#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wlo s VAL 2 N 0.00 0.00 1.01 1.12 1.01 -1.26 -3.20 120.40 119.09 1wlo s VAL 2 Ca 0.00 -0.04 -0.16 0.00 0.00 0.00 0.00 61.98 61.79 1wlo s VAL 2 Cb 0.00 -0.61 0.20 0.00 0.00 0.00 0.00 36.38 35.97 1wlo s VAL 2 CO 0.00 -0.02 1.19 -2.16 0.00 0.00 0.00 175.10 174.10 1wlo s PRO 3 N 0.06 0.27 -0.06 2.72 0.04 -1.26 -4.82 135.00 131.95 1wlo s PRO 3 Ca -0.01 -0.03 -0.11 0.00 0.04 0.00 0.00 61.00 60.88 1wlo s PRO 3 Cb -0.03 -1.77 -0.07 0.00 0.04 0.00 0.00 34.50 32.67 1wlo s PRO 3 CO 0.01 -2.72 0.44 -1.00 0.04 0.00 0.00 177.00 173.77 1wlo h PRO 4 N -1.87 -0.30 -1.18 0.56 0.13 -1.96 0.15 132.00 127.53 1wlo h PRO 4 Ca -0.47 0.02 0.40 0.00 -0.87 0.00 0.00 66.00 65.08 1wlo h PRO 4 Cb 1.29 0.07 -0.11 0.00 0.13 0.00 0.00 31.00 32.38 1wlo h PRO 4 CO 0.46 -0.14 0.77 1.63 -0.23 0.00 0.00 178.00 180.49 1wlo n LYS 5 N -4.98 -0.03 -0.03 0.86 5.02 -1.26 0.19 118.16 117.93 1wlo n LYS 5 Ca -0.05 1.00 -0.01 0.00 -2.02 0.00 0.00 58.31 57.23 1wlo n LYS 5 Cb 0.15 -2.01 -0.00 0.00 -0.02 0.00 0.00 35.03 33.15 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 -1.81 -0.35 7.12 -1.66 -3.32 115.31 115.28 1wlo h LEU 6 Ca 0.72 0.00 0.55 0.00 0.13 0.00 0.00 57.88 59.28 1wlo h LEU 6 Cb 2.40 0.00 -0.10 0.00 -0.53 0.00 0.00 40.66 42.43 1wlo h LEU 6 CO -0.33 0.32 1.26 0.50 -0.13 0.00 0.00 178.44 180.05 1wlo h LYS 7 N -0.47 0.00 0.72 1.25 3.64 0.18 0.84 116.57 122.73 1wlo h LYS 7 Ca 0.00 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1wlo h LYS 7 Cb 0.16 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1wlo h LYS 7 CO 0.00 0.00 -0.36 0.37 -2.27 0.00 0.00 179.45 177.19 1wlo h GLN 8 N 0.00 -0.96 0.07 1.90 -0.00 0.20 0.19 115.11 116.51 1wlo h GLN 8 Ca 0.92 0.07 0.00 0.00 -0.00 0.00 0.00 58.65 59.64 1wlo h GLN 8 Cb 3.50 0.22 -0.01 0.00 0.00 0.00 0.00 27.48 31.18 1wlo h GLN 8 CO -0.15 -0.64 -0.17 0.00 0.00 0.00 0.00 178.83 177.87 1wlo h ALA 9 N -0.72 -0.74 -0.43 3.38 0.00 0.61 0.44 119.26 121.79 1wlo h ALA 9 Ca -0.10 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.81 1wlo h ALA 9 Cb 0.77 0.56 -0.06 0.00 0.00 0.00 0.00 17.79 19.06 1wlo h ALA 9 CO 0.15 -0.78 -0.32 -0.07 0.00 0.00 0.00 179.25 178.23 1wlo h LEU 10 N -0.27 -1.15 -0.85 0.00 3.38 -1.49 1.07 115.31 116.01 1wlo h LEU 10 Ca -0.01 0.17 0.18 0.00 0.09 0.00 0.00 57.88 58.31 1wlo h LEU 10 Cb 0.26 0.49 -0.16 0.00 0.09 0.00 0.00 40.66 41.35 1wlo h LEU 10 CO -0.08 -0.17 -0.14 -0.33 0.09 0.00 0.00 178.44 177.81 1wlo h GLU 11 N -0.09 0.02 -0.48 1.13 5.08 -0.41 1.60 114.58 121.43 1wlo h GLU 11 Ca 0.07 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1wlo h GLU 11 Cb 0.27 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1wlo h GLU 11 CO -0.45 0.01 0.19 1.25 -1.00 0.00 0.00 179.01 179.01 1wlo h LEU 12 N 0.02 0.63 0.50 1.33 5.85 0.36 -0.71 115.31 123.29 1wlo h LEU 12 Ca 0.43 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 59.06 1wlo h LEU 12 Cb 0.72 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.59 1wlo h LEU 12 CO -0.84 0.57 -0.25 0.15 -0.34 0.00 0.00 178.44 177.73 1wlo h PHE 13 N 0.69 -0.65 0.00 1.25 3.57 1.03 1.56 116.94 124.39 1wlo h PHE 13 Ca 0.17 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1wlo h PHE 13 Cb 0.14 0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.10 1wlo h PHE 13 CO 0.01 -0.40 0.10 -0.22 -2.23 0.00 0.00 178.31 175.57 1wlo h LYS 14 N -0.69 0.00 0.16 1.11 3.64 -0.98 0.14 116.57 119.95 1wlo h LYS 14 Ca -0.07 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 58.98 1wlo h LYS 14 Cb 0.53 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1wlo h LYS 14 CO 0.11 0.00 -1.68 1.03 -2.27 0.00 0.00 179.45 176.63 1wlo h SER 15 N 0.00 0.51 -4.29 4.20 0.87 -0.42 -3.47 113.55 110.95 1wlo h SER 15 Ca 0.00 -0.77 -0.51 0.00 -1.23 0.00 0.00 61.79 59.28 1wlo h SER 15 Cb 0.20 -0.17 0.12 0.00 -0.44 0.00 0.00 62.40 62.11 1wlo h SER 15 CO 0.00 1.65 0.33 -0.76 -0.53 0.00 0.00 176.83 177.52 1wlo s LEU 16 N -7.14 3.11 0.19 2.23 1.43 0.53 -4.98 118.68 114.05 1wlo s LEU 16 Ca -0.13 1.84 -0.30 0.00 -1.03 0.00 0.00 54.13 54.51 1wlo s LEU 16 Cb 0.06 -4.52 -0.08 0.00 0.03 0.00 0.00 46.19 41.68 1wlo s LEU 16 CO 0.85 -1.91 1.11 -2.16 0.23 0.00 0.00 176.35 174.47 1wlo s PRO 17 N -4.76 4.59 0.01 1.29 0.04 -1.26 -4.76 135.00 130.15 1wlo s PRO 17 Ca 0.62 1.75 -0.03 0.00 0.04 0.00 0.00 61.00 63.38 1wlo s PRO 17 Cb -0.17 -3.26 -0.01 0.00 0.04 0.00 0.00 34.50 31.10 1wlo s PRO 17 CO 0.53 0.07 0.79 1.17 