#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujo s SER 2 N 0.00 1.91 0.20 1.61 0.01 -1.26 -5.14 113.70 111.03 1ujo s SER 2 Ca 0.00 -0.39 -0.23 0.00 1.31 0.00 0.00 55.95 56.64 1ujo s SER 2 Cb 0.00 -0.17 0.05 0.00 0.21 0.00 0.00 66.02 66.10 1ujo s SER 2 CO 0.00 0.13 0.82 -0.44 0.41 0.00 0.00 173.24 174.16 1ujo s SER 3 N -0.78 -0.26 0.00 2.44 0.01 -1.26 -5.16 113.70 108.69 1ujo s SER 3 Ca 0.05 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 56.87 1ujo s SER 3 Cb -0.07 0.60 0.00 0.00 0.21 0.00 0.00 66.02 66.76 1ujo s SER 3 CO 0.00 -1.09 0.00 0.61 0.41 0.00 0.00 173.24 173.17 1ujo n GLY 4 N -0.44 2.44 3.12 3.44 0.00 -1.26 -5.07 105.19 107.42 1ujo n GLY 4 Ca -0.06 -1.44 0.02 0.00 0.00 0.00 0.00 46.02 44.54 1ujo n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ujo s SER 5 N 0.00 -1.31 -0.14 1.61 1.04 -1.26 -5.12 113.70 108.52 1ujo s SER 5 Ca 0.00 0.32 -0.30 0.00 0.48 0.00 0.00 55.95 56.45 1ujo s SER 5 Cb 0.00 1.95 0.12 0.00 0.10 0.00 0.00 66.02 68.19 1ujo s SER 5 CO 0.00 -0.29 0.96 -0.55 0.98 0.00 0.00 173.24 174.33 1ujo s SER 6 N 2.80 -0.40 0.00 7.02 0.15 -1.26 -5.17 113.70 116.85 1ujo s SER 6 Ca 0.13 0.40 0.00 0.00 0.70 0.00 0.00 55.95 57.18 1ujo s SER 6 Cb -0.12 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 1ujo s SER 6 CO -0.25 -0.39 0.00 0.61 1.20 0.00 0.00 173.24 174.41 1ujo n GLY 7 N 0.67 -0.25 3.85 9.45 0.00 -1.26 -4.74 105.19 112.90 1ujo n GLY 7 Ca -0.11 -1.52 -0.35 0.00 0.00 0.00 0.00 46.02 44.04 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 -2.00 3.94 0.24 1.61 2.02 -1.26 -4.90 118.70 118.35 1ujo s GLU 8 Ca 0.00 0.44 -0.13 0.00 0.02 0.00 0.00 54.97 55.30 1ujo s GLU 8 Cb 0.00 -2.95 0.32 0.00 0.10 0.00 0.00 34.13 31.59 1ujo s GLU 8 CO 0.00 0.50 1.58 0.93 0.02 0.00 0.00 175.26 178.29 1ujo h GLU 9 N 3.62 -0.02 0.00 1.61 5.08 -2.00 0.26 114.58 123.13 1ujo h GLU 9 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1ujo h GLU 9 Cb 1.19 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1ujo h GLU 9 CO 0.66 -0.02 0.00 -0.11 -1.00 0.00 0.00 179.01 178.54 1ujo n LEU 10 N -5.53 0.00 -0.10 1.33 0.00 -1.26 -0.13 117.00 111.32 1ujo n LEU 10 Ca 0.11 0.93 -0.06 0.00 0.00 0.00 0.00 56.01 57.00 1ujo n LEU 10 Cb 0.42 -0.43 0.01 0.00 0.00 0.00 0.00 43.42 43.41 1ujo n LEU 10 CO -0.07 -0.43 0.79 -0.08 0.00 0.00 0.00 177.39 177.60 1ujo h GLU 11 N 0.00 -0.02 -0.98 1.96 4.81 -1.68 -0.21 114.58 118.46 1ujo h GLU 11 Ca 0.00 0.00 0.17 0.00 -0.13 0.00 0.00 59.36 59.40 1ujo h GLU 11 Cb 0.00 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 29.22 1ujo h GLU 11 CO 0.00 -0.01 -0.34 0.39 -0.73 0.00 0.00 179.01 178.32 1ujo n GLU 12 N -5.29 -0.19 0.27 1.92 -0.58 0.82 0.13 120.64 117.72 1ujo n GLU 12 Ca 0.01 1.52 -0.13 0.00 -0.42 0.00 0.00 57.16 58.14 1ujo n GLU 12 Cb 0.21 -2.26 -0.07 0.00 -0.57 0.00 0.00 31.44 28.75 1ujo n GLU 12 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1ujo h ARG 13 N 0.00 -0.70 -0.93 3.49 9.65 