LEU 119 Ca -0.13 -0.08 0.24 0.00 0.09 0.00 0.00 57.88 58.00 1wlo h LEU 119 Cb 1.65 -0.06 -0.17 0.00 0.09 0.00 0.00 40.66 42.17 1wlo h LEU 119 CO 0.19 0.24 -0.02 -0.62 0.09 0.00 0.00 178.44 178.32 1wlo n GLU 120 N -4.91 -0.07 -0.28 1.13 1.02 0.39 0.18 120.64 118.10 1wlo n GLU 120 Ca -0.04 1.37 0.05 0.00 -0.02 0.00 0.00 57.16 58.52 1wlo n GLU 120 Cb 0.07 -2.16 0.14 0.00 -0.02 0.00 0.00 31.44 29.47 1wlo n GLU 120 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wlo h ALA 121 N 1.82 0.68 -0.48 0.62 0.00 -1.57 0.46 119.26 120.79 1wlo h ALA 121 Ca 0.53 0.29 0.04 0.00 0.00 0.00 0.00 54.91 55.78 1wlo h ALA 121 Cb 1.06 0.55 -0.06 0.00 0.00 0.00 0.00 17.79 19.34 1wlo h ALA 121 CO -0.87 -0.43 -0.29 0.00 0.00 0.00 0.00 179.25 177.66 1wlo h ALA 122 N 1.79 -0.29 0.48 0.00 0.00 0.18 1.47 119.26 122.90 1wlo h ALA 122 Ca 0.42 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.37 1wlo h ALA 122 Cb 0.70 1.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 1wlo h ALA 122 CO -0.79 -0.49 -0.42 1.25 0.00 0.00 0.00 179.25 178.80 1wlo h LEU 123 N -0.01 -1.13 -0.95 0.00 7.12 -1.11 0.21 115.31 119.43 1wlo h LEU 123 Ca 0.08 0.08 0.31 0.00 0.13 0.00 0.00 57.88 58.49 1wlo h LEU 123 Cb 0.21 0.36 -0.17 0.00 -0.53 0.00 0.00 40.66 40.53 1wlo h LEU 123 CO -0.46 -0.58 0.22 0.18 -0.13 0.00 0.00 178.44 177.67 1wlo n LEU 124 N -4.99 0.07 0.28 2.25 4.77 -0.03 0.16 117.00 119.50 1wlo n LEU 124 Ca -0.11 1.59 -0.11 0.00 -0.03 0.00 0.00 56.01 57.35 1wlo n LEU 124 Cb 0.39 -0.66 -0.05 0.00 -2.33 0.00 0.00 43.42 40.77 1wlo n LEU 124 CO 0.24 -1.68 0.37 0.03 -1.33 0.00 0.00 177.39 175.02 1wlo h ARG 125 N 0.00 -0.70 -0.81 3.23 3.08 0.30 -2.79 114.38 116.67 1wlo h ARG 125 Ca 0.67 0.05 0.12 0.00 0.07 0.00 0.00 59.98 60.88 1wlo h ARG 125 Cb 1.56 0.16 -0.13 0.00 0.08 0.00 0.00 29.97 31.64 1wlo h ARG 125 CO -0.83 -0.47 -0.43 -0.07 -1.07 0.00 0.00 179.97 177.10 1wlo h LEU 126 N -0.95 -1.54 -1.25 3.04 3.38 0.26 1.44 115.31 119.68 1wlo h LEU 126 Ca -0.07 0.28 0.33 0.00 0.09 0.00 0.00 57.88 58.51 1wlo h LEU 126 Cb 0.56 0.74 -0.12 0.00 0.09 0.00 0.00 40.66 41.93 1wlo h LEU 126 CO 0.12 -0.30 0.69 1.56 0.09 0.00 0.00 178.44 180.61 1wlo h GLN 127 N -0.09 0.28 -0.20 1.13 4.20 -0.32 1.23 115.11 121.34 1wlo h GLN 127 Ca 0.25 -0.02 -0.21 0.00 0.06 0.00 0.00 58.65 58.73 1wlo h GLN 127 Cb 0.55 -0.06 0.01 0.00 0.30 0.00 0.00 27.48 