0.04 0.00 0.00 177.00 179.60 1wlo n LYS 18 N 2.24 -0.04 -0.28 4.56 4.81 -1.26 0.52 118.16 128.71 1wlo n LYS 18 Ca 0.02 0.78 -0.05 0.00 -0.87 0.00 0.00 58.31 58.20 1wlo n LYS 18 Cb 0.46 -1.17 -0.03 0.00 0.02 0.00 0.00 35.03 34.30 1wlo n LYS 18 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1wlo n GLU 19 N -2.99 -0.25 0.33 1.64 0.00 -1.26 0.65 120.64 118.77 1wlo n GLU 19 Ca 0.00 1.06 -0.18 0.00 0.00 0.00 0.00 57.16 58.04 1wlo n GLU 19 Cb 0.02 -1.56 -0.09 0.00 0.00 0.00 0.00 31.44 29.82 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 -0.96 -0.84 -1.84 3.38 -0.39 -1.97 115.31 112.69 1wlo h LEU 20 Ca 0.16 0.06 0.35 0.00 0.09 0.00 0.00 57.88 58.54 1wlo h LEU 20 Cb 0.34 0.29 -0.15 0.00 0.09 0.00 0.00 40.66 41.22 1wlo h LEU 20 CO -0.67 -0.58 0.45 0.54 0.09 0.00 0.00 178.44 178.28 1wlo n ARG 21 N -5.51 -0.05 0.19 1.13 1.74 0.21 0.17 116.66 114.54 1wlo n ARG 21 Ca -0.12 1.14 -0.14 0.00 -0.77 0.00 0.00 57.85 57.95 1wlo n ARG 21 Cb 0.40 -2.06 -0.07 0.00 -1.02 0.00 0.00 32.46 29.71 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 -0.77 -0.40 0.55 0.87 -0.19 -0.95 113.55 112.67 1wlo h SER 22 Ca 0.71 0.07 -0.10 0.00 -1.23 0.00 0.00 61.79 61.24 1wlo h SER 22 Cb 1.88 0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 64.08 1wlo h SER 22 CO -0.63 -0.41 -0.11 0.06 -0.53 0.00 0.00 176.83 175.21 1wlo h GLN 23 N -0.60 0.85 -0.16 2.24 3.07 0.17 -3.00 115.11 117.68 1wlo h GLN 23 Ca -0.01 -0.29 0.04 0.00 0.09 0.00 0.00 58.65 58.48 1wlo h GLN 23 Cb 0.55 -0.07 -0.07 0.00 0.08 0.00 0.00 27.48 27.98 1wlo h GLN 23 CO -0.06 0.92 -0.45 0.28 0.09 0.00 0.00 178.83 179.61 1wlo h VAL 24 N 0.76 0.11 -0.90 1.86 2.07 0.25 0.38 116.25 120.78 1wlo h VAL 24 Ca 0.13 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.83 1wlo h VAL 24 Cb 0.62 0.11 -0.11 0.00 -1.52 0.00 0.00 31.29 30.39 1wlo h VAL 24 CO 0.04 0.00 0.46 -0.07 0.02 0.00 0.00 177.57 178.02 1wlo h LEU 25 N -0.50 0.51 -1.16 2.57 3.38 -1.11 0.73 115.31 119.73 1wlo h LEU 25 Ca 0.07 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1wlo h LEU 25 Cb 0.64 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 1wlo h LEU 25 CO -0.42 0.14 0.36 -0.07 0.09 0.00 0.00 178.44 178.55 1wlo h LEU 26 N 0.56 0.84 -0.30 1.67 3.38 -0.57 -2.33 115.31 118.57 1wlo h LEU 26 Ca 0.53 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.37 1wlo h LEU 26 Cb 0.87 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1wlo h LEU 26 CO -0.43 0.69 -0.02 -0.33 0.09 0.00 0.00 178.44 178.43 1wlo h GLU 27 N 0.95 0.54 -0.28 1.13 5.08 0.42 -2.06 114.58 120.37 1wlo h GLU 27 Ca 0.24 -0.18 0.08 0.00 -1.00 0.00 0.00 59.36 58.50 1wlo h GLU 27 Cb 0.04 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1wlo h GLU 27 CO -0.04 0.70 0.39 1.88 -1.00 0.00 0.00 179.01 180.94 1wlo h TYR 28 N 0.32 0.00 0.00 4.33 -1.99 -0.25 0.79 116.97 120.17 1wlo h TYR 28 Ca 0.08 0.00 -0.20 0.00 2.00 0.00 0.00 58.73 60.61 1wlo h TYR 28 Cb 0.47 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.17 1wlo h TYR 28 CO 0.04 0.00 -1.41 0.00 -0.00 0.00 0.00 178.16 176.79 1wlo h ALA 29 N 1.49 0.68 0.00 3.88 0.00 -1.20 -3.06 119.26 121.05 1wlo h ALA 29 Ca 0.13 -0.99 0.00 0.00 0.00 0.00 0.00 54.91 54.05 1wlo h ALA 29 Cb 0.90 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1wlo h ALA 29 CO -0.00 1.10 0.00 0.00 0.00 0.00 0.00 179.25 180.35 1wlo h ALA 30 N 1.29 1.00 0.04 0.00 0.00 0.12 -2.89 119.26 118.82 1wlo h ALA 30 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.43 1wlo h ALA 30 Cb 1.70 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.45 1wlo h ALA 30 CO 0.06 0.00 -1.67 0.87 0.00 0.00 0.00 179.25 178.51 1wlo h LYS 31 N 0.00 0.08 -5.42 0.00 6.56 -1.13 -3.45 116.57 113.20 1wlo h LYS 31 Ca 0.00 -0.13 -0.57 0.00 -1.06 0.00 0.00 60.65 58.89 1wlo h LYS 31 Cb 0.69 0.05 -0.05 0.00 -0.57 0.00 0.00 32.23 32.34 1wlo h LYS 31 CO 0.00 0.74 1.61 0.28 -2.06 0.00 0.00 179.45 180.02 1wlo n VAL 32 N -3.20 0.01 -1.58 0.50 0.31 -1.09 -4.87 118.33 108.41 1wlo n VAL 32 Ca -0.18 -0.16 -0.31 0.00 -0.01 0.00 0.00 64.34 63.68 1wlo n VAL 32 Cb 1.04 -1.02 0.05 0.00 -0.91 0.00 0.00 33.84 33.00 1wlo n VAL 32 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1wlo s PRO 33 N 7.93 2.95 0.51 5.55 0.04 -1.26 -5.03 135.00 145.69 1wlo s PRO 33 Ca 1.23 0.96 -0.19 0.00 0.04 0.00 0.00 61.00 63.04 1wlo s PRO 33 Cb -1.08 -1.99 -0.07 0.00 0.04 0.00 0.00 34.50 31.40 1wlo s PRO 33 CO 0.49 -1.09 1.04 -1.25 0.04 0.00 0.00 177.00 176.23 1wlo s