#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujo n SER 2 N 0.00 -7.79 -3.65 1.61 7.64 -1.26 -5.05 113.62 105.12 1ujo n SER 2 Ca 0.00 1.64 -0.01 0.00 1.01 0.00 0.00 58.87 61.51 1ujo n SER 2 Cb 0.00 -4.73 -0.06 0.00 -1.01 0.00 0.00 64.21 58.40 1ujo n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ujo s SER 3 N -5.92 -0.31 0.00 6.43 0.15 -1.26 -5.13 113.70 107.66 1ujo s SER 3 Ca 0.00 0.50 0.00 0.00 0.70 0.00 0.00 55.95 57.15 1ujo s SER 3 Cb 0.00 1.10 0.00 0.00 -1.71 0.00 0.00 66.02 65.41 1ujo s SER 3 CO 0.00 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 174.97 1ujo n GLY 4 N 3.37 -1.25 3.23 9.45 0.00 -1.26 -5.09 105.19 113.64 1ujo n GLY 4 Ca -0.18 -0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.49 1ujo n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ujo s SER 5 N -1.52 0.14 1.03 1.61 0.15 -1.26 -5.06 113.70 108.79 1ujo s SER 5 Ca 0.00 -1.34 -0.13 0.00 0.70 0.00 0.00 55.95 55.18 1ujo s SER 5 Cb 0.00 0.39 0.15 0.00 -1.71 0.00 0.00 66.02 64.86 1ujo s SER 5 CO 0.00 -0.86 0.73 -0.24 1.20 0.00 0.00 173.24 174.07 1ujo n SER 6 N -0.27 -1.30 -1.51 5.45 2.88 -1.26 -3.44 113.62 114.17 1ujo n SER 6 Ca 0.01 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 1ujo n SER 6 Cb 0.66 -1.26 0.00 0.00 -0.75 0.00 0.00 64.21 62.85 1ujo n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ujo n GLY 7 N 1.08 2.52 3.85 0.46 0.00 -1.26 -4.67 105.19 107.17 1ujo n GLY 7 Ca 0.06 -2.12 -0.32 0.00 0.00 0.00 0.00 46.02 43.65 1ujo n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ujo s GLU 8 N -0.87 3.83 0.13 1.61 2.02 -1.26 -4.86 118.70 119.31 1ujo s GLU 8 Ca 0.00 0.86 -0.30 0.00 0.02 0.00 0.00 54.97 55.55 1ujo s GLU 8 Cb 0.00 -2.14 -0.06 0.00 0.10 0.00 0.00 34.13 32.03 1ujo s GLU 8 CO 0.00 -0.34 1.57 1.49 0.02 0.00 0.00 175.26 178.00 1ujo h GLU 9 N 0.56 -0.47 0.00 1.61 4.81 -1.99 0.90 114.58 120.01 1ujo h GLU 9 Ca -0.46 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1ujo h GLU 9 Cb 1.19 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1ujo h GLU 9 CO 0.62 -0.31 0.00 -0.11 -0.73 0.00 0.00 179.01 178.48 1ujo n LEU 10 N -5.43 0.00 -0.29 1.64 0.00 -1.26 -0.10 117.00 111.56 1ujo n LEU 10 Ca -0.04 0.99 -0.04 0.00 0.00 0.00 0.00 56.01 56.92 1ujo n LEU 10 Cb 0.36 -0.49 0.02 0.00 0.00 0.00 0.00 43.42 43.32 1ujo n LEU 10 CO 0.10 -0.49 0.60 -0.08 0.00 0.00 0.00 177.39 177.52 1ujo h GLU 11 N 0.00 -0.08 -0.68 1.96 4.81 -1.88 0.37 114.58 119.08 1ujo h GLU 11 Ca 0.00 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.37 1ujo h GLU 11 Cb 0.00 0.02 -0.13 0.00 0.63 0.00 0.00 28.75 29.27 1ujo h GLU 11 CO 0.00 -0.06 -0.23 0.93 -0.73 0.00 0.00 179.01 178.93 1ujo h GLU 12 N -0.09 -0.05 0.78 1.92 4.39 0.11 0.13 114.58 121.78 1ujo h GLU 12 Ca 0.28 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.95 1ujo h GLU 12 Cb 0.57 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.24 1ujo h GLU 12 CO -0.83 -0.03 -0.37 -0.09 -1.16 0.00 0.00 179.01 176.52 1ujo h ARG 13 N -0.05 -1.01 -0.97 2.33 9.65 0.31 1.12 114.38 125.76 1ujo h ARG 13 Ca 0.31 0.07 0.14 0.00 -1.10 0.00 0.00 59.98 59.40 1ujo h ARG 13 Cb 0.53 0.23 -0.15 0.00 -1.39 0.00 0.00 29.97 29.19 1ujo h ARG 13 CO -0.72 -0.66 -0.41 -0.07 2.80 0.00 0.00 179.97 180.90 1ujo h LEU 14 N -1.11 -1.52 0.41 3.80 4.07 0.40 1.27 115.31 122.63 1ujo h LEU 14 Ca -0.11 0.31 -0.02 0.00 0.08 0.00 0.00 57.88 58.14 1ujo h LEU 14 Cb 0.81 0.77 0.00 0.00 1.08 0.00 0.00 40.66 43.33 1ujo h LEU 14 CO 0.18 -0.28 -0.20 0.58 -1.08 0.00 0.00 178.44 177.64 1ujo h VAL 15 N -0.01 0.00 -1.53 1.22 2.07 -0.64 0.38 116.25 117.73 1ujo h VAL 15 Ca 0.32 -0.22 0.48 0.00 0.82 0.00 0.00 66.70 68.10 1ujo h VAL 15 Cb 0.57 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.24 1ujo h VAL 15 CO -0.96 0.00 1.05 -0.62 0.02 0.00 0.00 177.57 177.05 1ujo n GLU 16 N -4.07 -0.02 0.01 1.57 1.02 0.38 0.87 120.64 120.40 1ujo n GLU 16 Ca -0.07 1.10 -0.01 0.00 -0.02 0.00 0.00 57.16 58.16 1ujo n GLU 16 Cb 0.22 -2.31 -0.00 0.00 -0.02 0.00 0.00 31.44 29.32 1ujo n GLU 16 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 1ujo h TRP 17 N 0.00 -0.04 -1.63 -0.32 7.01 0.17 -2.95 115.95 118.19 1ujo h TRP 17 Ca 0.84 -0.00 0.47 0.00 2.11 0.00 0.00 58.89 62.32 1ujo h TRP 17 Cb 3.03 0.01 -0.07 0.00 -2.10 0.00 0.00 29.16 30.04 1ujo h TRP 17 CO -0.00 -0.03 1.29 0.82 -2.79 0.00 0.00 178.44 177.73 1ujo h ILE 18 N -0.23 0.06 0.27 2.65 2.04 0.17 1.49 117.51 123.95 1ujo h ILE 18 Ca -0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1ujo h ILE 18 Cb 0.04 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.19 1ujo h ILE 18 CO 0.01 0.00 -0.13 0.58 0.00 0.00 0.00 178.15 178.61 1ujo h VAL 19 N 0.00 0.76 -0.35 1.67 2.07 0.44 1.13 116.25 121.97 1ujo h VAL 19 Ca 0.78 -0.55 -0.09 0.00 0.82 0.00 0.00 66.70 67.66 1ujo h VAL 19 Cb 3.35 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 34.16 