0.40 0.95 114.38 127.24 1ujo h ARG 13 Ca 0.38 0.05 0.24 0.00 -1.10 0.00 0.00 59.98 59.55 1ujo h ARG 13 Cb 0.63 0.16 -0.17 0.00 -1.39 0.00 0.00 29.97 29.20 1ujo h ARG 13 CO -0.99 -0.40 0.03 -0.07 2.80 0.00 0.00 179.97 181.34 1ujo h LEU 14 N -1.09 -0.42 0.32 3.80 4.07 0.59 1.54 115.31 124.11 1ujo h LEU 14 Ca -0.07 0.25 -0.02 0.00 0.08 0.00 0.00 57.88 58.12 1ujo h LEU 14 Cb 0.62 0.44 0.00 0.00 1.08 0.00 0.00 40.66 42.80 1ujo h LEU 14 CO 0.12 -0.30 -0.15 0.58 -1.08 0.00 0.00 178.44 177.61 1ujo h VAL 15 N 0.05 0.00 -1.52 1.22 2.07 0.11 -1.01 116.25 117.17 1ujo h VAL 15 Ca 0.55 -0.58 0.45 0.00 0.82 0.00 0.00 66.70 67.94 1ujo h VAL 15 Cb 1.09 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.77 1ujo h VAL 15 CO -0.84 0.00 1.06 -0.33 0.02 0.00 0.00 177.57 177.48 1ujo h GLU 16 N -1.01 0.05 0.18 1.57 5.08 0.23 0.54 114.58 121.23 1ujo h GLU 16 Ca -0.04 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1ujo h GLU 16 Cb 0.32 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1ujo h GLU 16 CO 0.07 0.03 -0.09 2.35 -1.00 0.00 0.00 179.01 180.37 1ujo h TRP 17 N 0.05 -0.23 -0.41 4.33 7.01 0.21 -2.79 115.95 124.12 1ujo h TRP 17 Ca 0.78 -0.01 0.12 0.00 2.11 0.00 0.00 58.89 61.90 1ujo h TRP 17 Cb 2.89 0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 30.01 1ujo h TRP 17 CO -0.00 -0.00 0.62 0.82 -2.79 0.00 0.00 178.44 177.09 1ujo h ILE 18 N -1.03 0.18 0.13 2.65 2.04 0.12 1.11 117.51 122.71 1ujo h ILE 18 Ca -0.03 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 1ujo h ILE 18 Cb 0.33 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 1ujo h ILE 18 CO 0.04 0.00 -0.06 0.58 0.00 0.00 0.00 178.15 178.71 1ujo h VAL 19 N 0.00 1.01 -0.40 1.67 2.07 -0.11 -0.92 116.25 119.58 1ujo h VAL 19 Ca 0.20 -1.14 -0.14 0.00 0.82 0.00 0.00 66.70 66.44 1ujo h VAL 19 Cb 1.44 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 1ujo h VAL 19 CO -0.00 0.25 -0.29 -0.37 0.02 0.00 0.00 177.57 177.18 1ujo h VAL 20 N -0.77 1.28 0.16 2.57 -1.51 0.00 1.61 116.25 119.58 1ujo h VAL 20 Ca -0.02 -1.45 -0.01 0.00 -1.23 0.00 0.00 66.70 63.99 1ujo h VAL 20 Cb 0.54 1.33 -0.00 0.00 -2.13 0.00 0.00 31.29 31.03 1ujo h VAL 20 CO 0.03 0.49 -0.11 1.56 -1.23 0.00 0.00 177.57 178.30 1ujo h GLN 21 N 0.71 -0.25 0.24 5.19 1.08 0.95 -3.30 115.11 119.73 1ujo h GLN 21 Ca 0.08 0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.28 1ujo h GLN 21 Cb 0.87 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.36 1ujo h GLN 21 CO 0.08 -0.17 -0.12 0.00 -0.95 0.00 0.00 178.83 177.67 1ujo n GLY 23 N 0.05 1.64 2.33 0.00 0.00 0.55 -4.81 105.19 104.94 1ujo n GLY 23 Ca -0.09 -2.23 -0.20 0.00 0.00 0.00 0.00 46.02 43.49 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 -1.04 2.22 0.00 1.61 -0.04 -1.25 -3.32 135.00 133.19 1ujo n PRO 24 Ca 0.00 -1.33 0.00 0.00 -0.04 0.00 0.00 63.50 62.13 1ujo n PRO 24 Cb 0.00 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.18 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 