PRO 34 N -5.02 3.70 0.52 0.56 0.04 -1.26 -4.75 135.00 128.80 1wlo s PRO 34 Ca 0.58 1.32 -0.19 0.00 0.04 0.00 0.00 61.00 62.75 1wlo s PRO 34 Cb -0.14 -2.08 -0.07 0.00 0.04 0.00 0.00 34.50 32.25 1wlo s PRO 34 CO 0.54 -0.51 1.04 -1.25 0.04 0.00 0.00 177.00 176.87 1wlo s PRO 35 N -3.43 3.65 0.58 0.56 0.04 -1.26 -5.03 135.00 130.10 1wlo s PRO 35 Ca 0.66 1.29 -0.16 0.00 0.04 0.00 0.00 61.00 62.83 1wlo s PRO 35 Cb -0.16 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 1wlo s PRO 35 CO 0.24 -0.54 1.05 -1.25 0.04 0.00 0.00 177.00 176.53 1wlo s PRO 36 N -3.55 3.43 -0.05 0.56 0.04 -1.26 -4.99 135.00 129.17 1wlo s PRO 36 Ca 0.66 1.18 -0.30 0.00 0.04 0.00 0.00 61.00 62.58 1wlo s PRO 36 Cb -0.16 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 1wlo s PRO 36 CO 0.26 -0.72 1.22 -1.25 0.04 0.00 0.00 177.00 176.55 1wlo s PRO 37 N -4.02 4.35 0.00 0.56 0.04 -1.26 -2.85 135.00 131.82 1wlo s PRO 37 Ca 0.63 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.37 1wlo s PRO 37 Cb -0.15 -3.55 0.00 0.00 0.04 0.00 0.00 34.50 30.83 1wlo s PRO 37 CO 0.35 -0.45 0.00 0.41 0.04 0.00 0.00 177.00 177.35 1wlo n GLY 38 N 3.39 2.58 3.73 0.56 0.00 -1.26 -5.07 105.19 109.11 1wlo n GLY 38 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.35 4.13 -0.16 1.61 1.01 -1.13 -5.02 120.40 118.49 1wlo s VAL 39 Ca 0.00 1.71 -0.10 0.00 0.00 0.00 0.00 61.98 63.59 1wlo s VAL 39 Cb 0.00 -4.09 -0.05 0.00 0.00 0.00 0.00 36.38 32.24 1wlo s VAL 39 CO 0.00 0.23 0.17 -0.70 0.00 0.00 0.00 175.10 174.80 1wlo s GLU 40 N 0.20 3.98 0.08 2.72 2.12 -1.26 -4.94 118.70 121.59 1wlo s GLU 40 Ca 0.51 -0.12 0.09 0.00 0.36 0.00 0.00 54.97 55.81 1wlo s GLU 40 Cb -0.27 -3.35 -0.03 0.00 0.26 0.00 0.00 34.13 30.73 1wlo s GLU 40 CO 0.32 0.44 -0.22 -0.51 -0.54 0.00 0.00 175.26 174.75 1wlo s LEU 41 N -0.07 2.46 -0.02 2.70 1.02 -1.26 -4.82 118.68 118.69 1wlo s LEU 41 Ca 0.12 -0.57 -0.03 0.00 0.02 0.00 0.00 54.13 53.67 1wlo s LEU 41 Cb -0.12 -1.40 -0.04 0.00 0.02 0.00 0.00 46.19 44.65 1wlo s LEU 41 CO 0.01 0.22 0.16 -0.70 0.02 0.00 0.00 176.35 176.07 1wlo s GLU 42 N -1.68 3.39 0.35 1.70 2.12 0.50 -4.81 118.70 120.26 1wlo s GLU 42 Ca 0.14 -0.32 -0.23 0.00 0.36 0.00 0.00 54.97 54.92 1wlo s GLU 42 Cb -0.10 -3.07 -0.10 0.00 0.26 0.00 0.00 34.13 31.11 1wlo s GLU 42 CO 0.06 0.68 0.91 0.50 -0.54 0.00 0.00 175.26 176.87 1wlo s ARG 43 N -1.81 4.40 -0.80 4.30 3.52 -1.26 -0.44 118.95 126.86 1wlo s ARG 43 Ca 0.25 1.17 -0.14 0.00 -0.13 0.00 0.00 55.73 56.89 1wlo s ARG 43 Cb -0.12 -2.58 0.21 0.00 -1.56 0.00 0.00 34.95 30.89 1wlo s ARG 43 CO 0.16 0.18 0.73 0.08 -0.81 0.00 0.00 175.30 175.65 1wlo s VAL 44 N -1.81 5.50 0.46 7.11 1.01 0.63 -4.88 120.40 128.41 1wlo s VAL 44 Ca 0.54 -2.42 0.19 0.00 0.00 0.00 0.00 61.98 60.29 1wlo s VAL 44 Cb -0.15 -4.41 0.38 0.00 0.00 0.00 0.00 36.38 32.20 1wlo s VAL 44 CO 0.20 -1.01 1.93 0.45 0.00 0.00 0.00 175.10 176.66 1wlo h HIS 45 N 7.83 0.35 -0.26 5.22 3.86 -1.91 0.46 115.15 130.70 1wlo h HIS 45 Ca 0.07 0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.37 1wlo h HIS 45 Cb 1.04 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 29.39 1wlo h HIS 45 CO 1.00 0.13 0.32 1.49 0.86 0.00 0.00 177.93 181.73 1wlo h GLU 46 N 0.29 0.00 -5.04 2.45 4.57 -1.91 -3.36 114.58 111.58 1wlo h GLU 46 Ca 0.36 0.00 -0.66 0.00 -1.18 0.00 0.00 59.36 57.88 1wlo h GLU 46 Cb 0.99 0.00 -0.29 0.00 -0.16 0.00 0.00 28.75 29.29 1wlo h GLU 46 CO -0.09 0.00 -0.75 0.00 -1.18 0.00 0.00 179.01 176.98 1wlo h GLN 48 N 7.92 0.11 -7.14 0.00 4.20 -1.78 -3.42 115.11 115.00 1wlo h GLN 48 Ca -0.41 -0.01 -0.54 0.00 0.06 0.00 0.00 58.65 57.76 1wlo h GLN 48 Cb 1.16 -0.03 0.19 0.00 0.30 0.00 0.00 27.48 29.10 1wlo h GLN 48 CO 0.61 0.07 0.24 0.25 -0.67 0.00 0.00 178.83 179.33 1wlo n THR 49 N -5.25 1.96 -1.68 -0.54 -2.24 -1.26 -4.82 114.28 100.46 1wlo n THR 49 Ca 0.07 -0.22 -0.41 0.00 -2.27 0.00 0.00 64.05 61.21 1wlo n THR 49 Cb 0.30 -1.14 -0.03 0.00 -2.10 0.00 0.00 70.33 67.36 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 -2.99 2.22 -3.39 -0.78 -0.04 -1.26 -4.79 135.00 123.95 1wlo n PRO 50 Ca 0.13 -2.39 -0.41 0.00 -0.04 0.00 0.00 63.50 60.79 1wlo n PRO 50 Cb 0.50 -3.24 -0.09 0.00 -0.04 0.00 0.00 33.50 30.63 1wlo n PRO 50 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1wlo s PHE 51 N 5.10 3.20 -0.02 0.54 5.36 -1.26 -4.38 117.98 126.53 1wlo s PHE 51 Ca 0.55 -0.11 -0.01 0.00 -0.96 0.00 0.00 56.93 56.40 1wlo s PHE 51 Cb 0.11 -2.70 -0.04 0.00 -0.34 0.00 0.00 43.02 40.05 