28.28 1wlo h GLN 127 CO -0.85 0.18 -0.71 0.00 -0.67 0.00 0.00 178.83 176.79 1wlo h ALA 128 N 1.69 0.36 -0.11 3.87 0.00 0.21 0.18 119.26 125.45 1wlo h ALA 128 Ca 0.71 -0.57 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1wlo h ALA 128 Cb 1.87 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 1wlo h ALA 128 CO -0.44 0.68 -0.13 1.96 0.00 0.00 0.00 179.25 181.33 1wlo h GLN 129 N 0.59 0.17 0.08 0.00 4.20 0.39 -2.19 115.11 118.35 1wlo h GLN 129 Ca -0.03 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 1wlo h GLN 129 Cb 1.33 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.09 1wlo h GLN 129 CO 0.15 0.31 -0.04 0.28 -0.67 0.00 0.00 178.83 178.86 1wlo h VAL 130 N 0.17 0.22 -1.29 -0.54 2.07 -0.12 -3.19 116.25 113.57 1wlo h VAL 130 Ca 0.03 -1.07 0.44 0.00 0.82 0.00 0.00 66.70 66.93 1wlo h VAL 130 Cb 0.33 0.41 -0.14 0.00 -1.52 0.00 0.00 31.29 30.37 1wlo h VAL 130 CO 0.02 0.07 0.81 0.03 0.02 0.00 0.00 177.57 178.52 1wlo h ARG 131 N -1.02 0.05 -0.28 1.57 3.08 -0.91 1.77 114.38 118.65 1wlo h ARG 131 Ca -0.01 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 1wlo h ARG 131 Cb 0.19 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1wlo h ARG 131 CO 0.02 0.03 0.12 -0.22 -1.07 0.00 0.00 179.97 178.85 1wlo h LYS 132 N 0.05 0.42 -0.48 0.04 3.11 -1.46 -2.73 116.57 115.53 1wlo h LYS 132 Ca 0.85 -0.07 0.09 0.00 -2.81 0.00 0.00 60.65 58.70 1wlo h LYS 132 Cb 2.60 -0.07 -0.08 0.00 -1.00 0.00 0.00 32.23 33.68 1wlo h LYS 132 CO -0.49 0.44 -0.00 0.00 -2.81 0.00 0.00 179.45 176.58 1wlo h ALA 133 N 0.96 0.44 -0.98 5.00 0.00 0.27 1.51 119.26 126.47 1wlo h ALA 133 Ca 0.09 0.14 0.32 0.00 0.00 0.00 0.00 54.91 55.47 1wlo h ALA 133 Cb 0.17 0.25 -0.16 0.00 0.00 0.00 0.00 17.79 18.05 1wlo h ALA 133 CO -0.01 -0.39 0.46 -0.07 0.00 0.00 0.00 179.25 179.25 1wlo h LEU 134 N 0.11 0.32 0.00 0.00 4.07 -1.07 0.89 115.31 119.63 1wlo h LEU 134 Ca 0.24 0.21 -0.20 0.00 0.08 0.00 0.00 57.88 58.21 1wlo h LEU 134 Cb 0.36 0.21 -0.03 0.00 1.08 0.00 0.00 40.66 42.27 1wlo h LEU 134 CO -0.40 -0.21 -1.46 0.00 -1.08 0.00 0.00 178.44 175.29 1wlo h THR 135 N 0.22 0.63 0.00 0.22 1.03 -0.63 -3.52 112.91 110.86 1wlo h THR 135 Ca 0.71 -2.22 0.00 0.00 -0.01 0.00 0.00 66.41 64.89 1wlo h THR 135 Cb 1.64 2.17 0.00 0.00 -1.07 0.00 0.00 68.15 70.89 1wlo h THR 135 CO -0.67 0.36 0.00 -0.24 -0.01 0.00 0.00 175.52 174.96