1ujo h VAL 19 CO -0.01 0.11 -0.15 -0.37 0.02 0.00 0.00 177.57 177.18 1ujo h VAL 20 N -0.67 1.25 0.27 2.57 -1.51 0.20 1.51 116.25 119.87 1ujo h VAL 20 Ca -0.04 -1.16 -0.01 0.00 -1.23 0.00 0.00 66.70 64.26 1ujo h VAL 20 Cb 0.47 1.14 0.00 0.00 -2.13 0.00 0.00 31.29 30.77 1ujo h VAL 20 CO 0.06 0.38 -0.13 1.56 -1.23 0.00 0.00 177.57 178.22 1ujo h GLN 21 N 0.58 -0.34 0.32 5.19 1.08 -0.09 -3.35 115.11 118.50 1ujo h GLN 21 Ca 0.10 0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.30 1ujo h GLN 21 Cb 0.59 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.10 1ujo h GLN 21 CO 0.04 -0.23 -0.16 0.00 -0.95 0.00 0.00 178.83 177.53 1ujo n GLY 23 N -1.01 1.64 2.29 0.00 0.00 0.52 -4.76 105.19 103.86 1ujo n GLY 23 Ca -0.10 -2.17 -0.18 0.00 0.00 0.00 0.00 46.02 43.57 1ujo n GLY 23 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ujo n PRO 24 N -0.34 2.05 0.00 1.61 -0.04 -1.26 -3.29 135.00 133.74 1ujo n PRO 24 Ca 0.00 -1.19 0.00 0.00 -0.04 0.00 0.00 63.50 62.27 1ujo n PRO 24 Cb 0.00 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.27 1ujo n PRO 24 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1ujo n ASP 25 N 3.21 1.05 0.18 3.54 -0.08 -1.26 -4.75 116.55 118.44 1ujo n ASP 25 Ca 0.44 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.76 1ujo n ASP 25 Cb 0.46 0.00 0.34 0.00 2.34 0.00 0.00 41.12 44.26 1ujo n ASP 25 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 1ujo h VAL 26 N 0.00 1.08 0.00 5.18 -1.51 -1.89 -3.49 116.25 115.63 1ujo h VAL 26 Ca 0.00 -1.50 0.00 0.00 -1.23 0.00 0.00 66.70 63.97 1ujo h VAL 26 Cb 0.60 1.86 0.00 0.00 -2.13 0.00 0.00 31.29 31.62 1ujo h VAL 26 CO 0.00 0.40 0.00 0.61 -1.23 0.00 0.00 177.57 177.35 1ujo n GLY 27 N -0.03 -0.27 3.11 5.19 0.00 -1.26 -4.98 105.19 106.95 1ujo n GLY 27 Ca -0.01 -1.49 -0.10 0.00 0.00 0.00 0.00 46.02 44.42 1ujo n GLY 27 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ujo s ARG 28 N 0.00 0.68 0.99 1.61 3.52 -1.26 -4.89 118.95 119.59 1ujo s ARG 28 Ca 0.00 -1.16 -0.15 0.00 -0.13 0.00 0.00 55.73 54.30 1ujo s ARG 28 Cb 0.00 -0.06 0.18 0.00 -1.56 0.00 0.00 34.95 33.52 1ujo s ARG 28 CO 0.00 -0.04 1.17 -1.25 -0.81 0.00 0.00 175.30 174.37 1ujo s PRO 29 N -3.35 0.52 0.00 5.12 0.04 -1.26 -5.08 135.00 130.98 1ujo s PRO 29 Ca 0.05 0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.14 1ujo s PRO 29 Cb 0.03 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.78 1ujo s PRO 29 CO -0.05 -2.57 0.00 -3.47 0.04 0.00 0.00 177.00 170.94 1ujo n ASP 30 N -3.98 0.00 -4.34 6.66 -0.08 -1.26 -4.98 116.55 108.57 1ujo n ASP 30 Ca 0.10 -0.21 -0.33 0.00 -1.51 0.00 0.00 54.79 52.83 1ujo n ASP 30 Cb 0.59 0.00 0.13 0.00 2.34 0.00 0.00 41.12 44.18 1ujo n ASP 30 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 1ujo n ARG 31 N -0.21 -0.58 -2.62 -0.67 0.00 -1.26 -4.62 116.66 106.69 1ujo n ARG 31 Ca 0.00 -0.14 -0.43 0.00 -0.00 0.00 0.00 57.85 57.28 1ujo n ARG 31 Cb 0.00 -1.73 -0.02 0.00 -0.00 0.00 0.00 32.46 30.71 1ujo n ARG 31 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1ujo s GLY 32 N -1.87 1.31 0.01 2.89 0.00 -1.22 -4.26 107.32 104.17 1ujo s GLY 32 Ca 0.55 -0.50 0.00 0.00 0.00 0.00 0.00 44.72 44.77 1ujo s GLY 32 CO 0.68 2.38 0.00 -2.13 0.00 0.00 0.00 173.10 174.03 1ujo n ARG 33 N 7.78 0.00 0.00 2.90 0.63 -1.26 -4.87 116.66 121.83 1ujo n ARG 33 Ca 0.11 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.04 1ujo n ARG 33 Cb 0.49 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.40 1ujo n ARG 33 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1ujo n LEU 34 N -1.80 0.43 -0.19 6.15 4.77 -1.26 -4.88 117.00 120.23 1ujo n LEU 34 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.94 1ujo n LEU 34 Cb 0.00 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1ujo n LEU 34 CO 0.00 -0.08 0.24 0.61 -1.33 0.00 0.00 177.39 176.82 1ujo n GLY 35 N 1.95 -1.11 0.40 -0.72 0.00 -1.26 0.14 105.19 104.59 1ujo n GLY 35 Ca 0.00 0.54 -0.07 0.00 0.00 0.00 0.00 46.02 46.49 1ujo n GLY 35 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1ujo h PHE 36 N 0.00 -1.55 -0.69 1.61 3.57 -1.82 0.14 116.94 118.20 1ujo h PHE 36 Ca 0.10 0.12 0.08 0.00 3.53 0.00 0.00 57.97 61.80 1ujo h PHE 36 Cb 0.22 0.81 -0.11 0.00 2.79 0.00 0.00 35.95 39.66 1ujo h PHE 36 CO -0.45 -0.39 -0.53 0.37 -2.23 0.00 0.00 178.31 175.09 1ujo h GLN 37 N -0.00 -0.19 -0.61 1.11 -0.00 0.87 0.37 115.11 116.66 1ujo h GLN 37 Ca 0.24 0.01 0.12 0.00 -0.00 0.00 0.00 58.65 59.02 1ujo h GLN 37 Cb 0.49 0.04 -0.09 0.00 0.00 0.00 0.00 27.48 27.92 1ujo h GLN 37 CO -0.96 -0.12 0.08 0.28 0.00 0.00 0.00 178.83 178.11 1ujo h VAL 38 N -0.19 0.58 -1.01 2.39 2.07 -0.67 0.51 116.25 119.93 1ujo h VAL 38 Ca 0.15 -0.07 0.33 0.00 0.82 0.00 0.00 66.70 67.93 1ujo h VAL 38 Cb 0.53 0.36 -0.15 0.00 -1.52 0.00 0.00 31.29 30.51 1ujo h VAL 38 CO -0.76 0.04 0.57 -0.25 0.02 0.00 0.00 177.57 177.19 1ujo h TRP 39 