1wlo s PHE 51 CO 0.04 -0.48 0.08 -0.06 -1.46 0.00 0.00 175.22 173.35 1wlo s PHE 52 N 2.02 3.31 0.13 10.12 0.08 -0.67 -0.27 117.98 132.70 1wlo s PHE 52 Ca 0.11 0.24 -0.06 0.00 0.12 0.00 0.00 56.93 57.34 1wlo s PHE 52 Cb -0.17 -1.76 -0.02 0.00 -0.57 0.00 0.00 43.02 40.50 1wlo s PHE 52 CO 0.12 0.56 0.17 0.14 -0.10 0.00 0.00 175.22 176.11 1wlo s VAL 53 N -1.16 0.11 -0.29 -0.44 -7.23 0.42 -1.84 120.40 109.96 1wlo s VAL 53 Ca 0.22 -1.55 -0.14 0.00 -1.81 0.00 0.00 61.98 58.69 1wlo s VAL 53 Cb -0.12 -1.78 0.14 0.00 0.56 0.00 0.00 36.38 35.17 1wlo s VAL 53 CO 0.12 -0.48 0.84 -2.28 -0.31 0.00 0.00 175.10 172.99 1wlo s HIS 54 N -3.97 -0.91 -0.05 2.82 5.04 -0.61 -0.37 115.29 117.24 1wlo s HIS 54 Ca 0.16 1.66 0.05 0.00 -1.54 0.00 0.00 55.06 55.39 1wlo s HIS 54 Cb 0.05 0.55 -0.02 0.00 0.04 0.00 0.00 32.58 33.20 1wlo s HIS 54 CO -0.02 -0.45 -0.19 0.00 -2.34 0.00 0.00 174.74 171.74 1wlo s ALA 55 N 2.20 2.46 0.21 1.58 0.00 -1.26 -2.10 121.76 124.85 1wlo s ALA 55 Ca -0.06 -1.02 -0.23 0.00 0.00 0.00 0.00 51.96 50.65 1wlo s ALA 55 Cb -0.07 -0.83 0.05 0.00 0.00 0.00 0.00 23.12 22.27 1wlo s ALA 55 CO -0.18 0.51 0.89 -0.51 0.00 0.00 0.00 175.76 176.48 1wlo s ASP 56 N -0.56 -0.16 -0.06 0.00 1.01 -0.94 -4.09 116.67 111.86 1wlo s ASP 56 Ca 0.08 -0.55 -0.01 0.00 0.71 0.00 0.00 52.55 52.78 1wlo s ASP 56 Cb -0.11 0.58 0.03 0.00 1.01 0.00 0.00 42.92 44.43 1wlo s ASP 56 CO 0.01 -1.10 0.00 0.54 0.21 0.00 0.00 175.17 174.83 1wlo s VAL 57 N -3.23 0.33 -0.35 -1.27 0.11 -1.26 0.25 120.40 114.99 1wlo s VAL 57 Ca 0.13 0.12 -0.06 0.00 -2.93 0.00 0.00 61.98 59.24 1wlo s VAL 57 Cb -0.03 -0.48 0.05 0.00 -1.53 0.00 0.00 36.38 34.39 1wlo s VAL 57 CO 0.05 0.24 0.12 -1.61 -3.33 0.00 0.00 175.10 170.57 1wlo s GLU 58 N 1.78 2.58 0.32 1.54 2.02 0.82 -4.84 118.70 122.92 1wlo s GLU 58 Ca 0.02 -1.24 0.00 0.00 0.02 0.00 0.00 54.97 53.76 1wlo s GLU 58 Cb -0.13 -3.49 0.00 0.00 0.10 0.00 0.00 34.13 30.62 1wlo s GLU 58 CO -0.04 -0.71 0.00 0.41 0.02 0.00 0.00 175.26 174.93 1wlo n GLY 59 N 4.80 2.17 0.57 -1.39 0.00 -1.26 -3.26 105.19 106.82 1wlo n GLY 59 Ca -0.12 -0.19 -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 0.00 0.80 3.08 -0.02 0.00 -1.26 -5.11 105.19 102.68 1wlo n GLY 60 Ca 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 1wlo n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wlo s LYS 61 N 0.00 0.58 0.41 1.61 1.02 -1.20 -4.72 119.74 117.44 1wlo s LYS 61 Ca 0.01 -0.88 -0.10 0.00 0.02 0.00 0.00 55.97 55.02 1wlo s LYS 61 Cb 0.01 -0.24 -0.06 0.00 -0.52 0.00 0.00 37.83 37.02 1wlo s LYS 61 CO -0.01 0.03 0.76 0.08 -0.92 0.00 0.00 175.35 175.29 1wlo s VAL 62 N -1.91 4.81 -0.15 3.17 1.01 0.57 -0.12 120.40 127.77 1wlo s VAL 62 Ca -0.05 0.56 -0.01 0.00 0.00 0.00 0.00 61.98 62.47 1wlo s VAL 62 Cb -0.06 -3.74 0.04 0.00 0.00 0.00 0.00 36.38 32.62 1wlo s VAL 62 CO -0.01 -0.54 -0.02 -0.13 0.00 0.00 0.00 175.10 174.40 1wlo s ARG 63 N -3.92 1.03 0.11 2.72 1.81 0.70 0.11 118.95 121.53 1wlo s ARG 63 Ca 0.51 -0.35 -0.01 0.00 -1.72 0.00 0.00 55.73 54.16 1wlo s ARG 63 Cb -0.10 -1.80 -0.04 0.00 -0.45 0.00 0.00 34.95 32.55 1wlo s ARG 63 CO 0.32 -0.46 0.29 -0.51 -0.68 0.00 0.00 175.30 174.26 1wlo s LEU 64 N 1.77 4.31 -0.22 2.53 1.43 -1.26 -2.23 118.68 125.02 1wlo s LEU 64 Ca 0.01 0.36 -0.08 0.00 -1.03 0.00 0.00 54.13 53.39 1wlo s LEU 64 Cb -0.15 -3.08 0.10 0.00 0.03 0.00 0.00 46.19 43.09 1wlo s LEU 64 CO -0.07 0.09 0.47 -0.31 0.23 0.00 0.00 176.35 176.76 1wlo s TYR 65 N -1.63 -0.91 -0.04 0.29 2.02 -0.89 -4.99 117.35 111.19 1wlo s TYR 65 Ca 0.37 1.69 0.04 0.00 -0.37 0.00 0.00 57.07 58.81 1wlo s TYR 65 Cb -0.12 0.41 -0.00 0.00 -0.40 0.00 0.00 41.96 41.85 1wlo s TYR 65 CO 0.27 -0.52 -0.17 -0.06 -1.57 0.00 0.00 175.55 173.51 1wlo s PHE 66 N 2.63 1.67 -0.11 2.71 0.08 -1.26 -1.57 117.98 122.13 1wlo s PHE 66 Ca -0.03 -0.46 -0.01 0.00 0.12 0.00 0.00 56.93 56.55 1wlo s PHE 66 Cb -0.12 -1.12 0.03 0.00 -0.57 0.00 0.00 43.02 41.24 1wlo s PHE 66 CO -0.14 -0.14 -0.03 -1.58 -0.10 0.00 0.00 175.22 173.22 1wlo s HIS 67 N -0.02 1.16 -0.10 0.36 2.46 -0.76 -4.53 115.29 113.86 1wlo s HIS 67 Ca -0.02 -0.57 -0.03 0.00 0.47 0.00 0.00 55.06 54.91 1wlo s HIS 67 Cb -0.11 -1.06 0.04 0.00 -0.13 0.00 0.00 32.58 31.32 1wlo s HIS 67 CO 0.02 -0.46 0.05 0.54 -2.47 0.00 0.00 174.74 172.42 1wlo s VAL 68 N 1.81 0.05 -0.08 0.89 0.11 -1.26 -1.68 120.40 120.25 1wlo s VAL 68 Ca 0.04 0.12 -0.27 0.00 -2.93 0.00 0.00 61.98 58.93 1wlo s VAL 68 Cb -0.13 -0.42 -0.23 0.00 -1.53 0.00 0.00 