#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 -7.39 -4.69 1.61 2.88 -1.26 -4.78 113.62 99.98 1ujo n SER 2 Ca 0.00 1.42 -0.40 0.00 -1.33 0.00 0.00 58.87 58.56 1ujo n SER 2 Cb 0.00 -4.66 -0.05 0.00 -0.75 0.00 0.00 64.21 58.75 1ujo n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ujo s SER 3 N -6.85 6.88 -1.12 -3.46 0.15 -1.26 -4.98 113.70 103.06 1ujo s SER 3 Ca 0.00 1.07 -0.04 0.00 0.70 0.00 0.00 55.95 57.68 1ujo s SER 3 Cb 0.00 -2.39 0.27 0.00 -1.71 0.00 0.00 66.02 62.19 1ujo s SER 3 CO 0.00 -0.20 1.74 0.61 1.20 0.00 0.00 173.24 176.59 1ujo n GLY 4 N 3.35 5.40 3.83 9.45 0.00 -1.26 -4.93 105.19 121.02 1ujo n GLY 4 Ca -0.01 -2.49 -0.31 0.00 0.00 0.00 0.00 46.02 43.21 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 -1.05 5.55 -0.98 1.61 0.15 -1.26 -5.00 113.70 112.72 1ujo s SER 5 Ca 0.37 1.59 -0.07 0.00 0.70 0.00 0.00 55.95 58.54 1ujo s SER 5 Cb 0.11 -2.49 0.24 0.00 -1.71 0.00 0.00 66.02 62.17 1ujo s SER 5 CO 0.01 -1.33 0.92 -0.44 1.20 0.00 0.00 173.24 173.60 1ujo s SER 6 N -3.83 6.70 0.00 5.45 0.01 -1.26 -4.76 113.70 116.02 1ujo s SER 6 Ca 0.58 -3.47 0.00 0.00 1.31 0.00 0.00 55.95 54.37 1ujo s SER 6 Cb -0.13 -2.09 0.00 0.00 0.21 0.00 0.00 66.02 64.00 1ujo s SER 6 CO 0.54 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.50 1ujo n GLY 7 N 2.80 -1.74 1.20 3.44 0.00 -1.26 -5.04 105.19 104.60 1ujo n GLY 7 Ca 0.21 0.75 0.14 0.00 0.00 0.00 0.00 46.02 47.12 1ujo n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ujo n GLU 8 N 0.00 -2.34 -0.08 1.61 4.71 -1.26 -4.12 120.64 119.16 1ujo n GLU 8 Ca 0.00 1.71 -0.09 0.00 -0.01 0.00 0.00 57.16 58.77 1ujo n GLU 8 Cb 0.00 -2.91 -0.05 0.00 -1.01 0.00 0.00 31.44 27.47 1ujo n GLU 8 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 1ujo h GLU 9 N -1.24 0.00 -0.77 3.49 5.08 -2.02 -3.33 114.58 115.79 1ujo h GLU 9 Ca -0.05 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.38 1ujo h GLU 9 Cb 1.28 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.44 1ujo h GLU 9 CO 0.03 0.36 -0.47 1.25 -1.00 0.00 0.00 179.01 179.18 1ujo h LEU 10 N -1.00 -1.71 -0.96 1.33 6.46 -2.00 0.23 115.31 117.66 1ujo h LEU 10 Ca -0.09 0.26 0.12 0.00 -0.12 0.00 0.00 57.88 58.05 1ujo h LEU 10 Cb 0.66 0.76 -0.14 0.00 -0.73 0.00 0.00 40.66 41.21 1ujo h LEU 10 CO -0.05 -0.19 -0.45 -0.62 -0.62 0.00 0.00 178.44 176.50 1ujo n GLU 11 N -4.79 -0.30 -0.23 1.25 1.02 -1.26 0.50 120.64 116.82 1ujo n GLU 11 Ca 0.01 1.47 -0.07 0.00 -0.02 0.00 0.00 57.16 58.55 1ujo n GLU 11 Cb 0.21 -2.17 -0.02 0.00 -0.02 0.00 0.00 31.44 29.44 1ujo n GLU 11 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1ujo h GLU 12 N 0.00 -0.18 0.21 3.49 5.08 -0.68 0.83 114.58 123.34 1ujo h GLU 12 Ca 0.26 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 1ujo h GLU 12 Cb 0.50 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1ujo h GLU 12 CO -0.93 -0.12 -0.10 0.00 -1.00 0.00 0.00 179.01 176.85 1ujo h ARG 13 N -0.18 -0.28 -0.95 2.33 3.08 0.38 -0.36 114.38 118.39 1ujo h ARG 13 Ca 0.20 0.02 0.14 0.00 0.07 0.00 0.00 59.98 60.42 1ujo h ARG 13 Cb 0.56 0.06 -0.15 0.00 0.08 0.00 0.00 29.97 30.52 1ujo h ARG 13 CO -0.73 -0.17 -0.40 -0.07 -1.07 0.00 0.00 179.97 177.54 1ujo h LEU 14 N -0.31 -1.46 0.06 3.04 3.38 0.16 0.52 115.31 120.70 1ujo h LEU 14 Ca -0.03 0.30 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 1ujo h LEU 14 Cb 0.24 0.75 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1ujo h LEU 14 CO 0.05 -0.29 -0.03 0.58 0.09 0.00 0.00 178.44 178.84 1ujo h VAL 15 N -0.02 0.97 -0.69 1.22 2.07 -0.66 -0.90 116.25 118.24 1ujo h VAL 15 Ca 0.32 -0.09 0.20 0.00 0.82 0.00 0.00 66.70 67.95 1ujo h VAL 15 Cb 0.58 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 1ujo h VAL 15 CO -0.95 0.02 0.82 -0.33 0.02 0.00 0.00 177.57 177.15 1ujo h GLU 16 N -0.12 0.00 0.00 1.57 5.08 0.17 0.66 114.58 121.93 1ujo h GLU 16 Ca -0.01 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1ujo h GLU 16 Cb 0.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1ujo h GLU 16 CO 0.01 0.00 -0.34 2.35 -1.00 0.00 0.00 179.01 180.03 1ujo h TRP 17 N 0.00 0.00 -0.06 4.33 7.01 0.45 -3.15 115.95 124.53 1ujo h TRP 17 Ca 0.33 0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.34 1ujo h TRP 17 Cb 1.96 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 29.01 1ujo h TRP 17 CO 0.00 0.45 0.38 0.82 -2.79 0.00 0.00 178.44 177.30 1ujo h ILE 18 N -1.00 0.05 0.12 2.65 2.04 0.73 0.51 117.51 122.62 1ujo h ILE 18 Ca -0.06 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 1ujo h ILE 18 Cb 0.55 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1ujo h ILE 18 CO -0.03 0.00 -0.06 0.58 0.00 0.00 0.00 178.15 178.64 1ujo h VAL 19 N 0.00 0.97 -0.56 1.67 2.07 0.06 0.22 116.25 120.68 1ujo h VAL 19 Ca 0.03 -1.24 -0.09 0.00 0.82 0.00 0.00 66.70 