3.36 0.77 0.15 3.54 -0.08 -1.26 -4.77 116.55 118.26 1ujo n ASP 25 Ca 0.47 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.76 1ujo n ASP 25 Cb 0.40 0.00 0.28 0.00 2.34 0.00 0.00 41.12 44.14 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 1.32 0.00 5.18 -1.51 -1.91 -3.49 116.25 115.85 1ujo h VAL 26 Ca 0.00 -1.54 0.00 0.00 -1.23 0.00 0.00 66.70 63.93 1ujo h VAL 26 Cb 0.54 1.79 0.00 0.00 -2.13 0.00 0.00 31.29 31.49 1ujo h VAL 26 CO 0.00 0.45 0.00 0.61 -1.23 0.00 0.00 177.57 177.40 1ujo n GLY 27 N -0.22 -1.04 3.65 5.19 0.00 -1.26 -4.97 105.19 106.54 1ujo n GLY 27 Ca -0.02 -1.44 -0.29 0.00 0.00 0.00 0.00 46.02 44.27 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 2.02 0.86 1.61 0.52 -1.26 -4.86 118.95 117.84 1ujo s ARG 28 Ca 0.00 -2.16 -0.12 0.00 -0.52 0.00 0.00 55.73 52.93 1ujo s ARG 28 Cb 0.00 -1.63 0.11 0.00 0.52 0.00 0.00 34.95 33.95 1ujo s ARG 28 CO 0.00 -0.12 1.12 -1.25 0.02 0.00 0.00 175.30 175.07 1ujo s PRO 29 N -3.75 1.54 0.00 3.54 0.04 -1.26 -5.03 135.00 130.07 1ujo s PRO 29 Ca 0.29 0.43 0.00 0.00 0.04 0.00 0.00 61.00 61.77 1ujo s PRO 29 Cb 0.08 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.75 1ujo s PRO 29 CO 0.15 -1.95 0.00 -3.47 0.04 0.00 0.00 177.00 171.77 1ujo n ASP 30 N -3.62 -0.87 -3.68 6.66 2.03 -1.26 -4.91 116.55 110.90 1ujo n ASP 30 Ca 0.07 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.17 1ujo n ASP 30 Cb 0.58 0.00 0.15 0.00 -0.72 0.00 0.00 41.12 41.13 1ujo n ASP 30 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ujo n ARG 31 N -0.87 -2.21 0.00 -0.67 1.74 -1.26 -4.76 116.66 108.62 1ujo n ARG 31 Ca 0.00 -0.65 0.00 0.00 -0.77 0.00 0.00 57.85 56.43 1ujo n ARG 31 Cb 0.00 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.94 1ujo n ARG 31 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ujo n GLY 32 N 2.40 -2.78 3.79 -0.13 0.00 -1.26 -4.36 105.19 102.85 1ujo n GLY 32 Ca 0.05 0.51 -0.32 0.00 0.00 0.00 0.00 46.02 46.27 1ujo n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ujo s ARG 33 N -0.75 2.70 -0.03 1.61 0.52 -1.26 -4.40 118.95 117.34 1ujo s ARG 33 Ca 0.00 1.16 -0.00 0.00 -0.52 0.00 0.00 55.73 56.37 1ujo s ARG 33 Cb 0.00 -1.95 0.00 0.00 0.52 0.00 0.00 34.95 33.52 1ujo s ARG 33 CO 0.00 -1.30 0.00 1.28 0.02 0.00 0.00 175.30 175.31 1ujo n LEU 34 N -2.98 -4.15 0.02 2.53 4.77 -1.26 -4.86 117.00 111.08 1ujo n LEU 34 Ca 0.09 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.65 1ujo n LEU 34 Cb 0.53 -1.77 0.00 0.00 -2.33 0.00 0.00 43.42 39.85 1ujo n LEU 34 CO 0.52 -1.76 0.00 0.61 -1.33 0.00 0.00 177.39 175.43 1ujo n GLY 35 N 1.35 -1.74 0.39 -0.72 0.00 -1.26 -4.37 105.19 98.84 1ujo n GLY 35 Ca -0.01 0.62 0.18 0.00 0.00 0.00 0.00 46.02 46.81 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 0.76 0.11 1.61 3.57 -1.83 1.25 116.94 122.42 1ujo h PHE 36 Ca 0.00 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1ujo h PHE 36 Cb 0.00 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.51 