36.38 34.06 1wlo s VAL 68 CO -0.07 0.03 1.02 1.55 -3.33 0.00 0.00 175.10 174.30 1wlo h PRO 69 N 8.39 0.02 0.00 1.54 0.13 -2.00 -3.07 132.00 137.01 1wlo h PRO 69 Ca -0.15 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1wlo h PRO 69 Cb 1.13 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1wlo h PRO 69 CO 0.23 0.77 0.45 0.22 -0.23 0.00 0.00 178.00 179.44 1wlo h ASP 70 N -0.71 0.00 -6.59 1.44 1.82 -1.96 -3.43 116.42 106.99 1wlo h ASP 70 Ca -0.00 0.00 -0.52 0.00 -0.39 0.00 0.00 57.03 56.11 1wlo h ASP 70 Cb 0.78 0.00 -0.15 0.00 0.68 0.00 0.00 39.33 40.64 1wlo h ASP 70 CO 0.01 0.00 -0.81 -1.84 -1.61 0.00 0.00 179.24 174.99 1wlo n GLU 71 N -2.38 -4.05 -1.85 0.28 0.28 -1.16 -4.84 120.64 106.92 1wlo n GLU 71 Ca -0.01 0.46 -0.42 0.00 -0.16 0.00 0.00 57.16 57.02 1wlo n GLU 71 Cb 0.47 -5.25 -0.03 0.00 1.43 0.00 0.00 31.44 28.06 1wlo n GLU 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1wlo s ALA 72 N -3.29 3.78 -0.38 -1.84 0.00 -1.26 -4.87 121.76 113.90 1wlo s ALA 72 Ca 0.72 1.38 0.27 0.00 0.00 0.00 0.00 51.96 54.33 1wlo s ALA 72 Cb -0.38 -3.68 0.89 0.00 0.00 0.00 0.00 23.12 19.94 1wlo s ALA 72 CO 0.89 -0.98 1.78 -1.00 0.00 0.00 0.00 175.76 176.45 1wlo h PRO 73 N 7.55 0.00 0.00 0.00 0.13 -1.98 0.21 132.00 137.90 1wlo h PRO 73 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 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 0.93 0.00 -1.45 -2.37 -0.23 0.00 0.00 178.00 174.88 1wlo n THR 74 N -2.68 0.12 -0.11 1.56 5.66 -1.26 -3.25 114.28 114.32 1wlo n THR 74 Ca 0.03 -0.35 -0.25 0.00 -3.05 0.00 0.00 64.05 60.43 1wlo n THR 74 Cb 0.37 0.19 -0.11 0.00 -1.55 0.00 0.00 70.33 69.23 1wlo n THR 74 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1wlo n VAL 75 N -2.10 1.55 -0.18 1.08 0.31 -1.08 -4.28 118.33 113.63 1wlo n VAL 75 Ca -0.01 -0.25 -0.08 0.00 -0.01 0.00 0.00 64.34 63.99 1wlo n VAL 75 Cb 0.49 -1.92 0.01 0.00 -0.91 0.00 0.00 33.84 31.52 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 -0.85 0.78 -0.20 5.55 3.64 -0.80 -3.02 116.57 121.68 1wlo h LYS 76 Ca -0.51 -0.15 0.02 0.00 -1.27 0.00 0.00 60.65 58.74 1wlo h LYS 76 Cb 1.52 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 33.20 1wlo h LYS 76 CO -0.26 0.70 -0.12 0.00 -2.27 0.00 0.00 179.45 177.50 1wlo n ALA 77 N -2.35 -0.13 -0.09 5.00 0.00 -1.20 0.14 120.51 121.89 1wlo n ALA 77 Ca 0.02 0.17 -0.10 0.00 0.00 0.00 0.00 53.44 53.52 1wlo n ALA 77 Cb 0.17 0.30 -0.05 0.00 0.00 0.00 0.00 19.45 19.87 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 -1.19 -0.38 0.00 3.57 -1.73 0.15 116.94 117.36 1wlo h PHE 78 Ca 0.03 0.06 0.07 0.00 3.53 0.00 0.00 57.97 61.66 1wlo h PHE 78 Cb 0.08 0.57 -0.09 0.00 2.79 0.00 0.00 35.95 39.30 1wlo h PHE 78 CO -0.82 -0.44 -0.40 0.00 -2.23 0.00 0.00 178.31 174.41 1wlo h ALA 79 N 0.37 -0.38 -0.77 2.41 0.00 -0.68 0.51 119.26 120.71 1wlo h ALA 79 Ca 0.12 0.07 0.18 0.00 0.00 0.00 0.00 54.91 55.28 1wlo h ALA 79 Cb 0.59 0.83 -0.05 0.00 0.00 0.00 0.00 17.79 19.17 1wlo h ALA 79 CO -0.52 -0.84 0.53 0.78 0.00 0.00 0.00 179.25 179.20 1wlo h GLY 80 N -0.33 0.53 0.96 0.00 0.00 0.23 -0.67 103.07 103.80 1wlo h GLY 80 Ca 0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 1wlo h GLY 80 CO -0.55 0.02 -0.15 -2.00 0.00 0.00 0.00 176.54 173.86 1wlo h LEU 81 N 0.28 -0.37 -0.07 3.11 6.46 0.28 0.83 115.31 125.82 1wlo h LEU 81 Ca 0.38 0.02 0.04 0.00 -0.12 0.00 0.00 57.88 58.20 1wlo h LEU 81 Cb 1.08 0.11 -0.06 0.00 -0.73 0.00 0.00 40.66 41.06 1wlo h LEU 81 CO -0.10 -0.25 -0.32 -0.07 -0.62 0.00 0.00 178.44 177.08 1wlo h LEU 82 N -0.40 -0.98 -0.39 2.25 -0.00 -0.26 0.48 115.31 116.01 1wlo h LEU 82 Ca -0.03 0.14 0.00 0.00 -0.00 0.00 0.00 57.88 57.98 1wlo h LEU 82 Cb 0.33 0.41 0.00 0.00 -0.00 0.00 0.00 40.66 41.39 1wlo h LEU 82 CO 0.04 -0.37 0.00 -1.14 -0.00 0.00 0.00 178.44 176.97 1wlo n ARG 83 N -5.41 0.08 -0.07 1.13 0.63 -0.90 -1.44 116.66 110.67 1wlo n ARG 83 Ca -0.04 0.38 -0.07 0.00 -0.92 0.00 0.00 57.85 57.21 1wlo n ARG 83 Cb 0.33 -1.68 0.12 0.00 0.45 0.00 0.00 32.46 31.68 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 0.73 -1.01 -0.14 -0.00 0.57 -3.32 114.58 111.42 1wlo h GLU 84 Ca 0.00 -0.28 -0.36 0.00 -0.00 0.00 0.00 59.36 58.73 1wlo h GLU 84 Cb 0.23 -0.04 -0.32 0.00 -0.00 0.00 0.00 28.75 28.62 1wlo h GLU 84 CO 0.00 0.87 -0.95 0.41 -0.00 0.00 0.00 179.01 179.34 1wlo n GLY 85 N -0.32 2.02 1.43 1.06 0.00 -0.89 -4.75 105.19 103.73 1wlo n GLY 85 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.99 