66.22 1ujo h VAL 19 Cb 0.79 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 32.18 1ujo h VAL 19 CO -0.00 0.26 -0.02 -0.37 0.02 0.00 0.00 177.57 177.46 1ujo h VAL 20 N -0.84 1.26 0.00 2.57 -1.51 -0.73 1.57 116.25 118.58 1ujo h VAL 20 Ca -0.02 -1.13 0.00 0.00 -1.23 0.00 0.00 66.70 64.32 1ujo h VAL 20 Cb 0.55 0.85 0.00 0.00 -2.13 0.00 0.00 31.29 30.56 1ujo h VAL 20 CO 0.03 0.41 0.00 0.00 -1.23 0.00 0.00 177.57 176.77 1ujo n GLN 21 N -4.18 0.00 0.22 5.19 1.13 0.15 -3.96 117.38 115.92 1ujo n GLN 21 Ca 0.03 0.45 -0.15 0.00 -1.94 0.00 0.00 57.00 55.38 1ujo n GLN 21 Cb 0.34 -1.35 -0.08 0.00 0.11 0.00 0.00 30.24 29.26 1ujo n GLN 21 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ujo n GLY 23 N -1.03 1.15 2.27 0.00 0.00 0.54 -4.75 105.19 103.37 1ujo n GLY 23 Ca -0.11 -2.22 -0.17 0.00 0.00 0.00 0.00 46.02 43.52 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 -0.51 2.02 0.00 1.61 -0.04 -1.26 -3.23 135.00 133.59 1ujo n PRO 24 Ca 0.00 -1.17 0.00 0.00 -0.04 0.00 0.00 63.50 62.29 1ujo n PRO 24 Cb 0.00 -2.17 0.00 0.00 -0.04 0.00 0.00 33.50 31.29 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 3.16 0.85 0.20 3.54 2.03 -1.26 -4.76 116.55 120.32 1ujo n ASP 25 Ca 0.43 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.80 1ujo n ASP 25 Cb 0.48 0.00 0.42 0.00 -0.72 0.00 0.00 41.12 41.30 1ujo n ASP 25 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1ujo h VAL 26 N 0.00 0.95 0.00 5.18 -1.51 -1.88 -3.48 116.25 115.50 1ujo h VAL 26 Ca 0.00 -1.25 0.00 0.00 -1.23 0.00 0.00 66.70 64.22 1ujo h VAL 26 Cb 0.51 1.73 0.00 0.00 -2.13 0.00 0.00 31.29 31.40 1ujo h VAL 26 CO 0.00 0.32 0.00 0.61 -1.23 0.00 0.00 177.57 177.27 1ujo n GLY 27 N -0.18 -0.51 3.31 5.19 0.00 -1.26 -4.99 105.19 106.75 1ujo n GLY 27 Ca -0.01 -1.32 -0.18 0.00 0.00 0.00 0.00 46.02 44.51 1ujo n GLY 27 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ujo s ARG 28 N 0.00 1.55 0.02 1.61 0.52 -1.26 -4.90 118.95 116.49 1ujo s ARG 28 Ca 0.00 -1.87 -0.30 0.00 -0.52 0.00 0.00 55.73 53.03 1ujo s ARG 28 Cb 0.00 -0.00 -0.05 0.00 0.52 0.00 0.00 34.95 35.42 1ujo s ARG 28 CO 0.00 -0.46 1.18 -1.25 0.02 0.00 0.00 175.30 174.80 1ujo s PRO 29 N -3.83 4.42 0.35 3.54 0.04 -1.26 -5.00 135.00 133.25 1ujo s PRO 29 Ca 0.37 1.71 -0.28 0.00 0.04 0.00 0.00 61.00 62.84 1ujo s PRO 29 Cb 0.05 -3.43 -0.10 0.00 0.04 0.00 0.00 34.50 31.07 1ujo s PRO 29 CO 0.18 -0.30 1.24 -0.51 0.04 0.00 0.00 177.00 177.64 1ujo s ASP 30 N 1.20 6.74 1.35 6.66 1.01 -1.26 -4.89 116.67 127.49 1ujo s ASP 30 Ca 0.57 2.54 -0.19 0.00 0.71 0.00 0.00 52.55 56.18 1ujo s ASP 30 Cb -0.27 -2.64 0.35 0.00 1.01 0.00 0.00 42.92 41.37 1ujo s ASP 30 CO 0.27 -0.54 0.95 0.00 0.21 0.00 0.00 175.17 176.06 1ujo s ARG 31 N -1.90 -2.39 0.57 8.23 1.04 -1.26 -4.25 118.95 119.00 1ujo s ARG 31 Ca 0.51 0.46 0.00 0.00 -1.04 0.00 0.00 55.73 55.66 1ujo s ARG 31 Cb -0.36 -1.41 0.00 0.00 -2.04 0.00 0.00 34.95 31.14 1ujo s ARG 31 CO 0.47 -4.60 0.00 0.41 -0.04 0.00 0.00 175.30 171.54 1ujo n GLY 32 N 1.48 -3.87 6.02 3.88 0.00 -1.26 -4.82 105.19 106.63 1ujo n GLY 32 Ca 0.08 -0.92 0.01 0.00 0.00 0.00 0.00 46.02 45.19 1ujo n GLY 32 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ujo n ARG 33 N -2.95 -0.21 0.00 1.61 0.63 -1.26 -3.96 116.66 110.52 1ujo n ARG 33 Ca -0.02 0.14 0.00 0.00 -0.92 0.00 0.00 57.85 57.05 1ujo n ARG 33 Cb 0.51 -0.26 0.00 0.00 0.45 0.00 0.00 32.46 33.16 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 0.00 0.00 0.00 6.15 4.77 -1.26 -4.70 117.00 121.96 1ujo n LEU 34 Ca 0.00 0.70 0.00 0.00 -0.03 0.00 0.00 56.01 56.68 1ujo n LEU 34 Cb 0.05 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1ujo n LEU 34 CO 0.00 -0.20 0.00 0.61 -1.33 0.00 0.00 177.39 176.47 1ujo n GLY 35 N -0.97 1.34 0.17 -0.72 0.00 -1.25 -4.38 105.19 99.37 1ujo n GLY 35 Ca 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.32 -0.94 1.61 3.57 -1.84 -1.33 116.94 117.69 1ujo h PHE 36 Ca 0.00 -0.01 0.26 0.00 3.53 0.00 0.00 57.97 61.75 1ujo h PHE 36 Cb 0.00 0.11 -0.14 0.00 2.79 0.00 0.00 35.95 38.71 1ujo h PHE 36 CO 0.00 -0.20 0.42 0.37 -2.23 0.00 0.00 178.31 176.67 1ujo h GLN 37 N -0.94 0.33 -0.20 1.11 -0.00 -1.93 1.25 115.11 114.73 1ujo h GLN 37 Ca -0.04 -0.02 -0.13 0.00 -0.00 0.00 0.00 58.65 58.47 1ujo h GLN 37 Cb 0.27 -0.07 -0.01 0.00 0.00 0.00 0.00 27.48 27.66 1ujo h GLN 37 CO 0.06 0.22 -0.42 0.28 0.00 0.00 0.00 178.83 178.97 1ujo h VAL 38 N 0.34 1.31 -0.65 2.39 2.07 -1.89 -1.78 116.25 118.04 1ujo h VAL 38 Ca 0.62 -1.58 0.01 0.00 0.82 0.00 0.00 66.70 66.58 1ujo h VAL 38 Cb 1.28 1.60 -0.04 0.00 -1.52 0.00 0.00 31.29 32.62 1ujo h VAL 38 CO -0.59 0.49 0.42 -0.25 0.02 0.00 0.00 177.57 177.66 1ujo h TRP 39 N 0.39 0.79 -1.24 1.57 7.01 0.27 -1.81 115.95 122.93 1ujo h TRP 39 Ca 0.03 0.02 -0.68 0.00 2.11 0.00 0.00 58.89 60.37 