1ujo h PHE 36 CO 0.00 0.16 -0.05 0.37 -2.23 0.00 0.00 178.31 176.56 1ujo h GLN 37 N 0.54 -0.14 -0.40 1.11 -0.00 -1.92 0.18 115.11 114.48 1ujo h GLN 37 Ca 0.54 0.01 -0.14 0.00 -0.00 0.00 0.00 58.65 59.06 1ujo h GLN 37 Cb 1.15 0.03 -0.01 0.00 0.00 0.00 0.00 27.48 28.66 1ujo h GLN 37 CO -0.28 0.01 -0.30 0.28 0.00 0.00 0.00 178.83 178.54 1ujo h VAL 38 N -0.27 1.28 -0.95 2.39 2.07 -1.40 -1.53 116.25 117.83 1ujo h VAL 38 Ca -0.02 -1.47 0.14 0.00 0.82 0.00 0.00 66.70 66.18 1ujo h VAL 38 Cb 0.22 1.33 -0.08 0.00 -1.52 0.00 0.00 31.29 31.24 1ujo h VAL 38 CO 0.02 0.49 0.61 -0.25 0.02 0.00 0.00 177.57 178.46 1ujo h TRP 39 N 0.72 0.99 -1.18 1.57 7.01 0.16 0.79 115.95 126.01 1ujo h TRP 39 Ca 0.08 0.03 -0.64 0.00 2.11 0.00 0.00 58.89 60.47 1ujo h TRP 39 Cb 0.88 -0.31 -0.36 0.00 -2.10 0.00 0.00 29.16 27.28 1ujo h TRP 39 CO 0.06 0.36 0.06 1.28 -2.79 0.00 0.00 178.44 177.41 1ujo n LEU 40 N -4.61 6.22 -0.06 0.65 4.77 0.04 -4.60 117.00 119.42 1ujo n LEU 40 Ca 0.19 -4.71 -0.08 0.00 -0.03 0.00 0.00 56.01 51.38 1ujo n LEU 40 Cb 0.43 -0.69 -0.03 0.00 -2.33 0.00 0.00 43.42 40.80 1ujo n LEU 40 CO 0.28 1.87 -0.58 1.17 -1.33 0.00 0.00 177.39 178.79 1ujo n LYS 41 N -0.71 0.40 -0.34 3.23 4.81 0.27 -4.63 118.16 121.19 1ujo n LYS 41 Ca 0.51 0.16 -0.02 0.00 -0.87 0.00 0.00 58.31 58.09 1ujo n LYS 41 Cb 0.69 -1.19 0.04 0.00 0.02 0.00 0.00 35.03 34.58 1ujo n LYS 41 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 1ujo h ASN 42 N -0.74 -1.37 0.00 3.14 4.21 -1.81 -3.46 115.58 115.56 1ujo h ASN 42 Ca -0.06 0.29 0.00 0.00 1.21 0.00 0.00 56.30 57.74 1ujo h ASN 42 Cb 0.82 0.72 0.00 0.00 -1.12 0.00 0.00 38.32 38.74 1ujo h ASN 42 CO -0.04 -0.29 0.00 0.61 -1.29 0.00 0.00 177.43 176.42 1ujo n GLY 43 N -1.47 2.21 0.32 2.83 0.00 -1.26 -4.53 105.19 103.29 1ujo n GLY 43 Ca 0.09 -0.25 0.20 0.00 0.00 0.00 0.00 46.02 46.06 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 0.18 -0.07 1.61 2.07 -1.91 1.48 116.25 119.62 1ujo h VAL 44 Ca 0.00 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 1ujo h VAL 44 Cb 0.00 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 29.79 1ujo h VAL 44 CO 0.00 0.03 -0.03 0.40 0.02 0.00 0.00 177.57 177.99 1ujo h ILE 45 N 0.15 1.32 -0.50 4.57 2.04 -1.91 0.01 117.51 123.19 1ujo h ILE 45 Ca 0.67 -1.03 0.05 0.00 1.00 0.00 0.00 64.86 65.55 1ujo h ILE 45 Cb 1.50 1.87 -0.05 0.00 -0.74 0.00 0.00 36.82 39.41 1ujo h ILE 45 CO -0.72 0.28 0.23 -0.07 0.00 0.00 0.00 178.15 177.87 1ujo h LEU 46 N -0.24 0.29 -1.20 1.44 3.38 0.07 0.21 115.31 119.27 1ujo h LEU 46 Ca 0.01 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1ujo h LEU 46 Cb 0.47 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1ujo h LEU 46 CO 0.01 0.20 0.14 0.77 0.09 0.00 0.00 178.44 179.65 1ujo h SER 47 N 0.44 0.64 -0.12 -0.43 4.64 0.17 -1.59 113.55 117.29 1ujo h SER 47 Ca 0.23 -0.09 -0.10 0.00 -0.47 0.00 0.00 61.79 61.36 1ujo h SER 47 Cb 0.19 