N 0.20 0.93 -1.74 1.57 7.01 0.17 0.69 115.95 124.78 1ujo h TRP 39 Ca 0.32 0.04 -0.66 0.00 2.11 0.00 0.00 58.89 60.70 1ujo h TRP 39 Cb 0.50 -0.24 -0.37 0.00 -2.10 0.00 0.00 29.16 26.95 1ujo h TRP 39 CO -0.29 -0.18 -0.08 1.28 -2.79 0.00 0.00 178.44 176.38 1ujo n LEU 40 N -5.05 5.70 -0.01 0.65 4.77 0.17 -4.69 117.00 118.54 1ujo n LEU 40 Ca 0.32 -5.13 -0.02 0.00 -0.03 0.00 0.00 56.01 51.15 1ujo n LEU 40 Cb 1.00 -0.69 -0.01 0.00 -2.33 0.00 0.00 43.42 41.39 1ujo n LEU 40 CO 0.10 2.08 -0.15 1.17 -1.33 0.00 0.00 177.39 179.26 1ujo n LYS 41 N -0.47 0.12 -0.40 3.23 4.81 0.24 -4.69 118.16 121.00 1ujo n LYS 41 Ca 0.44 0.05 -0.05 0.00 -0.87 0.00 0.00 58.31 57.88 1ujo n LYS 41 Cb 0.49 -0.58 -0.01 0.00 0.02 0.00 0.00 35.03 34.95 1ujo n LYS 41 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1ujo n ASN 42 N -3.08 -0.80 0.00 3.14 4.13 -1.25 -4.70 115.26 112.69 1ujo n ASN 42 Ca -0.03 1.74 0.00 0.00 1.68 0.00 0.00 54.58 57.97 1ujo n ASN 42 Cb 0.12 -0.33 0.00 0.00 -1.54 0.00 0.00 39.78 38.02 1ujo n ASN 42 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ujo n GLY 43 N -1.38 2.63 0.23 7.41 0.00 -1.26 -3.84 105.19 108.97 1ujo n GLY 43 Ca 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.02 1ujo n GLY 43 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ujo h VAL 44 N 0.00 0.47 0.48 1.61 2.07 -1.88 0.55 116.25 119.56 1ujo h VAL 44 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1ujo h VAL 44 Cb 0.00 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1ujo h VAL 44 CO 0.00 0.00 -0.34 0.40 0.02 0.00 0.00 177.57 177.65 1ujo h ILE 45 N -0.16 0.31 -0.67 4.57 2.04 -1.93 0.11 117.51 121.79 1ujo h ILE 45 Ca 0.15 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.15 1ujo h ILE 45 Cb 0.40 0.31 -0.12 0.00 -0.74 0.00 0.00 36.82 36.66 1ujo h ILE 45 CO -0.39 0.00 -0.13 -0.07 0.00 0.00 0.00 178.15 177.57 1ujo h LEU 46 N -0.80 -0.54 -1.33 1.44 3.38 -1.72 0.84 115.31 116.58 1ujo h LEU 46 Ca -0.05 0.19 0.04 0.00 0.09 0.00 0.00 57.88 58.15 1ujo h LEU 46 Cb 0.67 0.39 -0.04 0.00 0.09 0.00 0.00 40.66 41.76 1ujo h LEU 46 CO 0.03 -0.20 0.48 0.28 0.09 0.00 0.00 178.44 179.11 1ujo h SER 47 N 0.02 0.75 0.27 -0.43 0.02 0.57 0.84 113.55 115.60 1ujo h SER 47 Ca 0.33 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.20 1ujo h SER 47 Cb 0.52 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 1ujo h SER 47 CO -0.66 0.52 -0.30 0.11 -1.14 0.00 0.00 176.83 175.36 1ujo h LYS 48 N 0.87 0.05 0.00 3.45 1.57 0.32 -0.99 116.57 121.85 1ujo h LYS 48 Ca 0.29 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1ujo h LYS 48 Cb 0.07 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1ujo h LYS 48 CO -0.08 0.35 0.00 -0.11 -0.57 0.00 0.00 179.45 179.03 1ujo n LEU 49 N -4.17 0.11 -0.33 2.94 7.94 0.45 -0.04 117.00 123.90 1ujo n LEU 49 Ca -0.02 0.80 0.19 0.00 -1.11 0.00 0.00 56.01 55.87 1ujo n LEU 49 Cb 0.35 -0.38 0.40 0.00 0.53 0.00 0.00 43.42 44.33 1ujo n LEU 49 CO 0.38 -0.38 1.11 1.62 -1.11 0.00 0.00 177.39 179.01 1ujo h VAL 50 N 0.00 0.41 0.61 1.96 3.04 -1.50 0.19 116.25 120.96 1ujo h VAL 50 Ca 0.00 -0.14 -0.02 0.00 -1.01 0.00 0.00 66.70 65.52 1ujo h VAL 50 Cb 0.00 -0.04 -0.01 0.00 -2.01 0.00 0.00 31.29 29.22 1ujo h VAL 50 CO 0.00 0.08 -0.45 0.78 -1.01 0.00 0.00 177.57 176.97 1ujo h ASN 51 N 0.42 -1.17 -1.00 3.17 2.35 -1.10 -1.04 115.58 117.21 1ujo h ASN 51 Ca 0.66 0.08 0.16 0.00 -0.55 0.00 0.00 56.30 56.65 1ujo h ASN 51 Cb 1.37 0.36 -0.10 0.00 0.05 0.00 0.00 38.32 40.00 1ujo h ASN 51 CO -0.55 -0.65 0.61 0.77 -1.65 0.00 0.00 177.43 175.96 1ujo h SER 52 N -1.02 0.83 0.00 5.81 4.64 0.22 -3.04 113.55 120.99 1ujo h SER 52 Ca -0.07 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1ujo h SER 52 Cb 0.85 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1ujo h SER 52 CO 0.03 0.35 0.00 0.18 -0.87 0.00 0.00 176.83 176.52 1ujo n LEU 53 N -4.72 0.00 -3.39 5.97 4.77 0.39 -4.72 117.00 115.31 1ujo n LEU 53 Ca 0.22 0.52 -0.31 0.00 -0.03 0.00 0.00 56.01 56.40 1ujo n LEU 53 Cb 0.49 -0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.58 1ujo n LEU 53 CO 0.23 -0.02 -0.60 -1.22 -1.33 0.00 0.00 177.39 174.46 1ujo n TYR 54 N -0.66 -2.60 -2.41 -1.77 4.01 -0.46 -4.35 117.16 108.92 1ujo n TYR 54 Ca 0.00 0.31 -0.34 0.00 -0.16 0.00 0.00 57.90 57.71 1ujo n TYR 54 Cb 0.00 -1.33 -0.02 0.00 -0.31 0.00 0.00 39.34 37.68 1ujo n TYR 54 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1ujo s PRO 55 N -0.92 3.68 0.79 -0.72 0.04 -1.26 -4.88 135.00 131.73 1ujo s PRO 55 Ca 0.44 1.30 -0.16 0.00 0.04 0.00 0.00 61.00 62.62 1ujo s PRO 55 Cb -0.36 -2.08 -0.06 0.00 0.04 0.00 0.00 34.50 32.04 1ujo s PRO 55 CO 0.55 -0.53 0.17 0.39 0.04 0.00 0.00 177.00 177.63 1ujo n GLU 56 N -1.27 0.08 0.00 4.56 1.02 -1.26 -2.08 120.64 121.69 1ujo n GLU 56 Ca 0.09 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 1ujo n GLU 56 Cb 0.53 