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 0.02 0.00 -4.61 0.99 4.77 -0.52 -3.87 117.00 113.79 1wlo n LEU 86 Ca 0.12 0.00 -0.48 0.00 -0.03 0.00 0.00 56.01 55.62 1wlo n LEU 86 Cb 0.76 0.29 -0.05 0.00 -2.33 0.00 0.00 43.42 42.09 1wlo n LEU 86 CO 0.16 -0.36 1.64 1.21 -1.33 0.00 0.00 177.39 178.71 1wlo n GLU 87 N -2.21 1.87 0.00 3.23 0.00 -1.25 0.52 120.64 122.80 1wlo n GLU 87 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 57.16 57.78 1wlo n GLU 87 Cb 0.00 -2.72 0.00 0.00 0.00 0.00 0.00 31.44 28.72 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 5.20 3.28 0.87 8.31 0.00 0.12 -4.95 105.19 118.02 1wlo n GLY 88 Ca 0.29 0.00 -0.08 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 -1.43 -2.79 -2.61 1.61 -0.58 0.19 -3.26 120.64 111.76 1wlo n GLU 89 Ca 0.00 -0.40 -0.27 0.00 -0.42 0.00 0.00 57.16 56.07 1wlo n GLU 89 Cb 0.00 -0.52 0.01 0.00 -0.57 0.00 0.00 31.44 30.36 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 -2.29 6.11 0.25 1.62 0.01 -1.26 0.21 113.70 118.34 1wlo s SER 90 Ca 0.18 0.85 0.25 0.00 1.31 0.00 0.00 55.95 58.54 1wlo s SER 90 Cb -0.03 -2.10 0.90 0.00 0.21 0.00 0.00 66.02 64.99 1wlo s SER 90 CO 0.15 -0.68 1.75 -0.81 0.41 0.00 0.00 173.24 174.06 1wlo n PRO 91 N -2.31 0.24 -0.08 12.44 -0.04 -1.26 -2.02 135.00 141.97 1wlo n PRO 91 Ca 0.01 0.33 -0.16 0.00 -0.04 0.00 0.00 63.50 63.64 1wlo n PRO 91 Cb 0.56 -1.86 -0.14 0.00 -0.04 0.00 0.00 33.50 32.02 1wlo n PRO 91 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1wlo n GLU 92 N -2.30 0.68 0.01 0.54 -0.58 -1.26 -3.47 120.64 114.27 1wlo n GLU 92 Ca 0.04 0.16 -0.03 0.00 -0.42 0.00 0.00 57.16 56.91 1wlo n GLU 92 Cb 0.34 -1.60 0.21 0.00 -0.57 0.00 0.00 31.44 29.81 1wlo n GLU 92 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wlo h ALA 93 N 0.37 1.12 0.39 0.62 0.00 -1.94 -0.73 119.26 119.08 1wlo h ALA 93 Ca -0.50 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.06 1wlo h ALA 93 Cb 2.03 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1wlo h ALA 93 CO 0.00 0.55 -0.19 0.28 0.00 0.00 0.00 179.25 179.90 1wlo h VAL 94 N 0.44 0.45 -0.82 0.00 2.07 -1.58 -2.99 116.25 113.81 1wlo h VAL 94 Ca 0.07 -0.63 0.19 0.00 0.82 0.00 0.00 66.70 67.15 1wlo h VAL 94 Cb 0.64 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 1wlo h VAL 94 CO 0.05 0.09 0.55 -0.07 0.02 0.00 0.00 177.57 178.21 1wlo h LEU 95 N -0.95 0.28 -1.02 2.57 -0.00 -1.57 1.03 115.31 115.65 1wlo h LEU 95 Ca -0.05 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 1wlo h LEU 95 Cb 0.54 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.17 1wlo h LEU 95 CO 0.09 0.12 0.00 -0.62 -0.00 0.00 0.00 178.44 178.03 1wlo n GLU 96 N -4.44 0.11 -2.73 1.13 -0.58 -0.29 -4.51 120.64 109.33 1wlo n GLU 96 Ca 0.17 0.59 -0.42 0.00 -0.42 0.00 0.00 57.16 57.07 1wlo n GLU 96 Cb 0.69 -1.83 -0.03 0.00 -0.57 0.00 0.00 31.44 29.70 1wlo n GLU 96 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1wlo s VAL 97 N -3.39 4.76 0.95 2.62 1.01 0.36 -4.15 120.40 122.55 1wlo s VAL 97 Ca -0.01 1.93 -0.13 0.00 0.00 0.00 0.00 61.98 63.76 1wlo s VAL 97 Cb 0.05 -4.27 0.16 0.00 0.00 0.00 0.00 36.38 32.32 1wlo s VAL 97 CO 0.16 -0.07 1.16 -2.16 0.00 0.00 0.00 175.10 174.18 1wlo s PRO 98 N 2.59 0.82 0.02 2.72 0.04 -1.26 -4.94 135.00 134.99 1wlo s PRO 98 Ca 0.44 0.17 0.22 0.00 0.04 0.00 0.00 61.00 61.86 1wlo s PRO 98 Cb -0.16 -1.81 0.93 0.00 0.04 0.00 0.00 34.50 33.49 1wlo s PRO 98 CO 0.11 -2.39 1.70 -0.35 0.04 0.00 0.00 177.00 176.11 1wlo n PRO 99 N -3.88 0.02 -3.07 0.56 -0.04 -1.26 -3.60 135.00 123.73 1wlo n PRO 99 Ca 0.08 0.14 -0.20 0.00 -0.04 0.00 0.00 63.50 63.48 1wlo n PRO 99 Cb 0.59 -1.52 -0.03 0.00 -0.04 0.00 0.00 33.50 32.50 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 0.75 4.03 0.35 0.55 0.00 -1.26 -4.85 105.19 104.76 1wlo n GLY 100 Ca 0.05 -1.97 0.14 0.00 0.00 0.00 0.00 46.02 44.24 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 0.10 0.00 -0.05 1.61 1.16 -1.24 -4.09 117.46 114.95 1wlo n PHE 101 Ca 0.26 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.74 1wlo n PHE 101 Cb 0.60 -0.03 -0.04 0.00 -1.61 0.00 0.00 39.48 38.40 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 -0.19 0.00 -1.39 2.97 4.11 -1.26 -4.97 117.16 116.43 1wlo n TYR 102 Ca 0.18 0.00 -0.50 0.00 -0.00 0.00 0.00 57.90 57.59 1wlo n TYR 102 Cb 0.31 -0.39 -0.13 0.00 -0.00 0.00 0.00 39.34 39.14 1wlo n TYR 102 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1wlo n ARG 103 N -3.15 0.11 0.00 -3.48 1.74 -1.26 -2.29 116.66 108.33 1wlo n ARG 103 Ca -0.20 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 1wlo n ARG 103 Cb 0.67 -1.63 0.00 0.00 -1.02 0.00 0.00 32.46 30.48 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 6.93 1.36 0.06 -0.13 0.00 -1.26 -4.99 105.19 107.15 1wlo n GLY 104 Ca 0.59 -0.18 -0.01 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.06 0.00 1.61 4.01 -0.97 -4.77 117.16 116.98 1wlo n TYR 105 Ca 0.00 0.17 0.00 0.00 -0.16 0.00 0.00 57.90 57.91 1wlo n TYR 105 Cb 0.00 -0.46 0.00 0.00 -0.31 0.00 0.00 39.34 38.57 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 -1.03 -1.40 0.05 2.72 0.00 -1.26 -4.79 105.19 99.48 1wlo n GLY 106 Ca 0.00 0.41 0.01 0.00 0.00 0.00 0.00 46.02 46.45 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 0.00 0.01 0.99 4.32 -1.26 -4.43 117.00 116.63 1wlo n LEU 107 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 56.01 55.87 1wlo n LEU 107 Cb 0.00 0.22 -0.08 0.00 -1.62 0.00 0.00 43.42 41.94 1wlo n LEU 107 CO 0.00 0.22 0.75 -0.33 -1.22 0.00 0.00 177.39 176.81 1wlo h GLU 108 N 0.00 0.01 -1.71 3.23 5.08 -1.93 0.85 114.58 120.10 1wlo h GLU 108 Ca -0.24 -0.00 0.50 0.00 -1.00 0.00 0.00 59.36 58.61 1wlo h GLU 108 Cb 1.52 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.70 1wlo h GLU 108 CO 0.01 0.26 1.34 0.93 -1.00 0.00 0.00 179.01 180.55 1wlo h GLU 109 N -0.25 0.00 0.00 2.33 4.39 -1.97 0.77 114.58 119.85 1wlo h GLU 109 Ca 0.00 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.35 1wlo h GLU 109 Cb 0.26 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.85 1wlo h GLU 109 CO 0.00 0.00 -2.23 1.19 -1.16 0.00 0.00 179.01 176.81 1wlo n PHE 110 N -3.79 0.00 -3.37 4.33 3.72 -0.97 -4.89 117.46 112.50 1wlo n PHE 110 Ca 0.38 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 57.35 1wlo n PHE 110 Cb 1.86 -0.81 -0.08 0.00 -0.94 0.00 0.00 39.48 39.51 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 -2.41 3.21 0.97 1.38 0.08 0.29 -5.05 117.98 116.44 1wlo s PHE 111 Ca -0.30 -0.73 -0.17 0.00 0.12 0.00 0.00 56.93 55.85 1wlo s PHE 111 Cb 0.10 -3.02 -0.15 0.00 -0.57 0.00 0.00 43.02 39.38 1wlo s PHE 111 CO 0.43 -0.76 -0.77 0.25 -0.10 0.00 0.00 175.22 174.28 1wlo n THR 112 N 5.27 0.00 0.98 0.64 -2.24 -1.23 -4.09 114.28 113.60 1wlo n THR 112 Ca -0.11 -0.50 0.11 0.00 -2.27 0.00 0.00 64.05 61.28 1wlo n THR 112 Cb 0.45 0.00 0.54 0.00 -2.10 0.00 0.00 70.33 69.22 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 2.44 0.23 -0.05 -0.78 -0.04 -1.26 -2.02 135.00 133.51 1wlo n PRO 113 Ca -0.01 0.09 -0.04 0.00 -0.04 0.00 0.00 63.50 63.50 1wlo n PRO 113 Cb 0.55 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.50 1wlo n PRO 113 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1wlo n LEU 114 N -1.35 1.27 -0.14 1.53 -0.00 -1.26 -4.16 117.00 112.89 1wlo n LEU 114 Ca 0.09 0.47 0.17 0.00 -0.00 0.00 0.00 56.01 56.74 1wlo n LEU 114 Cb 0.20 -0.74 0.55 0.00 -0.00 0.00 0.00 43.42 43.44 1wlo n LEU 114 CO 0.18 -0.46 1.21 0.03 -0.00 0.00 0.00 177.39 178.35 1wlo h ARG 115 N -0.69 0.30 -0.49 1.96 3.08 -1.91 -0.68 114.38 115.95 1wlo h ARG 115 Ca 0.00 -0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.13 1wlo h ARG 115 Cb 0.42 -0.07 -0.10 0.00 0.08 0.00 0.00 29.97 30.30 1wlo h ARG 115 CO 0.00 0.20 -0.16 -0.07 -1.07 0.00 0.00 179.97 178.87 1wlo h LEU 116 N 0.31 -0.56 -0.96 3.04 3.38 -1.60 -0.33 115.31 118.59 1wlo h LEU 116 Ca 0.36 0.16 0.13 0.00 0.09 0.00 0.00 57.88 58.61 1wlo h LEU 116 Cb 0.95 0.34 -0.14 0.00 0.09 0.00 0.00 40.66 41.91 1wlo h LEU 116 CO -0.09 -0.19 -0.44 0.54 0.09 0.00 0.00 178.44 178.34 1wlo n ARG 117 N -5.38 -0.29 -0.03 1.13 3.00 -0.26 -0.03 116.66 114.80 1wlo n ARG 117 Ca 0.04 1.47 -0.11 0.00 -0.01 0.00 0.00 57.85 59.24 1wlo n ARG 117 Cb 0.28 -2.17 -0.05 0.00 0.00 0.00 0.00 32.46 30.52 1wlo n ARG 117 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 1wlo h GLY 118 N 0.00 0.23 -0.83 -0.13 0.00 -1.32 -2.68 103.07 98.34 1wlo h GLY 118 Ca 0.27 -0.12 0.29 0.00 0.00 0.00 0.00 47.33 47.77 1wlo h GLY 118 CO -0.93 0.11 0.18 1.41 0.00 0.00 0.00 176.54 177.31 1wlo h LEU 119 N 0.09 -0.20 0.19 3.11 3.38 0.12 0.65 115.31 122.66 1wlo h LEU 119 Ca 0.05 0.25 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 1wlo h LEU 119 Cb 0.15 0.39 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1wlo h LEU 119 CO -0.00 -0.32 -0.09 -0.33 0.09 0.00 0.00 178.44 177.79 1wlo h GLU 120 N 0.06 -0.25 -0.82 1.13 5.08 -0.72 -2.26 114.58 116.80 