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1ujo h SER 47 CO -0.19 0.62 -0.23 0.11 -0.87 0.00 0.00 176.83 176.27 1ujo h LYS 48 N 0.68 0.55 0.00 4.77 1.57 0.74 -1.95 116.57 122.93 1ujo h LYS 48 Ca 0.16 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1ujo h LYS 48 Cb 0.22 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1ujo h LYS 48 CO -0.01 0.74 0.00 -0.11 -0.57 0.00 0.00 179.45 179.50 1ujo n LEU 49 N -4.13 0.00 -0.32 2.94 7.94 0.57 -0.88 117.00 123.13 1ujo n LEU 49 Ca -0.00 0.92 0.21 0.00 -1.11 0.00 0.00 56.01 56.03 1ujo n LEU 49 Cb 0.40 -0.42 0.42 0.00 0.53 0.00 0.00 43.42 44.35 1ujo n LEU 49 CO 0.42 -0.42 1.02 1.62 -1.11 0.00 0.00 177.39 178.93 1ujo h VAL 50 N 0.00 0.22 0.19 1.96 3.04 -1.53 0.30 116.25 120.43 1ujo h VAL 50 Ca 0.00 -0.07 0.01 0.00 -1.01 0.00 0.00 66.70 65.63 1ujo h VAL 50 Cb 0.00 0.00 -0.04 0.00 -2.01 0.00 0.00 31.29 29.24 1ujo h VAL 50 CO 0.00 0.04 -0.50 0.78 -1.01 0.00 0.00 177.57 176.88 1ujo h ASN 51 N 0.20 -1.46 -0.97 3.17 2.35 -1.07 -0.77 115.58 117.03 1ujo h ASN 51 Ca 0.68 0.15 0.27 0.00 -0.55 0.00 0.00 56.30 56.85 1ujo h ASN 51 Cb 1.55 0.53 -0.18 0.00 0.05 0.00 0.00 38.32 40.28 1ujo h ASN 51 CO -0.68 -0.56 0.02 -1.20 -1.65 0.00 0.00 177.43 173.36 1ujo n SER 52 N -5.50 -0.11 0.00 5.81 7.64 0.10 -1.84 113.62 119.73 1ujo n SER 52 Ca -0.09 1.65 0.00 0.00 1.01 0.00 0.00 58.87 61.44 1ujo n SER 52 Cb 0.41 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 1ujo n SER 52 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ujo n LEU 53 N -5.44 0.15 -3.41 -3.43 4.77 -0.41 -4.78 117.00 104.44 1ujo n LEU 53 Ca 0.23 0.56 -0.31 0.00 -0.03 0.00 0.00 56.01 56.46 1ujo n LEU 53 Cb 0.75 -0.09 0.01 0.00 -2.33 0.00 0.00 43.42 41.76 1ujo n LEU 53 CO -0.07 -0.09 -0.58 -1.22 -1.33 0.00 0.00 177.39 174.10 1ujo n TYR 54 N -0.77 -2.54 -1.54 -1.77 4.02 -0.53 -4.84 117.16 109.20 1ujo n TYR 54 Ca 0.00 0.33 -0.29 0.00 -0.01 0.00 0.00 57.90 57.93 1ujo n TYR 54 Cb 0.00 -1.34 0.14 0.00 -0.02 0.00 0.00 39.34 38.12 1ujo n TYR 54 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1ujo s PRO 55 N -0.90 1.07 0.22 -0.72 0.04 -1.26 -4.85 135.00 128.61 1ujo s PRO 55 Ca 0.45 0.26 -0.07 0.00 0.04 0.00 0.00 61.00 61.68 1ujo s PRO 55 Cb -0.38 -1.83 0.18 0.00 0.04 0.00 0.00 34.50 32.51 1ujo s PRO 55 CO 0.55 -2.24 1.78 0.93 0.04 0.00 0.00 177.00 178.06 1ujo h GLU 56 N -1.53 1.16 -1.85 4.56 5.08 -1.92 -2.71 114.58 117.37 1ujo h GLU 56 Ca -0.50 -0.22 -0.26 0.00 -1.00 0.00 0.00 59.36 57.38 1ujo h GLU 56 Cb 1.33 -0.18 -0.10 0.00 0.50 0.00 0.00 28.75 30.29 1ujo h GLU 56 CO 0.61 0.95 0.14 0.41 -1.00 0.00 0.00 179.01 180.12 1ujo n GLY 57 N -0.86 3.55 1.28 -3.84 0.00 -1.26 -4.18 105.19 99.88 1ujo n GLY 57 Ca 0.07 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.03 1ujo n GLY 57 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ujo n SER 58 N 1.21 0.00 -3.17 1.61 2.88 -1.03 -5.10 113.62 110.02 1ujo n SER 58 Ca 0.30 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.81 