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 1ujo n GLU 56 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ujo n GLY 57 N 2.06 1.76 0.08 0.62 0.00 -1.26 -4.74 105.19 103.71 1ujo n GLY 57 Ca 0.07 -0.23 -0.03 0.00 0.00 0.00 0.00 46.02 45.83 1ujo n GLY 57 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1ujo h SER 58 N 0.00 -0.19 -6.47 1.61 0.87 -1.80 -3.47 113.55 104.11 1ujo h SER 58 Ca 0.00 0.01 -0.19 0.00 -1.23 0.00 0.00 61.79 60.38 1ujo h SER 58 Cb 0.00 0.05 0.01 0.00 -0.44 0.00 0.00 62.40 62.02 1ujo h SER 58 CO 0.00 -0.11 -1.11 0.29 -0.53 0.00 0.00 176.83 175.37 1ujo n LYS 59 N -2.62 -1.06 0.01 2.24 4.01 -1.25 -4.90 118.16 114.58 1ujo n LYS 59 Ca -0.02 1.08 -0.10 0.00 -0.51 0.00 0.00 58.31 58.75 1ujo n LYS 59 Cb 0.07 -1.47 -0.08 0.00 -0.51 0.00 0.00 35.03 33.05 1ujo n LYS 59 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 1ujo h PRO 60 N 2.87 -0.12 -6.60 1.97 0.13 -1.92 -3.45 132.00 124.88 1ujo h PRO 60 Ca -0.28 0.01 -0.51 0.00 -0.87 0.00 0.00 66.00 64.35 1ujo h PRO 60 Cb 1.20 0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 1ujo h PRO 60 CO 0.11 0.40 -0.07 0.08 -0.23 0.00 0.00 178.00 178.29 1ujo s VAL 61 N -3.01 4.97 -0.37 1.56 1.01 -1.26 -5.06 120.40 118.24 1ujo s VAL 61 Ca -0.13 0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.03 1ujo s VAL 61 Cb -0.00 -3.76 0.11 0.00 0.00 0.00 0.00 36.38 32.73 1ujo s VAL 61 CO 0.49 -0.43 0.09 -0.54 0.00 0.00 0.00 175.10 174.70 1ujo s LYS 62 N -3.78 1.54 -0.36 2.72 1.02 -1.26 -4.94 119.74 114.67 1ujo s LYS 62 Ca 0.45 -1.98 -0.14 0.00 0.02 0.00 0.00 55.97 54.33 1ujo s LYS 62 Cb -0.10 -3.19 -0.01 0.00 -0.52 0.00 0.00 37.83 34.01 1ujo s LYS 62 CO 0.32 -0.97 0.28 0.54 -0.92 0.00 0.00 175.35 174.60 1ujo s VAL 63 N 0.72 5.26 0.24 3.17 0.11 -1.26 -5.06 120.40 123.58 1ujo s VAL 63 Ca 0.12 -0.29 -0.30 0.00 -2.93 0.00 0.00 61.98 58.58 1ujo s VAL 63 Cb -0.20 -3.79 -0.09 0.00 -1.53 0.00 0.00 36.38 30.76 1ujo s VAL 63 CO -0.07 -0.11 1.09 -2.16 -3.33 0.00 0.00 175.10 170.52 1ujo s PRO 64 N 1.77 4.64 0.16 1.54 0.04 -1.26 -4.94 135.00 136.94 1ujo s PRO 64 Ca 0.07 1.76 -0.28 0.00 0.04 0.00 0.00 61.00 62.59 1ujo s PRO 64 Cb -0.18 -3.22 -0.05 0.00 0.04 0.00 0.00 34.50 31.10 1ujo s PRO 64 CO 0.11 0.18 1.46 0.39 0.04 0.00 0.00 177.00 179.17 1ujo n GLU 65 N 1.60 -0.40 -2.57 4.56 1.02 -1.26 -4.16 120.64 119.43 1ujo n GLU 65 Ca 0.00 1.43 -0.42 0.00 -0.02 0.00 0.00 57.16 58.15 1ujo n GLU 65 Cb 0.45 -2.10 -0.03 0.00 -0.02 0.00 0.00 31.44 29.74 1ujo n GLU 65 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1ujo s ASN 66 N -5.46 7.27 0.24 1.62 4.22 -1.26 -5.01 114.94 116.56 1ujo s ASN 66 Ca -0.11 1.91 -0.30 0.00 -2.14 0.00 0.00 52.86 52.22 1ujo s ASN 66 Cb 0.11 -2.58 -0.09 0.00 1.28 0.00 0.00 41.25 39.97 1ujo s ASN 66 CO 0.59 -0.29 1.09 -2.16 -2.04 0.00 0.00 177.10 174.30 1ujo s PRO 67 N 0.51 4.64 0.55 3.55 0.04 -1.26 -5.05 135.00 137.98 1ujo s PRO 67 Ca 0.53 1.76 -0.09 0.00 0.04 0.00 0.00 61.00 63.24 1ujo s PRO 67 Cb -0.26 -3.22 0.13 0.00 0.04 0.00 0.00 34.50 31.19 1ujo s PRO 67 CO 0.30 0.18 0.61 -0.35 0.04 0.00 0.00 177.00 177.78 1ujo n PRO 68 N 1.61 -1.36 0.00 0.56 -0.04 -1.26 -5.11 135.00 129.40 1ujo n PRO 68 Ca 0.00 -0.95 0.00 0.00 -0.04 0.00 0.00 63.50 62.51 1ujo n PRO 68 Cb 0.45 -0.75 0.00 0.00 -0.04 0.00 0.00 33.50 33.16 1ujo n PRO 68 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ujo n SER 69 N -3.68 0.07 -1.22 3.54 2.88 -1.26 -4.90 113.62 109.05 1ujo n SER 69 Ca 0.08 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.76 1ujo n SER 69 Cb 0.29 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.70 1ujo n SER 69 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1ujo n MET 70 N 0.00 -2.37 -0.02 -1.46 2.81 -1.26 -2.35 117.12 112.47 1ujo n MET 70 Ca 0.00 1.76 -0.00 0.00 -1.81 0.00 0.00 57.70 57.64 1ujo n MET 70 Cb 0.00 -2.95 -0.00 0.00 -0.71 0.00 0.00 33.22 29.56 1ujo n MET 70 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1ujo h VAL 71 N -1.29 0.00 -0.94 2.03 2.07 -2.00 -2.75 116.25 113.37 1ujo h VAL 71 Ca -0.06 -0.43 0.27 0.00 0.82 0.00 0.00 66.70 67.30 1ujo h VAL 71 Cb 1.29 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.89 1ujo h VAL 71 CO 0.03 0.00 0.13 -0.26 0.02 0.00 0.00 177.57 177.49 1ujo h PHE 72 N -0.43 0.14 0.15 1.57 -1.00 -1.99 0.65 116.94 116.03 1ujo h PHE 72 Ca 0.00 0.06 -0.01 0.00 2.81 0.00 0.00 57.97 60.83 1ujo h PHE 72 Cb 0.05 0.09 0.00 0.00 3.61 0.00 0.00 35.95 39.71 1ujo h PHE 72 CO -0.02 -0.36 -0.07 0.87 -1.61 0.00 0.00 178.31 177.11 1ujo h LYS 73 N 0.07 -0.20 -0.83 1.51 1.57 -1.72 -1.73 116.57 115.24 1ujo h LYS 73 Ca 0.59 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 59.51 1ujo h LYS 73 Cb 1.25 0.04 -0.14 0.00 0.08 0.00 0.00 32.23 33.47 1ujo h LYS 73 CO -0.82 -0.13 -0.40 1.96 -0.57 0.00 0.00 179.45 179.49 1ujo h GLN 74 N -0.23 -0.07 -0.70 3.15 1.08 -0.86 0.39 115.11 117.86 