1ujo h TRP 39 Cb 0.90 -0.26 -0.31 0.00 -2.10 0.00 0.00 29.16 27.38 1ujo h TRP 39 CO 0.03 0.48 0.61 1.28 -2.79 0.00 0.00 178.44 178.05 1ujo n LEU 40 N -4.66 7.14 -0.06 0.65 4.77 0.18 -4.50 117.00 120.52 1ujo n LEU 40 Ca 0.06 -4.54 -0.07 0.00 -0.03 0.00 0.00 56.01 51.43 1ujo n LEU 40 Cb 0.04 -0.89 -0.02 0.00 -2.33 0.00 0.00 43.42 40.22 1ujo n LEU 40 CO 0.35 1.67 -0.53 1.17 -1.33 0.00 0.00 177.39 178.72 1ujo n LYS 41 N -0.78 0.41 -0.32 3.23 4.81 -0.68 -4.64 118.16 120.20 1ujo n LYS 41 Ca 0.57 0.16 -0.05 0.00 -0.87 0.00 0.00 58.31 58.12 1ujo n LYS 41 Cb 0.60 -1.22 -0.01 0.00 0.02 0.00 0.00 35.03 34.42 1ujo n LYS 41 CO 0.00 0.00 0.00 -0.97 1.17 0.00 0.00 177.40 177.60 1ujo h ASN 42 N -0.77 -1.55 0.00 3.14 -0.73 -1.79 -3.45 115.58 110.43 1ujo h ASN 42 Ca 0.00 0.29 0.00 0.00 1.87 0.00 0.00 56.30 58.46 1ujo h ASN 42 Cb 0.77 0.75 0.00 0.00 0.27 0.00 0.00 38.32 40.11 1ujo h ASN 42 CO 0.00 -0.29 0.00 0.61 -0.37 0.00 0.00 177.43 177.38 1ujo n GLY 43 N -1.41 1.90 0.30 1.57 0.00 -1.26 -4.35 105.19 101.93 1ujo n GLY 43 Ca 0.06 -0.25 0.06 0.00 0.00 0.00 0.00 46.02 45.89 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 0.20 -0.65 1.61 2.07 -1.88 1.64 116.25 119.24 1ujo h VAL 44 Ca 0.00 -0.02 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 1ujo h VAL 44 Cb 0.00 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 29.90 1ujo h VAL 44 CO 0.00 0.01 0.26 0.40 0.02 0.00 0.00 177.57 178.26 1ujo h ILE 45 N 0.04 1.24 0.16 4.57 2.04 -1.92 0.13 117.51 123.78 1ujo h ILE 45 Ca 0.45 -0.75 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 1ujo h ILE 45 Cb 0.78 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1ujo h ILE 45 CO -0.80 0.29 -0.08 -0.07 0.00 0.00 0.00 178.15 177.50 1ujo h LEU 46 N 0.92 -0.19 -1.68 1.44 3.38 0.68 0.07 115.31 119.93 1ujo h LEU 46 Ca 0.22 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.15 1ujo h LEU 46 Cb 0.21 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1ujo h LEU 46 CO -0.02 -0.03 0.30 0.28 0.09 0.00 0.00 178.44 179.07 1ujo h SER 47 N -0.34 0.35 -0.37 -0.43 0.02 0.21 0.04 113.55 113.04 1ujo h SER 47 Ca -0.02 -0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.80 1ujo h SER 47 Cb 0.26 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 1ujo h SER 47 CO 0.04 0.23 -0.25 0.11 -1.14 0.00 0.00 176.83 175.82 1ujo h LYS 48 N 0.40 0.88 0.00 3.45 1.57 -0.16 -2.05 116.57 120.66 1ujo h LYS 48 Ca 0.19 -0.38 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1ujo h LYS 48 Cb 0.25 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1ujo h LYS 48 CO -0.05 1.02 0.00 -0.11 -0.57 0.00 0.00 179.45 179.75 1ujo n LEU 49 N -4.10 0.00 -0.33 2.94 7.94 -0.04 0.81 117.00 124.22 1ujo n LEU 49 Ca -0.00 0.96 0.07 0.00 -1.11 0.00 0.00 56.01 55.92 1ujo n LEU 49 Cb 0.46 -0.46 0.16 0.00 0.53 0.00 0.00 43.42 44.11 1ujo n LEU 49 CO 0.46 -0.46 0.70 1.62 -1.11 0.00 0.00 177.39 178.60 1ujo h VAL 50 N 0.00 0.06 -0.02 1.96 3.04 -1.49 0.76 116.25 120.57 1ujo h VAL 50 Ca 0.00 -0.00 0.02 0.00 -1.01 0.00 0.00 66.70 65.71 1ujo h VAL 50 Cb 0.00 0.06 -0.03 0.00 -2.01 0.00 0.00 31.29 29.31 1ujo h VAL 50 CO 0.00 0.00 -0.14 0.78 -1.01 0.00 0.00 177.57 177.20 1ujo h ASN 51 N 0.01 -0.40 -1.10 3.17 2.35 -1.19 -0.71 115.58 117.70 1ujo h ASN 51 Ca 0.48 0.06 0.42 0.00 -0.55 0.00 0.00 56.30 56.71 1ujo h ASN 51 Cb 0.78 0.17 -0.17 0.00 0.05 0.00 0.00 38.32 39.16 1ujo h ASN 51 CO -0.95 -0.19 0.64 0.77 -1.65 0.00 0.00 177.43 176.05 1ujo h SER 52 N -0.22 0.31 0.00 5.81 4.64 0.69 -1.80 113.55 122.97 1ujo h SER 52 Ca 0.05 0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1ujo h SER 52 Cb 0.29 0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1ujo h SER 52 CO -0.15 -0.36 0.00 0.18 -0.87 0.00 0.00 176.83 175.64 1ujo n LEU 53 N -5.09 0.66 -3.20 5.97 4.77 -0.39 -4.88 117.00 114.84 1ujo n LEU 53 Ca 0.38 0.48 -0.29 0.00 -0.03 0.00 0.00 56.01 56.54 1ujo n LEU 53 Cb 1.33 -0.36 0.01 0.00 -2.33 0.00 0.00 43.42 42.07 1ujo n LEU 53 CO 0.07 -0.36 -0.52 -1.22 -1.33 0.00 0.00 177.39 174.03 1ujo n TYR 54 N -1.57 -2.31 -1.48 -1.77 4.01 -0.53 -4.81 117.16 108.69 1ujo n TYR 54 Ca 0.00 0.32 -0.29 0.00 -0.16 0.00 0.00 57.90 57.77 1ujo n TYR 54 Cb 0.00 -1.26 0.22 0.00 -0.31 0.00 0.00 39.34 37.99 1ujo n TYR 54 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1ujo n PRO 55 N 1.19 -2.17 0.08 -0.72 -0.04 -1.26 -4.86 135.00 127.23 1ujo n PRO 55 Ca 0.05 -1.87 -0.09 0.00 -0.04 0.00 0.00 63.50 61.56 1ujo n PRO 55 Cb 0.36 -1.47 -0.05 0.00 -0.04 0.00 0.00 33.50 32.30 1ujo n PRO 55 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1ujo h GLU 56 N 0.00 0.13 -1.48 0.54 4.39 -1.93 -3.10 114.58 113.13 1ujo h GLU 56 Ca -0.41 -0.17 -0.27 0.00 0.34 0.00 0.00 59.36 58.85 1ujo h GLU 56 Cb 1.20 0.06 -0.12 0.00 -0.10 0.00 0.00 28.75 29.78 1ujo