1ujo n SER 58 Cb 0.63 0.09 0.00 0.00 -0.75 0.00 0.00 64.21 64.18 1ujo n SER 58 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1ujo n LYS 59 N -1.96 -0.73 0.09 -1.46 4.01 -1.16 -4.93 118.16 112.02 1ujo n LYS 59 Ca 0.00 1.03 -0.05 0.00 -0.51 0.00 0.00 58.31 58.78 1ujo n LYS 59 Cb 0.00 -1.54 -0.02 0.00 -0.51 0.00 0.00 35.03 32.96 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 3.41 -0.30 -7.51 1.97 0.13 -1.95 -3.46 132.00 124.29 1ujo h PRO 60 Ca -0.05 0.02 -0.48 0.00 -0.87 0.00 0.00 66.00 64.62 1ujo h PRO 60 Cb 0.93 0.07 0.10 0.00 0.13 0.00 0.00 31.00 32.23 1ujo h PRO 60 CO 0.03 -0.20 0.38 0.08 -0.23 0.00 0.00 178.00 178.07 1ujo s VAL 61 N -2.55 2.76 -0.27 1.56 1.01 -1.26 -5.06 120.40 116.59 1ujo s VAL 61 Ca -0.05 0.25 -0.01 0.00 0.00 0.00 0.00 61.98 62.17 1ujo s VAL 61 Cb 0.00 -3.17 0.08 0.00 0.00 0.00 0.00 36.38 33.30 1ujo s VAL 61 CO 0.14 -0.32 0.05 -0.54 0.00 0.00 0.00 175.10 174.42 1ujo s LYS 62 N -5.38 0.95 -0.15 2.72 1.02 -1.26 -5.05 119.74 112.59 1ujo s LYS 62 Ca 0.61 -0.94 0.00 0.00 0.02 0.00 0.00 55.97 55.65 1ujo s LYS 62 Cb -0.12 -2.23 -0.01 0.00 -0.52 0.00 0.00 37.83 34.95 1ujo s LYS 62 CO 0.52 -0.81 -0.15 0.54 -0.92 0.00 0.00 175.35 174.53 1ujo s VAL 63 N 1.58 2.76 1.12 3.17 0.11 -1.26 -5.05 120.40 122.82 1ujo s VAL 63 Ca 0.04 -0.75 -0.19 0.00 -2.93 0.00 0.00 61.98 58.15 1ujo s VAL 63 Cb -0.18 -2.16 0.27 0.00 -1.53 0.00 0.00 36.38 32.78 1ujo s VAL 63 CO -0.16 0.52 1.24 -2.16 -3.33 0.00 0.00 175.10 171.21 1ujo s PRO 64 N 0.68 -0.60 0.26 1.54 0.04 -1.26 -4.96 135.00 130.70 1ujo s PRO 64 Ca -0.07 -0.37 0.01 0.00 0.04 0.00 0.00 61.00 60.61 1ujo s PRO 64 Cb -0.16 -1.70 0.34 0.00 0.04 0.00 0.00 34.50 33.02 1ujo s PRO 64 CO 0.02 -3.25 1.67 0.93 0.04 0.00 0.00 177.00 176.41 1ujo h GLU 65 N -2.24 0.48 -6.22 4.56 5.08 -2.04 -3.44 114.58 110.76 1ujo h GLU 65 Ca -0.43 -0.21 -0.56 0.00 -1.00 0.00 0.00 59.36 57.16 1ujo h GLU 65 Cb 1.25 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 30.39 1ujo h GLU 65 CO 0.30 0.76 -0.64 -0.80 -1.00 0.00 0.00 179.01 177.63 1ujo s ASN 66 N -6.83 4.62 0.26 1.42 0.01 -1.26 -5.11 114.94 108.05 1ujo s ASN 66 Ca -0.07 -0.60 -0.30 0.00 -0.71 0.00 0.00 52.86 51.19 1ujo s ASN 66 Cb 0.13 -0.89 -0.09 0.00 0.41 0.00 0.00 41.25 40.81 1ujo s ASN 66 CO 0.80 0.01 1.09 -2.16 -1.51 0.00 0.00 177.10 175.33 1ujo s PRO 67 N -3.61 4.65 0.00 -0.60 0.04 -1.26 -5.05 135.00 129.18 1ujo s PRO 67 Ca 0.31 1.77 0.00 0.00 0.04 0.00 0.00 61.00 63.12 1ujo s PRO 67 Cb -0.07 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.27 1ujo s PRO 67 CO 0.20 0.22 0.00 -0.35 0.04 0.00 0.00 177.00 177.11 1ujo n PRO 68 N 1.36 -0.39 0.00 0.56 -0.04 -1.26 -5.11 135.00 130.12 1ujo n PRO 68 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1ujo n PRO 68 Cb 0.45 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.91 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 -2.78 0.25 -1.24 3.54 2.88 -1.26 -4.97 113.62 110.05 