1ujo h GLN 74 Ca -0.02 0.01 0.15 0.00 -1.45 0.00 0.00 58.65 57.33 1ujo h GLN 74 Cb 0.16 0.02 -0.13 0.00 -0.05 0.00 0.00 27.48 27.47 1ujo h GLN 74 CO 0.03 -0.05 -0.10 0.52 -0.95 0.00 0.00 178.83 178.29 1ujo h MET 75 N -0.08 0.04 -0.03 1.46 2.86 0.25 0.22 114.93 119.66 1ujo h MET 75 Ca 0.28 -0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.93 1ujo h MET 75 Cb 0.57 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 1ujo h MET 75 CO -0.86 0.03 -0.04 0.93 1.06 0.00 0.00 176.91 178.03 1ujo h GLU 76 N 0.04 -0.06 -0.83 1.72 5.08 0.65 0.11 114.58 121.29 1ujo h GLU 76 Ca 0.36 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.80 1ujo h GLU 76 Cb 0.58 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.74 1ujo h GLU 76 CO -0.68 -0.04 -0.53 0.37 -1.00 0.00 0.00 179.01 177.13 1ujo h GLN 77 N -0.07 -0.05 -0.04 2.33 -0.00 0.76 1.02 115.11 119.07 1ujo h GLN 77 Ca 0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.68 1ujo h GLN 77 Cb 0.10 0.01 -0.00 0.00 0.00 0.00 0.00 27.48 27.59 1ujo h GLN 77 CO -0.06 -0.03 0.02 0.28 0.00 0.00 0.00 178.83 179.04 1ujo h VAL 78 N -0.05 1.05 -0.82 2.39 2.07 -1.27 -2.39 116.25 117.23 1ujo h VAL 78 Ca 0.13 -0.15 0.20 0.00 0.82 0.00 0.00 66.70 67.70 1ujo h VAL 78 Cb 0.40 1.09 -0.14 0.00 -1.52 0.00 0.00 31.29 31.11 1ujo h VAL 78 CO -0.81 0.04 0.08 0.00 0.02 0.00 0.00 177.57 176.90 1ujo h ALA 79 N 0.96 0.97 -0.64 1.67 0.00 0.17 0.78 119.26 123.18 1ujo h ALA 79 Ca 0.01 0.25 0.11 0.00 0.00 0.00 0.00 54.91 55.28 1ujo h ALA 79 Cb 0.05 0.41 -0.08 0.00 0.00 0.00 0.00 17.79 18.17 1ujo h ALA 79 CO -0.00 -0.45 0.23 1.96 0.00 0.00 0.00 179.25 180.99 1ujo h GLN 80 N 0.13 0.39 -0.18 0.00 4.20 0.15 -0.68 115.11 119.11 1ujo h GLN 80 Ca 0.48 -0.02 -0.10 0.00 0.06 0.00 0.00 58.65 59.07 1ujo h GLN 80 Cb 0.89 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.59 1ujo h GLN 80 CO -0.69 0.25 -0.26 0.35 -0.67 0.00 0.00 178.83 177.81 1ujo h PHE 81 N 0.40 0.61 -0.01 2.96 3.57 0.44 -2.75 116.94 122.16 1ujo h PHE 81 Ca 0.33 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1ujo h PHE 81 Cb 0.44 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 1ujo h PHE 81 CO -0.18 0.90 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.68 1ujo h LEU 82 N 0.15 -0.17 -0.98 0.59 3.38 0.98 1.10 115.31 120.35 1ujo h LEU 82 Ca 0.02 0.02 0.31 0.00 0.09 0.00 0.00 57.88 58.32 1ujo h LEU 82 Cb 0.83 0.06 -0.15 0.00 0.09 0.00 0.00 40.66 41.50 1ujo h LEU 82 CO 0.06 -0.05 0.51 0.50 0.09 0.00 0.00 178.44 179.55 1ujo h LYS 83 N -0.06 0.28 -0.61 1.13 3.64 -1.26 1.44 116.57 121.13 1ujo h LYS 83 Ca 0.00 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1ujo h LYS 83 Cb 0.07 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 1ujo h LYS 83 CO -0.04 0.18 0.27 0.00 -2.27 0.00 0.00 179.45 177.59 1ujo h ALA 84 N 1.85 0.79 -0.38 5.00 0.00 -0.69 -2.69 119.26 123.14 1ujo h ALA 84 Ca 0.71 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.55 1ujo h ALA 84 Cb 1.61 -0.24 -0.09 0.00 0.00 0.00 0.00 17.79 19.08 1ujo h ALA 84 CO -0.63 0.38 -0.24 0.00 0.00 0.00 0.00 179.25 178.77 1ujo h ALA 85 N 1.11 -0.00 -0.52 0.00 0.00 1.05 -0.05 119.26 120.85 1ujo h ALA 85 Ca 0.21 0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.34 1ujo h ALA 85 Cb 0.17 0.54 -0.09 0.00 0.00 0.00 0.00 17.79 18.41 1ujo h ALA 85 CO -0.02 -0.62 -0.02 1.49 0.00 0.00 0.00 179.25 180.09 1ujo h GLU 86 N -0.18 0.10 -0.90 0.00 4.81 -1.09 0.15 114.58 117.47 1ujo h GLU 86 Ca 0.19 -0.01 0.22 0.00 -0.13 0.00 0.00 59.36 59.63 1ujo h GLU 86 Cb 0.47 -0.02 -0.12 0.00 0.63 0.00 0.00 28.75 29.70 1ujo h GLU 86 CO -0.49 0.06 0.42 0.22 -0.73 0.00 0.00 179.01 178.49 1ujo h ASP 87 N 0.10 0.37 -0.39 1.04 3.58 -0.74 0.20 116.42 120.59 1ujo h ASP 87 Ca 0.26 0.15 0.07 0.00 0.42 0.00 0.00 57.03 57.93 1ujo h ASP 87 Cb 0.40 0.12 -0.06 0.00 1.72 0.00 0.00 39.33 41.51 1ujo h ASP 87 CO -0.45 0.02 0.02 0.22 -2.88 0.00 0.00 179.24 176.17 1ujo h TYR 88 N 0.43 0.02 0.00 0.28 3.20 0.00 -3.45 116.97 117.45 1ujo h TYR 88 Ca 0.56 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.46 1ujo h TYR 88 Cb 1.06 0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.38 1ujo h TYR 88 CO -0.12 -0.05 0.00 0.41 -1.64 0.00 0.00 178.16 176.76 1ujo n GLY 89 N -1.26 0.00 3.62 1.82 0.00 0.68 -5.08 105.19 104.97 1ujo n GLY 89 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 1ujo n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ujo s VAL 90 N 0.00 4.72 0.36 1.61 1.01 -1.13 -4.99 120.40 121.98 1ujo s VAL 90 Ca 0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 61.98 61.87 1ujo s VAL 90 Cb 0.00 -3.13 0.08 0.00 0.00 0.00 0.00 36.38 33.33 1ujo s VAL 90 CO 0.00 0.46 0.18 2.30 0.00 0.00 0.00 175.10 178.04 1ujo n ILE 91 N 3.60 0.00 0.31 2.22 -5.35 -1.26 -4.62 119.36 114.26 1ujo n ILE 91 Ca -0.17 0.00 0.09 0.00 -0.27 0.00 0.00 62.75 62.40 1ujo n ILE 91 Cb 0.52 -0.21 -0.12 0.00 -1.74 0.00 0.00 39.64 38.09 1ujo n ILE 91 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1ujo n LYS 92 N -1.84 0.80 0.00 6.28 4.81 -1.26 -4.04 118.16 122.91 1ujo n LYS 92 Ca 0.03 -0.10 0.14 0.00 -0.87 0.00 0.00 58.31 57.50 1ujo n LYS 92 Cb 0.13 -1.39 0.47 0.00 0.02 0.00 0.00 35.03 34.26 1ujo n LYS 92 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1ujo n THR 93 N -1.86 0.00 -0.03 3.15 -2.24 -1.26 -3.60 114.28 108.44 1ujo n THR 93 Ca -0.01 -0.20 0.03 0.00 -2.27 0.00 0.00 64.05 61.60 1ujo n THR 93 Cb 0.40 0.45 -0.13 0.00 -2.10 0.00 0.00 70.33 68.95 1ujo n THR 93 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ujo n ASP 94 N -0.14 1.13 -4.75 3.42 9.92 -1.26 -4.96 116.55 119.91 1ujo n ASP 94 Ca 0.16 0.00 -0.41 0.00 -0.53 0.00 0.00 54.79 54.02 1ujo n ASP 94 Cb 0.35 1.48 -0.04 0.00 -0.64 0.00 0.00 41.12 42.27 1ujo n ASP 94 CO 0.00 0.00 0.00 -0.04 0.13 0.00 0.00 177.20 177.29 1ujo s MET 95 N -2.91 4.62 0.51 -1.24 -1.94 -1.24 -2.33 119.30 114.77 1ujo s MET 95 Ca -0.07 1.76 0.04 0.00 -1.71 0.00 0.00 55.69 55.71 1ujo s MET 95 Cb 0.09 -3.24 0.04 0.00 2.01 0.00 0.00 34.83 33.73 1ujo s MET 95 CO 0.68 0.14 0.34 1.97 -0.01 0.00 0.00 175.02 178.14 1ujo n PHE 96 N 1.82 -0.42 -3.60 -0.03 -1.74 -1.26 -5.01 117.46 107.22 1ujo n PHE 96 Ca 0.01 -2.21 -0.37 0.00 -0.56 0.00 0.00 57.45 54.32 1ujo n PHE 96 Cb 0.45 -0.41 -0.06 0.00 1.52 0.00 0.00 39.48 40.98 1ujo n PHE 96 CO 0.00 0.00 0.00 -0.65 -0.56 0.00 0.00 176.76 175.55 1ujo s GLN 97 N -4.07 3.96 0.26 3.97 -0.21 -1.26 -4.97 119.66 117.33 1ujo s GLN 97 Ca 0.26 0.15 -0.04 0.00 0.02 0.00 0.00 55.36 55.75 1ujo s GLN 97 Cb -0.02 -3.30 0.51 0.00 1.00 0.00 0.00 33.01 31.20 1ujo s GLN 97 CO 0.16 0.51 1.38 2.41 -2.12 0.00 0.00 175.29 177.64 1ujo n THR 98 N 2.63 -0.37 0.09 -0.19 -1.04 -1.26 0.14 114.28 114.29 1ujo n THR 98 Ca -0.14 1.99 -0.12 0.00 -2.04 0.00 0.00 64.05 63.74 1ujo n THR 98 Cb 0.53 -2.82 -0.06 0.00 -1.82 0.00 0.00 70.33 66.16 1ujo n THR 98 CO 0.00 0.00 0.00 1.62 -0.64 0.00 0.00 175.07 176.05 1ujo h VAL 99 N 0.00 0.61 -1.80 12.58 3.04 -1.95 1.62 116.25 130.34 1ujo h VAL 99 Ca 0.47 0.00 0.54 0.00 -1.01 0.00 0.00 66.70 66.69 1ujo h VAL 99 Cb 0.82 0.61 -0.09 0.00 -2.01 0.00 0.00 31.29 30.62 1ujo h VAL 99 CO -0.88 0.00 1.28 0.47 -1.01 0.00 0.00 177.57 177.43 1ujo n ASP 100 N -5.30 0.04 -0.07 3.17 9.92 0.38 0.13 116.55 124.82 1ujo n ASP 100 Ca -0.06 1.03 -0.07 0.00 -0.53 0.00 0.00 54.79 55.15 1ujo n ASP 100 Cb 0.21 -0.51 -0.02 0.00 -0.64 0.00 0.00 41.12 40.16 1ujo n ASP 100 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1ujo n LEU 101 N -4.00 1.60 -0.17 0.64 7.94 -0.10 -1.62 117.00 121.28 1ujo n LEU 101 Ca 0.42 0.29 -0.11 0.00 -1.11 0.00 0.00 56.01 55.51 1ujo n LEU 101 Cb 1.87 -0.71 -0.07 0.00 0.53 0.00 0.00 43.42 45.05 1ujo n LEU 101 CO 0.38 -0.32 0.54 0.22 -1.11 0.00 0.00 177.39 177.10 1ujo h TYR 102 N -0.83 -1.48 -0.42 1.96 3.20 0.35 0.36 116.97 120.11 1ujo h TYR 102 Ca 0.00 0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1ujo h TYR 102 Cb 0.80 0.71 0.00 0.00 1.54 0.00 0.00 36.73 39.79 1ujo h TYR 102 CO -0.35 -0.45 0.00 0.39 -1.64 0.00 0.00 178.16 176.11 1ujo n GLU 103 N -5.39 3.38 -3.98 1.82 -0.58 0.35 -4.90 120.64 111.33 1ujo n GLU 103 Ca -0.01 -2.11 -0.34 0.00 -0.42 0.00 0.00 57.16 54.28 1ujo n GLU 103 Cb 0.34 -1.89 -0.07 0.00 -0.57 0.00 0.00 31.44 29.25 1ujo n GLU 103 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ujo n GLY 104 N 0.63 -0.30 0.22 0.62 0.00 0.12 -4.73 105.19 101.75 1ujo n GLY 104 Ca 0.19 0.07 -0.02 0.00 0.00 0.00 0.00 46.02 46.26 1ujo n GLY 104 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ujo h LYS 105 N -0.77 0.34 -1.51 1.61 1.57 -1.28 -3.40 116.57 113.13 1ujo h LYS 105 Ca -0.49 -0.13 -0.13 0.00 -1.87 0.00 0.00 60.65 58.03 1ujo h LYS 105 Cb 1.13 -0.02 -0.26 0.00 0.08 0.00 0.00 32.23 33.16 1ujo h LYS 105 CO 0.71 0.61 -0.49 -0.51 -0.57 0.00 0.00 179.45 179.20 1ujo s ASP 106 N -6.85 -0.18 -0.01 0.86 1.11 -0.68 -4.96 116.67 105.95 1ujo s ASP 106 Ca -0.06 -0.20 -0.11 0.00 0.18 0.00 0.00 52.55 52.36 1ujo s ASP 106 Cb 0.14 1.37 -0.32 0.00 1.07 0.00 0.00 42.92 45.18 1ujo s ASP 106 CO 0.77 -0.34 0.82 -0.03 1.18 0.00 0.00 175.17 177.57 1ujo h MET 107 N 8.12 0.42 -1.68 8.23 1.85 -1.79 -3.24 114.93 126.84 1ujo h MET 107 Ca -0.07 -0.72 0.52 0.00 -0.61 0.00 0.00 59.70 58.82 1ujo h MET 107 Cb 1.14 0.27 -0.10 0.00 0.43 0.00 0.00 31.60 33.33 1ujo h MET 107 CO 0.23 1.33 1.16 0.00 -0.40 0.00 0.00 176.91 179.24 1ujo h ALA 108 N 0.20 3.38 0.00 0.39 0.00 -1.95 1.08 119.26 122.36 1ujo h ALA 108 Ca -0.30 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 1ujo h ALA 108 Cb 2.11 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 20.08 1ujo h ALA 108 CO 0.21 -1.98 -0.31 0.00 0.00 0.00 0.00 179.25 177.17 1ujo h ALA 109 N 1.29 0.06 -1.81 0.00 0.00 -1.95 -3.13 119.26 113.71 1ujo h ALA 