h GLU 56 CO 0.28 0.98 0.34 0.41 -1.16 0.00 0.00 179.01 179.87 1ujo n GLY 57 N 1.06 3.73 1.56 -3.84 0.00 -1.26 -4.28 105.19 102.16 1ujo n GLY 57 Ca -0.03 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.13 1ujo n GLY 57 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ujo n SER 58 N 0.37 0.00 -3.14 1.61 7.64 -1.22 -5.11 113.62 113.78 1ujo n SER 58 Ca 0.26 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 60.14 1ujo n SER 58 Cb 0.65 0.11 -0.00 0.00 -1.01 0.00 0.00 64.21 63.95 1ujo n SER 58 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1ujo n LYS 59 N -2.17 -0.64 -0.02 1.43 4.01 -1.17 -4.91 118.16 114.69 1ujo n LYS 59 Ca 0.00 1.00 -0.12 0.00 -0.51 0.00 0.00 58.31 58.67 1ujo n LYS 59 Cb 0.00 -1.42 -0.10 0.00 -0.51 0.00 0.00 35.03 33.00 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 3.60 -0.05 -6.96 1.97 0.13 -1.96 -3.46 132.00 125.27 1ujo h PRO 60 Ca -0.00 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.68 1ujo h PRO 60 Cb 0.86 0.01 0.05 0.00 0.13 0.00 0.00 31.00 32.06 1ujo h PRO 60 CO 0.01 0.61 0.05 0.08 -0.23 0.00 0.00 178.00 178.51 1ujo s VAL 61 N -3.13 2.90 -0.25 1.56 1.01 -1.26 -5.09 120.40 116.15 1ujo s VAL 61 Ca -0.16 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.37 1ujo s VAL 61 Cb -0.01 -3.13 0.07 0.00 0.00 0.00 0.00 36.38 33.31 1ujo s VAL 61 CO 0.60 -0.11 -0.00 -0.54 0.00 0.00 0.00 175.10 175.05 1ujo s LYS 62 N -4.88 1.28 -0.30 2.72 1.02 -1.26 -5.05 119.74 113.28 1ujo s LYS 62 Ca 0.56 -0.96 -0.14 0.00 0.02 0.00 0.00 55.97 55.45 1ujo s LYS 62 Cb -0.10 -2.45 -0.03 0.00 -0.52 0.00 0.00 37.83 34.72 1ujo s LYS 62 CO 0.41 -0.69 0.32 0.08 -0.92 0.00 0.00 175.35 174.54 1ujo s VAL 63 N 1.48 5.21 1.07 3.17 1.01 -1.26 -5.07 120.40 126.00 1ujo s VAL 63 Ca -0.01 0.29 -0.17 0.00 0.00 0.00 0.00 61.98 62.09 1ujo s VAL 63 Cb -0.18 -3.69 0.23 0.00 0.00 0.00 0.00 36.38 32.74 1ujo s VAL 63 CO -0.10 0.10 1.21 -2.16 0.00 0.00 0.00 175.10 174.16 1ujo s PRO 64 N 1.97 -0.16 0.01 2.72 0.04 -1.26 -5.00 135.00 133.32 1ujo s PRO 64 Ca 0.12 -0.21 -0.26 0.00 0.04 0.00 0.00 61.00 60.69 1ujo s PRO 64 Cb -0.16 -1.73 -0.15 0.00 0.04 0.00 0.00 34.50 32.49 1ujo s PRO 64 CO 0.11 -2.98 1.15 1.49 0.04 0.00 0.00 177.00 176.81 1ujo h GLU 65 N -2.05 -0.79 -5.85 4.56 4.81 -2.07 -3.44 114.58 109.75 1ujo h GLU 65 Ca -0.45 0.05 -0.65 0.00 -0.13 0.00 0.00 59.36 58.18 1ujo h GLU 65 Cb 1.27 0.18 -0.07 0.00 0.63 0.00 0.00 28.75 30.76 1ujo h GLU 65 CO 0.38 -0.48 -0.52 0.54 -0.73 0.00 0.00 179.01 178.20 1ujo s ASN 66 N -4.61 6.12 0.39 1.04 4.22 -1.26 -5.09 114.94 115.74 1ujo s ASN 66 Ca -0.14 0.29 -0.25 0.00 -2.14 0.00 0.00 52.86 50.62 1ujo s ASN 66 Cb 0.02 -1.88 -0.09 0.00 1.28 0.00 0.00 41.25 40.58 1ujo s ASN 66 CO 0.46 0.29 1.06 -2.16 -2.04 0.00 0.00 177.10 174.70 1ujo s PRO 67 N -1.73 4.21 0.46 3.55 0.04 -1.26 -5.05 135.00 135.22 1ujo s PRO 67 Ca 0.24 1.56 -0.08 0.00 0.04 0.00 0.00 61.00 62.76 1ujo s PRO 67 Cb -0.12 -2.62 0.11 0.00 0.04 0.00 0.00 34.50 31.91 1ujo s PRO 67 CO 0.15 -0.11 0.51 -0.35 0.04 0.00 0.00 177.00 177.24 1ujo n PRO 68 N 0.08 -1.21 0.00 0.56 -0.04 -1.26 -5.04 135.00 128.09 1ujo n PRO 68 Ca 0.04 -0.79 0.00 0.00 -0.04 0.00 0.00 63.50 62.71 1ujo n PRO 68 Cb 0.49 -0.63 0.00 0.00 -0.04 0.00 0.00 33.50 33.32 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 -3.57 0.00 -4.13 3.54 2.88 -1.26 -4.96 113.62 106.12 1ujo n SER 69 Ca 0.07 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.25 1ujo n SER 69 Cb 0.24 0.02 0.06 0.00 -0.75 0.00 0.00 64.21 63.78 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 -2.19 -0.05 0.09 -1.46 2.81 -1.26 -4.68 117.12 110.38 1ujo n MET 70 Ca 0.00 -0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 55.85 1ujo n MET 70 Cb 0.00 -1.23 -0.02 0.00 -0.71 0.00 0.00 33.22 31.26 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 -1.02 0.00 -1.00 2.03 2.07 -1.99 -1.71 116.25 114.63 1ujo h VAL 71 Ca -0.44 -0.31 0.36 0.00 0.82 0.00 0.00 66.70 67.13 1ujo h VAL 71 Cb 1.31 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.90 1ujo h VAL 71 CO 0.28 0.00 0.31 -0.26 0.02 0.00 0.00 177.57 177.92 1ujo h PHE 72 N -0.57 0.43 0.22 1.57 0.04 -1.98 0.82 116.94 117.47 1ujo h PHE 72 Ca -0.03 0.05 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 1ujo h PHE 72 Cb 0.20 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.33 1ujo h PHE 72 CO 0.04 -0.47 -0.10 0.87 -0.60 0.00 0.00 178.31 178.05 1ujo h LYS 73 N 0.00 -0.28 -0.74 1.51 1.79 -1.92 -0.10 116.57 116.83 1ujo h LYS 73 Ca 0.74 0.02 0.14 0.00 -2.18 0.00 0.00 60.65 59.37 1ujo h LYS 73 Cb 1.81 0.06 -0.14 0.00 -1.58 0.00 0.00 32.23 32.38 1ujo h LYS 73 CO -0.85 -0.19 -0.25 1.96 -1.08 0.00 0.00 179.45 179.05 1ujo h GLN 74 N -0.37 -0.04 -0.44 3.15 1.08 -0.07 0.88 115.11 119.30 1ujo h GLN 74 Ca -0.03 0.00 0.07 