1ujo n SER 69 Ca 0.00 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.68 1ujo n SER 69 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 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 -2.47 -0.05 -1.46 2.81 -1.26 -3.04 117.12 111.65 1ujo n MET 70 Ca 0.00 1.92 -0.02 0.00 -1.81 0.00 0.00 57.70 57.79 1ujo n MET 70 Cb 0.00 -3.05 -0.01 0.00 -0.71 0.00 0.00 33.22 29.46 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 -1.33 0.00 -0.89 2.03 2.07 -2.00 -2.95 116.25 113.18 1ujo h VAL 71 Ca -0.10 -0.81 0.20 0.00 0.82 0.00 0.00 66.70 66.82 1ujo h VAL 71 Cb 1.21 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.81 1ujo h VAL 71 CO 0.05 0.00 -0.11 -0.26 0.02 0.00 0.00 177.57 177.26 1ujo h PHE 72 N -0.81 -0.28 0.69 1.57 -1.00 -1.99 0.45 116.94 115.57 1ujo h PHE 72 Ca 0.00 0.07 -0.03 0.00 2.81 0.00 0.00 57.97 60.82 1ujo h PHE 72 Cb 0.19 0.26 0.01 0.00 3.61 0.00 0.00 35.95 40.02 1ujo h PHE 72 CO -0.08 -0.37 -0.33 0.87 -1.61 0.00 0.00 178.31 176.79 1ujo h LYS 73 N 0.02 -0.89 -0.76 1.51 1.79 -1.74 -0.71 116.57 115.79 1ujo h LYS 73 Ca 0.47 0.06 0.09 0.00 -2.18 0.00 0.00 60.65 59.09 1ujo h LYS 73 Cb 0.82 0.20 -0.11 0.00 -1.58 0.00 0.00 32.23 31.56 1ujo h LYS 73 CO -0.87 -0.59 -0.51 1.96 -1.08 0.00 0.00 179.45 178.36 1ujo h GLN 74 N -0.96 -0.14 -0.56 3.15 1.08 -0.96 0.23 115.11 116.94 1ujo h GLN 74 Ca -0.09 0.01 0.11 0.00 -1.45 0.00 0.00 58.65 57.23 1ujo h GLN 74 Cb 0.71 0.03 -0.10 0.00 -0.05 0.00 0.00 27.48 28.07 1ujo h GLN 74 CO 0.15 -0.09 -0.08 0.52 -0.95 0.00 0.00 178.83 178.38 1ujo h MET 75 N -0.15 0.04 -0.38 1.46 2.86 -0.15 -0.71 114.93 117.91 1ujo h MET 75 Ca 0.18 -0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.90 1ujo h MET 75 Cb 0.52 -0.01 -0.08 0.00 0.06 0.00 0.00 31.60 32.09 1ujo h MET 75 CO -0.81 0.03 -0.14 0.93 1.06 0.00 0.00 176.91 177.98 1ujo h GLU 76 N 0.04 -0.06 -0.99 1.72 4.39 0.96 -0.93 114.58 119.70 1ujo h GLU 76 Ca 0.28 0.00 0.14 0.00 0.34 0.00 0.00 59.36 60.13 1ujo h GLU 76 Cb 0.44 0.01 -0.15 0.00 -0.10 0.00 0.00 28.75 28.95 1ujo h GLU 76 CO -0.54 -0.04 -0.42 0.94 -1.16 0.00 0.00 179.01 177.79 1ujo n GLN 77 N -5.34 -0.26 0.34 2.33 -0.06 -0.25 0.77 117.38 114.91 1ujo n GLN 77 Ca 0.02 1.52 -0.17 0.00 -2.00 0.00 0.00 57.00 56.37 1ujo n GLN 77 Cb 0.25 -2.25 -0.09 0.00 -4.06 0.00 0.00 30.24 24.09 1ujo n GLN 77 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 1ujo h VAL 78 N 0.00 0.38 -0.86 1.69 2.07 -1.19 -2.70 116.25 115.64 1ujo h VAL 78 Ca 0.32 -0.07 0.17 0.00 0.82 0.00 0.00 66.70 67.93 1ujo h VAL 78 Cb 0.56 0.41 -0.16 0.00 -1.52 0.00 0.00 31.29 30.58 1ujo h VAL 78 CO -0.98 0.01 -0.24 0.00 0.02 0.00 0.00 177.57 176.38 1ujo h ALA 79 N -0.51 0.49 -0.91 1.67 0.00 0.55 1.38 119.26 121.92 1ujo h ALA 79 Ca -0.08 0.32 0.20 0.00 0.00 0.00 0.00 54.91 55.34 1ujo h ALA 79 Cb 0.65 0.70 -0.11 0.00 0.00 0.00 0.00 17.79 19.03 1ujo h ALA 79 CO 0.14 -0.44 0.46 1.96 0.00 0.00 0.00 179.25 181.37 1ujo h GLN 80 N -0.01 