109 Ca 0.89 -0.67 0.53 0.00 0.00 0.00 0.00 54.91 55.66 1ujo h ALA 109 Cb 3.27 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 21.16 1ujo h ALA 109 CO -0.20 0.17 1.31 0.28 0.00 0.00 0.00 179.25 180.81 1ujo h VAL 110 N -0.98 0.09 0.02 0.00 2.07 0.11 0.93 116.25 118.48 1ujo h VAL 110 Ca -0.08 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 1ujo h VAL 110 Cb 1.09 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1ujo h VAL 110 CO -0.04 0.00 -0.01 1.56 0.02 0.00 0.00 177.57 179.10 1ujo h GLN 111 N 0.00 -0.02 -1.52 1.57 4.20 -1.22 -3.19 115.11 114.92 1ujo h GLN 111 Ca 0.86 0.00 0.46 0.00 0.06 0.00 0.00 58.65 60.03 1ujo h GLN 111 Cb 3.47 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 31.16 1ujo h GLN 111 CO -0.01 0.74 1.06 -0.09 -0.67 0.00 0.00 178.83 179.86 1ujo h ARG 112 N -0.93 0.05 0.29 1.46 2.43 0.92 0.66 114.38 119.27 1ujo h ARG 112 Ca -0.00 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1ujo h ARG 112 Cb 0.77 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 1ujo h ARG 112 CO 0.00 0.03 -0.14 1.15 -1.51 0.00 0.00 179.97 179.51 1ujo h THR 113 N 0.05 0.58 0.14 0.20 2.02 -0.96 -3.06 112.91 111.87 1ujo h THR 113 Ca 0.80 -0.79 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1ujo h THR 113 Cb 2.90 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 70.22 1ujo h THR 113 CO -0.17 0.13 -0.12 -0.07 0.37 0.00 0.00 175.52 175.66 1ujo h LEU 114 N -0.91 -0.30 -1.67 2.58 3.38 -0.22 0.32 115.31 118.50 1ujo h LEU 114 Ca -0.04 0.03 0.37 0.00 0.09 0.00 0.00 57.88 58.33 1ujo h LEU 114 Cb 0.51 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.31 1ujo h LEU 114 CO 0.07 -0.18 1.11 0.24 0.09 0.00 0.00 178.44 179.76 1ujo h MET 115 N -0.27 0.00 0.06 1.13 2.86 -0.02 0.80 114.93 119.48 1ujo h MET 115 Ca -0.00 0.00 -0.36 0.00 -2.06 0.00 0.00 59.70 57.28 1ujo h MET 115 Cb 0.25 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.87 1ujo h MET 115 CO -0.01 0.00 -2.02 0.00 1.06 0.00 0.00 176.91 175.93 1ujo n ALA 116 N -2.58 1.03 0.25 6.32 0.00 -0.46 -3.54 120.51 121.53 1ujo n ALA 116 Ca 0.28 -0.75 -0.17 0.00 0.00 0.00 0.00 53.44 52.81 1ujo n ALA 116 Cb 1.51 -0.43 -0.09 0.00 0.00 0.00 0.00 19.45 20.44 1ujo n ALA 116 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1ujo h LEU 117 N -0.29 -1.23 0.13 0.00 5.85 0.41 0.41 115.31 120.58 1ujo h LEU 117 Ca -0.48 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1ujo h LEU 117 Cb 1.80 0.41 -0.03 0.00 0.37 0.00 0.00 40.66 43.22 1ujo h LEU 117 CO -0.08 -0.59 -0.35 1.23 -0.34 0.00 0.00 178.44 178.31 1ujo h GLY 118 N -0.88 -1.17 -0.25 3.75 0.00 -0.26 -0.41 103.07 103.85 1ujo h GLY 118 Ca -0.04 0.59 0.28 0.00 0.00 0.00 0.00 47.33 48.15 1ujo h GLY 118 CO -0.08 -0.34 0.64 0.23 0.00 0.00 0.00 176.54 176.99 1ujo h SER 119 N -0.53 0.53 -0.69 0.19 0.87 -1.58 0.84 113.55 113.18 1ujo h SER 119 Ca -0.01 0.12 0.02 0.00 -1.23 0.00 0.00 61.79 60.69 1ujo h SER 119 Cb 0.51 0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 62.48 1ujo h SER 119 CO -0.16 0.05 0.44 -0.07 -0.53 0.00 0.00 176.83 176.56 1ujo h LEU 120 N 0.44 0.74 -0.47 2.23 3.38 0.12 1.16 115.31 122.90 1ujo h LEU 120 Ca 0.65 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 58.45 1ujo h LEU 120 Cb 1.49 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 1ujo h LEU 120 CO -0.41 0.52 -0.45 0.00 0.09 0.00 0.00 178.44 178.20 1ujo h ALA 121 N 1.28 0.65 -0.20 1.53 0.00 0.21 -1.63 119.26 121.10 1ujo h ALA 121 Ca 0.27 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1ujo h ALA 121 Cb -0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1ujo h ALA 121 CO -0.09 0.67 0.01 0.28 0.00 0.00 0.00 179.25 180.13 1ujo h VAL 122 N 0.61 1.24 0.45 0.00 2.07 0.39 -2.81 116.25 118.22 1ujo h VAL 122 Ca 0.04 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 1ujo h VAL 122 Cb 1.01 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 1ujo h VAL 122 CO 0.10 0.25 -0.40 0.74 0.02 0.00 0.00 177.57 178.28 1ujo h THR 123 N 0.11 0.20 -0.98 2.57 2.02 0.14 -2.75 112.91 114.21 1ujo h THR 123 Ca 0.06 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.36 1ujo h THR 123 Cb 0.36 0.20 -0.14 0.00 -1.74 0.00 0.00 68.15 66.83 1ujo h THR 123 CO 0.01 0.00 -0.49 0.11 0.37 0.00 0.00 175.52 175.52 1ujo h LYS 124 N -0.85 -0.01 -6.78 6.66 1.57 -1.29 -3.45 116.57 112.41 1ujo h LYS 124 Ca -0.04 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.23 1ujo h LYS 124 Cb 0.74 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.05 1ujo h LYS 124 CO -0.03 -0.01 -1.09 -1.71 -0.57 0.00 0.00 179.45 176.05 1ujo n ASN 125 N -5.36 -4.73 0.00 0.86 5.15 -1.04 -4.86 115.26 105.27 1ujo n ASN 125 Ca 0.06 -1.02 0.00 0.00 -0.60 0.00 0.00 54.58 53.02 1ujo n ASN 125 Cb 0.33 -1.66 0.00 0.00 -0.53 0.00 0.00 39.78 37.92 1ujo n ASN 125 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1ujo n ASP 126 N -2.56 0.47 