0.00 -1.45 0.00 0.00 58.65 57.25 1ujo h GLN 74 Cb 0.22 0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.60 1ujo h GLN 74 CO 0.05 -0.03 0.08 0.52 -0.95 0.00 0.00 178.83 178.49 1ujo h MET 75 N -0.05 0.20 -0.05 1.46 2.86 0.54 -2.26 114.93 117.63 1ujo h MET 75 Ca 0.33 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.95 1ujo h MET 75 Cb 0.56 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.18 1ujo h MET 75 CO -0.78 0.13 0.01 0.93 1.06 0.00 0.00 176.91 178.27 1ujo h GLU 76 N 0.20 0.07 -0.97 1.72 5.08 0.14 -2.20 114.58 118.63 1ujo h GLU 76 Ca 0.22 -0.02 0.32 0.00 -1.00 0.00 0.00 59.36 58.88 1ujo h GLU 76 Cb 0.28 -0.01 -0.17 0.00 0.50 0.00 0.00 28.75 29.35 1ujo h GLU 76 CO -0.29 0.26 0.29 0.37 -1.00 0.00 0.00 179.01 178.64 1ujo h GLN 77 N -0.13 0.08 0.23 2.33 5.75 0.11 0.42 115.11 123.90 1ujo h GLN 77 Ca 0.01 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 1ujo h GLN 77 Cb 0.22 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.75 1ujo h GLN 77 CO -0.00 0.05 -0.11 0.28 -2.65 0.00 0.00 178.83 176.40 1ujo h VAL 78 N 0.08 0.81 -0.92 2.39 2.07 -1.18 -3.09 116.25 116.41 1ujo h VAL 78 Ca 0.69 -0.81 0.25 0.00 0.82 0.00 0.00 66.70 67.65 1ujo h VAL 78 Cb 1.59 1.24 -0.16 0.00 -1.52 0.00 0.00 31.29 32.44 1ujo h VAL 78 CO -0.79 0.16 0.13 0.00 0.02 0.00 0.00 177.57 177.10 1ujo h ALA 79 N -0.15 1.22 -0.90 1.67 0.00 0.31 1.54 119.26 122.95 1ujo h ALA 79 Ca -0.03 0.28 0.15 0.00 0.00 0.00 0.00 54.91 55.31 1ujo h ALA 79 Cb 0.50 0.46 -0.09 0.00 0.00 0.00 0.00 17.79 18.65 1ujo h ALA 79 CO 0.05 -0.54 0.51 1.96 0.00 0.00 0.00 179.25 181.23 1ujo h GLN 80 N 0.09 0.71 0.04 0.00 4.20 -0.62 0.20 115.11 119.72 1ujo h GLN 80 Ca 0.57 -0.04 -0.16 0.00 0.06 0.00 0.00 58.65 59.08 1ujo h GLN 80 Cb 1.18 -0.16 0.01 0.00 0.30 0.00 0.00 27.48 28.82 1ujo h GLN 80 CO -0.78 0.47 -0.64 0.35 -0.67 0.00 0.00 178.83 177.55 1ujo h PHE 81 N 0.73 0.58 0.06 2.96 3.57 0.19 -2.33 116.94 122.69 1ujo h PHE 81 Ca 0.49 -0.34 0.02 0.00 3.53 0.00 0.00 57.97 61.67 1ujo h PHE 81 Cb 0.65 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.29 1ujo h PHE 81 CO -0.06 1.18 -0.42 -0.07 -2.23 0.00 0.00 178.31 176.71 1ujo h LEU 82 N -0.19 -1.27 -0.92 0.59 3.38 0.81 1.42 115.31 119.13 1ujo h LEU 82 Ca -0.09 0.15 0.05 0.00 0.09 0.00 0.00 57.88 58.08 1ujo h LEU 82 Cb 1.39 0.49 -0.06 0.00 0.09 0.00 0.00 40.66 42.56 1ujo h LEU 82 CO 0.12 -0.48 0.58 0.50 0.09 0.00 0.00 178.44 179.26 1ujo h LYS 83 N -0.62 1.05 -0.82 1.13 3.64 -0.76 -0.53 116.57 119.67 1ujo h LYS 83 Ca 0.03 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 1ujo h LYS 83 Cb 0.67 -0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 32.21 1ujo h LYS 83 CO -0.28 0.69 0.43 0.00 -2.27 0.00 0.00 179.45 178.02 1ujo h ALA 84 N 1.41 1.05 0.23 5.00 0.00 -0.56 -2.73 119.26 123.67 1ujo h ALA 84 Ca 0.39 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.17 1ujo h ALA 84 Cb 0.12 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1ujo h ALA 84 CO -0.16 0.58 -0.38 0.00 0.00 0.00 0.00 179.25 179.30 1ujo h ALA 85 N 1.23 -0.73 -0.76 0.00 0.00 0.35 -2.16 119.26 117.18 1ujo h ALA 85 Ca 0.29 -0.09 0.14 0.00 0.00 0.00 0.00 54.91 55.24 1ujo h ALA 85 Cb 0.07 0.59 -0.14 0.00 0.00 0.00 0.00 17.79 18.31 1ujo h ALA 85 CO -0.04 -0.96 -0.28 1.49 0.00 0.00 0.00 179.25 179.45 1ujo h GLU 86 N -0.68 -0.06 -0.68 0.00 4.81 -1.11 0.22 114.58 117.07 1ujo h GLU 86 Ca 0.00 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.35 1ujo h GLU 86 Cb 0.66 0.01 -0.12 0.00 0.63 0.00 0.00 28.75 29.93 1ujo h GLU 86 CO -0.15 -0.04 -0.36 0.22 -0.73 0.00 0.00 179.01 177.95 1ujo h ASP 87 N -0.06 -1.27 -1.00 1.04 1.82 -1.11 0.64 116.42 116.48 1ujo h ASP 87 Ca 0.32 0.25 0.41 0.00 -0.39 0.00 0.00 57.03 57.62 1ujo h ASP 87 Cb 0.57 0.63 -0.18 0.00 0.68 0.00 0.00 39.33 41.04 1ujo h ASP 87 CO -0.80 -0.30 0.54 0.22 -1.61 0.00 0.00 179.24 177.28 1ujo h TYR 88 N -0.13 0.83 0.00 0.28 3.20 -0.19 -3.42 116.97 117.53 1ujo h TYR 88 Ca 0.25 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.16 1ujo h TYR 88 Cb 0.56 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.64 1ujo h TYR 88 CO -0.70 -0.46 0.00 0.41 -1.64 0.00 0.00 178.16 175.77 1ujo n GLY 89 N -1.26 0.54 3.30 1.82 0.00 0.22 -5.07 105.19 104.73 1ujo n GLY 89 Ca 0.37 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.01 1ujo n GLY 89 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ujo n VAL 90 N 0.00 0.75 -2.70 1.61 0.31 -1.03 -4.98 118.33 112.29 1ujo n VAL 90 Ca 0.00 -0.49 -0.00 0.00 -0.01 0.00 0.00 64.34 63.84 1ujo n VAL 90 Cb 0.00 -0.25 0.00 0.00 -0.91 0.00 0.00 33.84 32.68 1ujo n VAL 90 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 1ujo n ILE 91 N -1.76 0.00 0.62 2.52 -5.35 -1.26 -4.59 119.36 109.54 1ujo n ILE 91 Ca 0.08 -0.04 0.10 0.00 -0.27 0.00 0.00 