1wlo h GLU 120 Ca 0.63 0.02 0.32 0.00 -1.00 0.00 0.00 59.36 59.33 1wlo h GLU 120 Cb 1.39 0.06 -0.12 0.00 0.50 0.00 0.00 28.75 30.57 1wlo h GLU 120 CO -0.82 -0.16 0.47 0.00 -1.00 0.00 0.00 179.01 177.51 1wlo n ALA 121 N -2.21 0.83 0.09 3.43 0.00 0.23 0.20 120.51 123.07 1wlo n ALA 121 Ca -0.09 0.72 -0.15 0.00 0.00 0.00 0.00 53.44 53.92 1wlo n ALA 121 Cb 0.13 -0.76 -0.09 0.00 0.00 0.00 0.00 19.45 18.74 1wlo n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wlo h ALA 122 N 1.39 -0.86 0.42 0.00 0.00 -1.21 0.65 119.26 119.66 1wlo h ALA 122 Ca 0.63 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.44 1wlo h ALA 122 Cb 1.78 0.84 0.00 0.00 0.00 0.00 0.00 17.79 20.42 1wlo h ALA 122 CO -0.50 -1.06 -0.20 1.25 0.00 0.00 0.00 179.25 178.74 1wlo h LEU 123 N -0.68 -0.48 -0.99 0.00 7.12 0.21 0.95 115.31 121.44 1wlo h LEU 123 Ca 0.02 -0.11 0.33 0.00 0.13 0.00 0.00 57.88 58.25 1wlo h LEU 123 Cb 0.72 0.12 -0.18 0.00 -0.53 0.00 0.00 40.66 40.79 1wlo h LEU 123 CO -0.31 -0.13 0.23 -0.07 -0.13 0.00 0.00 178.44 178.04 1wlo h LEU 124 N -0.87 -0.16 0.05 2.25 -0.00 -0.70 0.63 115.31 116.50 1wlo h LEU 124 Ca -0.06 0.27 -0.00 0.00 -0.00 0.00 0.00 57.88 58.09 1wlo h LEU 124 Cb 0.56 0.40 0.00 0.00 -0.00 0.00 0.00 40.66 41.62 1wlo h LEU 124 CO 0.09 -0.38 -0.02 0.03 -0.00 0.00 0.00 178.44 178.16 1wlo h ARG 125 N 0.01 -0.06 -0.70 1.13 3.08 0.50 -2.77 114.38 115.57 1wlo h ARG 125 Ca 0.70 0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.88 1wlo h ARG 125 Cb 1.62 0.01 -0.13 0.00 0.08 0.00 0.00 29.97 31.55 1wlo h ARG 125 CO -0.86 0.48 -0.23 -0.07 -1.07 0.00 0.00 179.97 178.22 1wlo h LEU 126 N -0.65 -0.85 -2.03 3.04 3.38 0.26 1.64 115.31 120.12 1wlo h LEU 126 Ca -0.01 0.22 0.02 0.00 0.09 0.00 0.00 57.88 58.20 1wlo h LEU 126 Cb 0.57 0.50 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 1wlo h LEU 126 CO 0.01 -0.26 0.04 1.56 0.09 0.00 0.00 178.44 179.88 1wlo h GLN 127 N -0.05 0.00 0.00 1.13 4.20 -0.44 0.51 115.11 120.46 1wlo h GLN 127 Ca 0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.03 1wlo h GLN 127 Cb 0.54 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.32 1wlo h GLN 127 CO -0.74 0.00 -0.10 0.00 -0.67 0.00 0.00 178.83 177.32 1wlo h ALA 128 N 1.97 0.93 0.08 3.87 0.00 0.24 -2.07 119.26 124.28 1wlo h ALA 128 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.58 1wlo h ALA 128 Cb 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1wlo h ALA 128 CO -0.00 0.00 -2.03 1.04 0.00 0.00 0.00 179.25 178.26 1wlo n GLN 129 N -2.32 0.72 -0.03 0.00 1.13 0.18 -4.15 117.38 112.91 1wlo n GLN 129 Ca 0.05 0.24 -0.13 0.00 -1.94 0.00 0.00 57.00 55.22 1wlo n GLN 129 Cb 0.44 -1.69 -0.10 0.00 0.11 0.00 0.00 30.24 29.00 1wlo n GLN 129 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1wlo h VAL 130 N 0.04 1.45 -1.69 5.09 2.07 -0.27 -3.01 116.25 119.93 1wlo h VAL 130 Ca -0.43 -1.38 0.49 0.00 0.82 0.00 0.00 66.70 66.20 1wlo h VAL 130 Cb 2.02 2.35 -0.07 0.00 -1.52 0.00 0.00 31.29 34.07 1wlo h VAL 130 CO 0.06 0.37 1.22 0.03 0.02 0.00 0.00 177.57 179.26 1wlo h ARG 131 N -0.50 0.00 -0.24 1.57 3.08 -1.57 1.75 114.38 118.48 1wlo h ARG 131 Ca 0.00 -0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 1wlo h ARG 131 Cb 0.62 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 1wlo h ARG 131 CO 0.01 0.00 -0.08 0.87 -1.07 0.00 0.00 179.97 179.70 1wlo h LYS 132 N 0.00 0.47 -0.61 0.04 1.79 -1.68 -2.99 116.57 113.60 1wlo h LYS 132 Ca 0.81 -0.19 0.09 0.00 -2.18 0.00 0.00 60.65 59.18 1wlo h LYS 132 Cb 3.23 -0.02 -0.07 0.00 -1.58 0.00 0.00 32.23 33.79 1wlo h LYS 132 CO -0.02 0.72 0.24 0.00 -1.08 0.00 0.00 179.45 179.30 1wlo h ALA 133 N 0.74 0.79 -1.26 3.86 0.00 0.26 1.77 119.26 125.42 1wlo h ALA 133 Ca 0.06 0.08 0.36 0.00 0.00 0.00 0.00 54.91 55.41 1wlo h ALA 133 Cb 0.56 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.31 1wlo h ALA 133 CO 0.03 -0.18 0.87 -0.07 0.00 0.00 0.00 179.25 179.89 1wlo h LEU 134 N 0.42 0.16 0.00 0.00 4.07 -1.27 0.74 115.31 119.43 1wlo h LEU 134 Ca 0.31 0.05 -0.01 0.00 0.08 0.00 0.00 57.88 58.30 1wlo h LEU 134 Cb 0.37 0.02 -0.00 0.00 1.08 0.00 0.00 40.66 42.13 1wlo h LEU 134 CO -0.30 -0.01 -1.88 1.07 -1.08 0.00 0.00 178.44 176.25 1wlo n THR 135 N -4.36 0.04 -0.06 0.22 5.66 0.93 -5.14 114.28 111.57 1wlo n THR 135 Ca 0.29 -0.44 0.00 0.00 -3.05 0.00 0.00 64.05 60.85 1wlo n THR 135 Cb 1.26 0.05 0.00 0.00 -1.55 0.00 0.00 70.33 70.09 1wlo n THR 135 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78