0.00 1.20 8.00 -1.26 -5.07 116.55 117.33 1ujo n ASP 126 Ca -0.29 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.21 1ujo n ASP 126 Cb 0.68 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.78 1ujo n ASP 126 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ujo n GLY 127 N 2.06 -0.90 1.42 0.44 0.00 -1.26 -5.11 105.19 101.84 1ujo n GLY 127 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1ujo n GLY 127 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ujo n ASN 128 N 0.00 0.20 -2.30 1.61 3.02 -1.26 -4.87 115.26 111.66 1ujo n ASN 128 Ca 0.00 0.10 -0.04 0.00 -0.03 0.00 0.00 54.58 54.62 1ujo n ASN 128 Cb 0.00 -0.01 0.02 0.00 -0.61 0.00 0.00 39.78 39.19 1ujo n ASN 128 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ujo n TYR 129 N -2.85 -3.76 0.01 3.10 4.11 -1.26 -4.40 117.16 112.11 1ujo n TYR 129 Ca 0.00 -0.20 0.00 0.00 -0.00 0.00 0.00 57.90 57.70 1ujo n TYR 129 Cb 0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 39.34 39.21 1ujo n TYR 129 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1ujo n ARG 130 N -1.35 0.00 -1.20 -3.48 5.12 -1.26 -5.06 116.66 109.43 1ujo n ARG 130 Ca 0.02 0.00 -0.44 0.00 -1.93 0.00 0.00 57.85 55.51 1ujo n ARG 130 Cb 0.08 -0.49 -0.04 0.00 -1.16 0.00 0.00 32.46 30.85 1ujo n ARG 130 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ujo n GLY 131 N 3.09 -0.95 3.50 -0.13 0.00 -1.26 -4.79 105.19 104.66 1ujo n GLY 131 Ca 0.00 0.43 -0.37 0.00 0.00 0.00 0.00 46.02 46.07 1ujo n GLY 131 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ujo n ASP 132 N 1.49 -0.65 0.02 1.61 8.00 -1.26 -4.91 116.55 120.85 1ujo n ASP 132 Ca 0.16 0.71 -0.19 0.00 0.71 0.00 0.00 54.79 56.18 1ujo n ASP 132 Cb 0.15 -1.24 -0.09 0.00 -0.02 0.00 0.00 41.12 39.92 1ujo n ASP 132 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1ujo h PRO 133 N 0.13 0.72 -2.52 -0.24 0.13 -1.90 -3.30 132.00 125.02 1ujo h PRO 133 Ca -0.46 -0.71 -0.37 0.00 -0.87 0.00 0.00 66.00 63.59 1ujo h PRO 133 Cb 1.38 0.18 -0.02 0.00 0.13 0.00 0.00 31.00 32.67 1ujo h PRO 133 CO 0.47 1.29 1.43 0.27 -0.23 0.00 0.00 178.00 181.23 1ujo n ASN 134 N -3.91 6.26 0.01 1.44 0.23 -1.26 -3.91 115.26 114.12 1ujo n ASN 134 Ca -0.10 -2.46 -0.00 0.00 -0.53 0.00 0.00 54.58 51.49 1ujo n ASN 134 Cb 0.82 -1.38 -0.00 0.00 -2.08 0.00 0.00 39.78 37.14 1ujo n ASN 134 CO 0.00 0.00 0.00 0.79 -0.93 0.00 0.00 177.26 177.12 1ujo n TRP 135 N 3.05 0.00 -0.06 -2.53 7.02 -1.24 -4.80 117.44 118.88 1ujo n TRP 135 Ca 0.54 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.95 1ujo n TRP 135 Cb 0.57 -0.01 0.09 0.00 -2.42 0.00 0.00 31.31 29.54 1ujo n TRP 135 CO 0.00 0.00 0.00 0.74 -2.02 0.00 0.00 177.69 176.41 1ujo h PHE 136 N -0.02 0.81 -4.12 -5.99 -1.00 -1.84 -3.45 116.94 101.34 1ujo h PHE 136 Ca 0.00 -0.20 -0.50 0.00 2.81 0.00 0.00 57.97 60.08 1ujo h PHE 136 Cb 0.02 -0.19 0.17 0.00 3.61 0.00 0.00 35.95 39.57 1ujo h PHE 136 CO -0.01 0.91 0.23 -1.64 -1.61 0.00 0.00 178.31 176.19 1ujo s MET 137 N -4.47 1.16 -0.18 1.51 -1.94 -1.26 -4.59 119.30 109.53 1ujo s MET 137 Ca -0.09 1.21 -0.03 0.00 -1.71 0.00 0.00 55.69 55.07 1ujo s MET 137 Cb 0.13 -1.77 0.01 0.00 2.01 0.00 0.00 34.83 35.21 1ujo s MET 137 CO 0.83 -2.42 0.06 1.63 -0.01 0.00 0.00 175.02 175.11 1ujo n LYS 138 N -4.06 -2.63 0.14 2.03 5.02 -1.26 -4.96 118.16 112.44 1ujo n LYS 138 Ca 0.09 2.21 0.00 0.00 -2.02 0.00 0.00 58.31 58.59 1ujo n LYS 138 Cb 0.53 -3.88 0.00 0.00 -0.02 0.00 0.00 35.03 31.66 1ujo n LYS 138 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1ujo n SER 139 N 0.71 -0.07 0.00 4.39 3.41 -1.26 -5.04 113.62 115.75 1ujo n SER 139 Ca -0.10 0.47 0.00 0.00 -0.26 0.00 0.00 58.87 58.98 1ujo n SER 139 Cb 0.16 0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1ujo n SER 139 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ujo n GLY 140 N 1.67 -2.06 3.62 5.00 0.00 -1.26 -5.10 105.19 107.06 1ujo n GLY 140 Ca 0.00 -1.19 -0.43 0.00 0.00 0.00 0.00 46.02 44.40 1ujo n GLY 140 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ujo s PRO 141 N -1.81 3.74 0.02 1.61 0.04 -1.26 -4.99 135.00 132.35 1ujo s PRO 141 Ca 0.00 1.13 0.01 0.00 0.04 0.00 0.00 61.00 62.18 1ujo s PRO 141 Cb 0.00 -3.96 -0.02 0.00 0.04 0.00 0.00 34.50 30.56 1ujo s PRO 141 CO 0.00 -1.35 -0.05 0.45 0.04 0.00 0.00 177.00 176.09 1ujo s SER 142 N 3.45 0.57 0.10 6.66 0.15 -1.26 -5.16 113.70 118.22 1ujo s SER 142 Ca 0.60 -0.41 0.02 0.00 0.70 0.00 0.00 55.95 56.86 1ujo s SER 142 Cb -0.16 0.03 -0.04 0.00 -1.71 0.00 0.00 66.02 64.15 1ujo s SER 142 CO 0.28 -0.17 0.17 -0.55 1.20 0.00 0.00 173.24 174.17 1ujo s SER 143 N -1.17 5.96 0.00 5.45 0.15 -1.26 -5.25 113.70 117.58 1ujo s SER 143 Ca -0.09 0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.66 1ujo s SER 143 Cb -0.08 -1.72 0.00 0.00 -1.71 0.00 0.00 66.02 62.52 1ujo s SER 143 CO -0.00 0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.18