62.75 62.62 1ujo n ILE 91 Cb 0.48 -1.14 0.13 0.00 -1.74 0.00 0.00 39.64 37.37 1ujo n ILE 91 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1ujo n LYS 92 N -1.04 2.06 0.00 6.28 4.01 -1.26 -3.75 118.16 124.47 1ujo n LYS 92 Ca 0.00 -1.90 0.10 0.00 -0.51 0.00 0.00 58.31 56.00 1ujo n LYS 92 Cb 0.01 -1.42 -0.04 0.00 -0.51 0.00 0.00 35.03 33.07 1ujo n LYS 92 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1ujo n THR 93 N 1.21 0.00 0.20 -0.18 -1.04 -1.26 -4.16 114.28 109.06 1ujo n THR 93 Ca 0.14 -0.20 0.02 0.00 -2.04 0.00 0.00 64.05 61.97 1ujo n THR 93 Cb 0.53 1.16 -0.02 0.00 -1.82 0.00 0.00 70.33 70.18 1ujo n THR 93 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1ujo n ASP 94 N -0.53 0.45 -4.81 8.00 5.68 -1.26 -5.00 116.55 119.08 1ujo n ASP 94 Ca 0.07 -0.73 -0.39 0.00 -0.50 0.00 0.00 54.79 53.25 1ujo n ASP 94 Cb 0.39 0.80 -0.06 0.00 -1.14 0.00 0.00 41.12 41.10 1ujo n ASP 94 CO 0.00 0.00 0.00 -0.04 -1.33 0.00 0.00 177.20 175.83 1ujo s MET 95 N -1.20 4.25 0.35 0.11 -1.94 -1.25 -0.30 119.30 119.32 1ujo s MET 95 Ca 0.02 0.80 0.04 0.00 -1.71 0.00 0.00 55.69 54.84 1ujo s MET 95 Cb 0.03 -3.23 0.04 0.00 2.01 0.00 0.00 34.83 33.68 1ujo s MET 95 CO 0.15 0.62 0.33 1.97 -0.01 0.00 0.00 175.02 178.09 1ujo n PHE 96 N 1.66 -1.38 -3.92 -0.03 1.16 -1.26 -4.97 117.46 108.72 1ujo n PHE 96 Ca -0.09 -1.43 -0.36 0.00 -1.87 0.00 0.00 57.45 53.69 1ujo n PHE 96 Cb 0.50 -0.30 -0.07 0.00 -1.61 0.00 0.00 39.48 38.00 1ujo n PHE 96 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 1ujo s GLN 97 N -3.49 3.56 0.32 3.97 -1.52 -1.26 -4.97 119.66 116.27 1ujo s GLN 97 Ca 0.25 -0.19 0.16 0.00 -1.95 0.00 0.00 55.36 53.62 1ujo s GLN 97 Cb -0.02 -3.19 1.11 0.00 -0.22 0.00 0.00 33.01 30.69 1ujo s GLN 97 CO 0.16 0.65 1.41 2.41 -0.25 0.00 0.00 175.29 179.67 1ujo n THR 98 N 2.38 -0.37 0.10 -0.19 -1.04 -1.26 0.18 114.28 114.07 1ujo n THR 98 Ca -0.19 1.84 -0.13 0.00 -2.04 0.00 0.00 64.05 63.52 1ujo n THR 98 Cb 0.54 -2.93 -0.08 0.00 -1.82 0.00 0.00 70.33 66.04 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 0.92 -1.92 12.58 3.04 -1.95 1.41 116.25 130.33 1ujo h VAL 99 Ca 0.72 -0.52 0.56 0.00 -1.01 0.00 0.00 66.70 66.45 1ujo h VAL 99 Cb 1.85 1.23 -0.08 0.00 -2.01 0.00 0.00 31.29 32.28 1ujo h VAL 99 CO -0.71 0.12 1.37 0.47 -1.01 0.00 0.00 177.57 177.81 1ujo n ASP 100 N -5.08 0.02 -0.08 3.17 8.00 0.47 0.14 116.55 123.19 1ujo n ASP 100 Ca -0.09 1.02 -0.08 0.00 0.71 0.00 0.00 54.79 56.35 1ujo n ASP 100 Cb 0.21 -0.51 -0.03 0.00 -0.02 0.00 0.00 41.12 40.77 1ujo n ASP 100 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1ujo n LEU 101 N -3.97 1.71 -0.18 0.64 7.94 -0.91 -1.57 117.00 120.66 1ujo n LEU 101 Ca 0.44 0.31 -0.09 0.00 -1.11 0.00 0.00 56.01 55.57 1ujo n LEU 101 Cb 1.97 -0.72 -0.04 0.00 0.53 0.00 0.00 43.42 45.16 1ujo n LEU 101 CO 0.42 -0.31 0.58 0.22 -1.11 0.00 0.00 177.39 177.19 1ujo h TYR 102 N -0.89 -1.24 -0.74 1.96 3.20 0.32 0.17 116.97 119.76 1ujo h TYR 102 Ca 0.00 0.08 -0.20 0.00 3.14 0.00 0.00 58.73 61.74 1ujo h TYR 102 Cb 0.85 0.62 -0.12 0.00 1.54 0.00 0.00 36.73 39.62 1ujo h TYR 102 CO -0.37 -0.43 0.25 0.39 -1.64 0.00 0.00 178.16 176.37 1ujo n GLU 103 N -5.41 3.87 -2.30 1.82 1.02 0.37 -4.90 120.64 115.12 1ujo n GLU 103 Ca 0.01 -3.11 0.00 0.00 -0.02 0.00 0.00 57.16 54.04 1ujo n GLU 103 Cb 0.35 -2.23 0.00 0.00 -0.02 0.00 0.00 31.44 29.53 1ujo n GLU 103 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ujo n GLY 104 N -0.08 -0.45 0.41 0.62 0.00 0.61 -4.67 105.19 101.63 1ujo n GLY 104 Ca 0.40 0.00 0.24 0.00 0.00 0.00 0.00 46.02 46.67 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 0.00 0.35 -2.01 1.61 1.57 -1.11 -3.36 116.57 113.61 1ujo h LYS 105 Ca 0.00 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.64 1ujo h LYS 105 Cb 0.89 -0.08 -0.29 0.00 0.08 0.00 0.00 32.23 32.84 1ujo h LYS 105 CO 0.00 0.23 -0.44 -0.51 -0.57 0.00 0.00 179.45 178.17 1ujo s ASP 106 N -5.13 -0.01 0.00 0.86 1.11 -0.66 -4.92 116.67 107.92 1ujo s ASP 106 Ca -0.09 0.49 0.06 0.00 0.18 0.00 0.00 52.55 53.19 1ujo s ASP 106 Cb 0.26 1.25 -0.24 0.00 1.07 0.00 0.00 42.92 45.26 1ujo s ASP 106 CO 0.80 -0.28 0.84 0.24 1.18 0.00 0.00 175.17 177.95 1ujo h MET 107 N 8.17 0.09 -0.44 8.23 2.86 -1.73 -3.17 114.93 128.94 1ujo h MET 107 Ca -0.19 -0.15 0.11 0.00 -2.06 0.00 0.00 59.70 57.42 1ujo h MET 107 Cb 1.14 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.84 1ujo h MET 107 CO 0.23 0.83 0.31 0.00 1.06 0.00 0.00 176.91 179.34 1ujo h ALA 108 N 0.80 2.31 0.00 6.32 0.00 -1.91 -1.66 119.26 125.11 1ujo h ALA 108 Ca -0.22 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1ujo h ALA 108 Cb 1.96 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.76 1ujo h ALA 108 CO 0.11 -0.43 -0.00 0.00 0.00 0.00 0.00 179.25 178.94 1ujo h ALA 109 N 1.78 -0.01 -2.00 0.00 0.00 -1.95 -2.94 119.26 114.15 1ujo h ALA 109 Ca 0.21 -0.43 0.58 0.00 0.00 0.00 0.00 54.91 55.27 1ujo h ALA 109 Cb 0.72 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.43 1ujo h ALA 109 CO -0.02 -0.02 1.44 0.28 0.00 0.00 0.00 179.25 180.93 1ujo h VAL 110 N -0.97 0.00 0.00 0.00 2.07 -1.29 0.87 116.25 116.94 1ujo h VAL 110 Ca -0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1ujo h VAL 110 Cb 0.85 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1ujo h VAL 110 CO 0.00 0.00 -0.08 1.56 0.02 0.00 0.00 177.57 179.07 1ujo h GLN 111 N 0.00 0.00 -1.28 1.57 4.20 -1.47 -3.19 115.11 114.93 1ujo h GLN 111 Ca 0.95 0.00 0.42 0.00 0.06 0.00 0.00 58.65 60.08 1ujo h GLN 111 Cb 3.81 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 31.46 1ujo h GLN 111 CO -0.01 0.60 0.82 -0.09 -0.67 0.00 0.00 178.83 179.48 1ujo h ARG 112 N -1.00 0.11 0.08 1.46 2.43 0.91 0.95 114.38 119.32 1ujo h ARG 112 Ca -0.02 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1ujo h ARG 112 Cb 0.63 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1ujo h ARG 112 CO -0.01 0.07 -0.04 1.15 -1.51 0.00 0.00 179.97 179.63 1ujo h THR 113 N 0.11 0.00 -0.66 0.20 2.02 0.66 -2.87 112.91 112.37 1ujo h THR 113 Ca 0.80 -0.04 0.13 0.00 0.77 0.00 0.00 66.41 68.08 1ujo h THR 113 Cb 2.45 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 68.76 1ujo h THR 113 CO -0.43 0.00 0.13 -0.07 0.37 0.00 0.00 175.52 175.53 1ujo h LEU 114 N -0.15 -0.02 -1.54 2.58 3.38 -1.16 0.34 115.31 118.74 1ujo h LEU 114 Ca -0.01 0.13 0.38 0.00 0.09 0.00 0.00 57.88 58.47 1ujo h LEU 114 Cb 0.09 0.18 -0.10 0.00 0.09 0.00 0.00 40.66 40.92 1ujo h LEU 114 CO 0.02 -0.02 0.84 0.24 0.09 0.00 0.00 178.44 179.61 1ujo h MET 115 N 0.25 0.16 0.02 1.13 2.86 0.83 0.15 114.93 120.33 1ujo h MET 115 Ca 0.36 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.99 1ujo h MET 115 Cb 0.57 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.19 1ujo h MET 115 CO -0.46 0.10 -0.01 0.00 1.06 0.00 0.00 176.91 177.60 1ujo h ALA 116 N 1.52 -0.03 -0.68 6.32 0.00 -0.12 -3.02 119.26 123.25 1ujo h ALA 116 Ca 0.71 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1ujo h ALA 116 Cb 2.28 0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.08 1ujo h ALA 116 CO -0.28 -0.04 0.00 -0.11 0.00 0.00 0.00 179.25 178.82 1ujo n LEU 117 N -4.71 0.00 -0.21 0.00 7.94 0.34 0.15 117.00 120.51 1ujo n LEU 117 Ca -0.07 0.89 -0.06 0.00 -1.11 0.00 0.00 56.01 55.66 1ujo n LEU 117 Cb 0.30 -0.39 -0.05 0.00 0.53 0.00 0.00 43.42 43.81 1ujo n LEU 117 CO 0.22 -0.39 0.49 1.23 -1.11 0.00 0.00 177.39 177.84 1ujo h GLY 118 N 0.00 -1.69 -0.39 -3.96 0.00 -1.19 0.37 103.07 96.20 1ujo h GLY 118 Ca 0.00 0.95 0.17 0.00 0.00 0.00 0.00 47.33 48.45 1ujo h GLY 118 CO 0.00 -0.45 -0.05 0.23 0.00 0.00 0.00 176.54 176.27 1ujo h SER 119 N -0.03 -0.44 -0.77 0.19 0.87 -1.34 1.22 113.55 113.25 1ujo h SER 119 Ca 0.08 0.20 0.10 0.00 -1.23 0.00 0.00 61.79 60.95 1ujo h SER 119 Cb 0.23 0.38 -0.08 0.00 -0.44 0.00 0.00 62.40 62.49 1ujo h SER 119 CO -0.48 -0.20 0.41 -0.07 -0.53 0.00 0.00 176.83 175.95 1ujo h LEU 120 N 0.07 0.54 -0.47 2.23 3.38 0.50 0.49 115.31 122.05 1ujo h LEU 120 Ca 0.40 0.06 -0.16 0.00 0.09 0.00 0.00 57.88 58.27 1ujo h LEU 120 Cb 0.68 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1ujo h LEU 120 CO -0.69 0.29 -0.50 0.00 0.09 0.00 0.00 178.44 177.63 1ujo h ALA 121 N 1.46 0.65 -0.29 1.53 0.00 0.39 -2.06 119.26 120.95 1ujo h ALA 121 Ca 0.39 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1ujo h ALA 121 Cb 0.42 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1ujo h ALA 121 CO -0.28 0.68 0.04 0.28 0.00 0.00 0.00 179.25 179.97 1ujo h VAL 122 N 0.54 1.15 -0.11 0.00 2.07 0.32 0.47 116.25 120.70 1ujo h VAL 122 Ca 0.02 -0.56 -0.06 0.00 0.82 0.00 0.00 66.70 66.93 1ujo h VAL 122 Cb 1.06 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1ujo h VAL 122 CO 0.10 0.20 -0.15 0.74 0.02 0.00 0.00 177.57 178.48 1ujo h THR 123 N 0.41 1.38 0.00 2.57 2.02 0.17 -3.38 112.91 116.08 1ujo h THR 123 Ca 0.10 -1.37 0.00 0.00 0.77 0.00 0.00 66.41 65.90 1ujo h THR 123 Cb 0.21 2.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.65 1ujo h THR 123 CO 0.00 0.39 0.00 0.29 0.37 0.00 0.00 175.52 176.57 1ujo n LYS 124 N -4.58 0.00 -2.76 6.66 5.02 -0.80 -5.03 118.16 116.67 1ujo n LYS 124 Ca -0.07 0.14 -0.04 0.00 -2.02 0.00 0.00 58.31 56.32 1ujo n LYS 124 Cb 0.37 -0.80 -0.03 0.00 -0.02 0.00 0.00 35.03 34.55 1ujo n LYS 124 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1ujo n ASN 125 N -0.91 -3.26 -1.02 4.39 4.13 0.16 -4.99 115.26 113.76 1ujo n ASN 125 Ca 0.00 1.23 -0.03 0.00 1.68 0.00 0.00 54.58 57.46 1ujo n ASN 125 Cb 0.00 -4.22 -0.03 0.00 -1.54 0.00 0.00 39.78 33.99 1ujo n ASN 125 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1ujo n ASP 126 N 1.78 -0.28 0.00 6.41 2.03 -1.26 -5.00 116.55 120.23 1ujo n ASP 126 Ca -0.26 -1.85 0.00 0.00 0.52 0.00 0.00 54.79 53.20 1ujo n ASP 126 Cb 0.42 0.07 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 1ujo n ASP 126 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ujo n GLY 127 N 0.13 0.78 1.67 0.27 0.00 -1.26 -5.06 105.19 101.72 1ujo n GLY 127 Ca -0.13 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 0.00 -4.65 1.61 3.02 -1.26 -5.03 115.26 108.95 1ujo n ASN 128 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.12 1ujo n ASN 128 Cb 0.00 0.16 -0.02 0.00 -0.61 0.00 0.00 39.78 39.31 1ujo n ASN 128 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1ujo s TYR 129 N -1.83 2.89 -0.58 3.10 6.14 -1.26 -4.61 117.35 121.20 1ujo s TYR 129 Ca 0.00 1.05 -0.02 0.00 0.64 0.00 0.00 57.07 58.74 1ujo s TYR 129 Cb 0.00 -3.54 0.39 0.00 0.42 0.00 0.00 41.96 39.23 1ujo s TYR 129 CO 0.00 -1.52 2.03 0.54 0.64 0.00 0.00 175.55 177.24 1ujo n ARG 130 N 6.69 2.45 0.00 4.97 5.12 -1.26 -4.78 116.66 129.84 1ujo n ARG 130 Ca 0.14 -2.83 0.00 0.00 -1.93 0.00 0.00 57.85 53.23 1ujo n ARG 130 Cb 0.45 -2.11 0.00 0.00 -1.16 0.00 0.00 32.46 29.65 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 -0.58 3.24 3.16 -0.13 0.00 -1.26 -4.64 105.19 104.98 1ujo n GLY 131 Ca 0.54 -0.32 -0.12 0.00 0.00 0.00 0.00 46.02 46.11 1ujo n GLY 131 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ujo s ASP 132 N 1.21 -0.16 0.44 1.61 1.01 -1.26 -5.03 116.67 114.49 1ujo s ASP 132 Ca 0.00 0.18 0.24 0.00 0.71 0.00 0.00 52.55 53.68 1ujo s ASP 132 Cb 0.00 0.37 0.72 0.00 1.01 0.00 0.00 42.92 45.01 1ujo s ASP 132 CO 0.00 -0.28 1.74 1.55 0.21 0.00 0.00 175.17 178.39 1ujo h PRO 133 N 4.74 0.00 -1.80 8.23 0.13 -1.96 -3.21 132.00 138.13 1ujo h PRO 133 Ca -0.28 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.48 1ujo h PRO 133 Cb 1.19 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.18 1ujo h PRO 133 CO 0.38 0.16 0.30 0.09 -0.23 0.00 0.00 178.00 178.70 1ujo n ASN 134 N -3.21 6.29 -0.05 1.44 3.02 -1.26 -3.85 115.26 117.64 1ujo n ASN 134 Ca 0.02 -3.03 -0.10 0.00 -0.03 0.00 0.00 54.58 51.43 1ujo n ASN 134 Cb 0.48 -1.17 -0.03 0.00 -0.61 0.00 0.00 39.78 38.44 1ujo n ASN 134 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1ujo n TRP 135 N 0.85 0.00 -0.08 3.10 8.01 -1.21 -4.81 117.44 123.29 1ujo n TRP 135 Ca 0.38 0.00 -0.19 0.00 -1.31 0.00 0.00 57.50 56.38 1ujo n TRP 135 Cb 0.60 -0.39 -0.12 0.00 -2.01 0.00 0.00 31.31 29.39 1ujo n TRP 135 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.69 177.42 1ujo h PHE 136 N -0.48 0.07 -1.57 -5.99 -1.00 -1.83 -3.47 116.94 102.66 1ujo h PHE 136 Ca -0.21 -0.05 -0.66 0.00 2.81 0.00 0.00 57.97 59.87 1ujo h PHE 136 Cb 0.98 -0.00 0.10 0.00 3.61 0.00 0.00 35.95 40.64 1ujo h PHE 136 CO -0.11 1.33 -0.18 -1.33 -1.61 0.00 0.00 178.31 176.41 1ujo n MET 137 N -4.42 0.56 0.07 1.51 2.81 -1.25 -4.77 117.12 111.63 1ujo n MET 137 Ca -0.23 0.20 0.00 0.00 -1.81 0.00 0.00 57.70 55.86 1ujo n MET 137 Cb 0.64 -1.41 0.00 0.00 -0.71 0.00 0.00 33.22 31.74 1ujo n MET 137 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1ujo n LYS 138 N 1.05 0.00 -3.24 0.03 5.02 -1.26 -4.93 118.16 114.82 1ujo n LYS 138 Ca 0.15 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.48 1ujo n LYS 138 Cb 0.26 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.25 1ujo n LYS 138 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1ujo s SER 139 N -1.31 -0.83 0.00 4.39 0.15 -1.26 -5.16 113.70 109.67 1ujo s SER 139 Ca 0.00 0.68 0.00 0.00 0.70 0.00 0.00 55.95 57.33 1ujo s SER 139 Cb 0.00 1.76 0.00 0.00 -1.71 0.00 0.00 66.02 66.07 1ujo s SER 139 CO 0.00 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.89 1ujo n GLY 140 N 5.35 0.83 3.80 9.45 0.00 -1.26 -5.16 105.19 118.21 1ujo n GLY 140 Ca -0.06 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 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 1.06 3.54 -0.21 1.61 0.04 -1.26 -5.05 135.00 134.73 1ujo s PRO 141 Ca 0.00 1.23 0.01 0.00 0.04 0.00 0.00 61.00 62.28 1ujo s PRO 141 Cb 0.00 -2.06 0.03 0.00 0.04 0.00 0.00 34.50 32.51 1ujo s PRO 141 CO 0.00 -0.63 -0.15 0.45 0.04 0.00 0.00 177.00 176.70 1ujo s SER 142 N -2.55 3.67 0.58 6.66 0.15 -1.26 -5.03 113.70 115.92 1ujo s SER 142 Ca 0.64 -0.88 0.00 0.00 0.70 0.00 0.00 55.95 56.42 1ujo s SER 142 Cb -0.16 -1.53 0.00 0.00 -1.71 0.00 0.00 66.02 62.63 1ujo s SER 142 CO 0.31 -0.07 0.00 -0.24 1.20 0.00 0.00 173.24 174.44 1ujo n SER 143 N 4.58 -7.22 0.00 5.45 2.88 -1.26 -5.28 113.62 112.76 1ujo n SER 143 Ca -0.18 1.34 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 1ujo n SER 143 Cb 0.47 -4.74 0.00 0.00 -0.75 0.00 0.00 64.21 59.20 1ujo n SER 143 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42