0.52 -0.04 0.00 4.20 0.64 -0.05 115.11 120.37 1ujo h GLN 80 Ca 0.40 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.98 1ujo h GLN 80 Cb 0.62 -0.12 0.01 0.00 0.30 0.00 0.00 27.48 28.29 1ujo h GLN 80 CO -0.89 0.34 -0.36 0.35 -0.67 0.00 0.00 178.83 177.60 1ujo h PHE 81 N 0.53 0.44 -0.05 2.96 3.57 0.18 -2.74 116.94 121.84 1ujo h PHE 81 Ca 0.55 -0.21 0.01 0.00 3.53 0.00 0.00 57.97 61.84 1ujo h PHE 81 Cb 0.94 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.60 1ujo h PHE 81 CO -0.09 0.98 -0.17 -0.07 -2.23 0.00 0.00 178.31 176.73 1ujo h LEU 82 N -0.22 -0.56 -0.92 0.59 3.38 0.16 1.54 115.31 119.27 1ujo h LEU 82 Ca -0.03 0.07 0.23 0.00 0.09 0.00 0.00 57.88 58.23 1ujo h LEU 82 Cb 1.05 0.22 -0.12 0.00 0.09 0.00 0.00 40.66 41.89 1ujo h LEU 82 CO 0.07 -0.15 0.44 0.11 0.09 0.00 0.00 178.44 179.01 1ujo h LYS 83 N -0.18 0.43 -0.72 1.13 1.79 -1.20 1.01 116.57 118.82 1ujo h LYS 83 Ca 0.01 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.42 1ujo h LYS 83 Cb 0.21 -0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 30.73 1ujo h LYS 83 CO -0.14 0.28 0.32 0.00 -1.08 0.00 0.00 179.45 178.83 1ujo h ALA 84 N 1.72 1.21 0.00 3.86 0.00 -0.65 -0.68 119.26 124.71 1ujo h ALA 84 Ca 0.58 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.31 1ujo h ALA 84 Cb 1.11 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1ujo h ALA 84 CO -0.52 0.59 -0.13 0.00 0.00 0.00 0.00 179.25 179.20 1ujo h ALA 85 N 1.32 1.71 0.12 0.00 0.00 1.02 -2.53 119.26 120.90 1ujo h ALA 85 Ca 0.25 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1ujo h ALA 85 Cb 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1ujo h ALA 85 CO -0.03 0.16 -0.06 1.49 0.00 0.00 0.00 179.25 180.81 1ujo h GLU 86 N 0.00 -0.16 -0.80 0.00 4.22 0.36 -3.06 114.58 115.14 1ujo h GLU 86 Ca -0.00 0.01 0.17 0.00 0.08 0.00 0.00 59.36 59.62 1ujo h GLU 86 Cb 0.23 0.04 -0.11 0.00 0.50 0.00 0.00 28.75 29.41 1ujo h GLU 86 CO 0.02 0.19 0.31 -0.44 -2.18 0.00 0.00 179.01 176.90 1ujo h ASP 87 N -0.54 0.24 -1.14 1.04 3.32 -1.05 0.35 116.42 118.65 1ujo h ASP 87 Ca -0.02 0.13 0.34 0.00 0.02 0.00 0.00 57.03 57.51 1ujo h ASP 87 Cb 0.43 0.13 -0.12 0.00 0.22 0.00 0.00 39.33 39.98 1ujo h ASP 87 CO 0.03 0.04 0.71 0.22 -1.72 0.00 0.00 179.24 178.52 1ujo h TYR 88 N 0.40 0.67 0.00 4.55 3.20 -1.37 -3.43 116.97 120.99 1ujo h TYR 88 Ca 0.46 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.36 1ujo h TYR 88 Cb 0.79 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.88 1ujo h TYR 88 CO -0.18 -0.10 0.00 0.41 -1.64 0.00 0.00 178.16 176.65 1ujo n GLY 89 N -1.45 0.71 3.73 1.82 0.00 0.12 -5.08 105.19 105.05 1ujo n GLY 89 Ca 0.31 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.35 4.77 0.70 1.61 1.01 -0.88 -5.02 120.40 121.24 1ujo s VAL 90 Ca 0.00 -0.07 -0.12 0.00 0.00 0.00 0.00 61.98 61.80 1ujo s VAL 90 Cb 0.00 -3.06 0.18 0.00 0.00 0.00 0.00 36.38 33.49 1ujo s VAL 90 CO 0.00 0.57 0.58 2.30 0.00 0.00 0.00 175.10 178.55 1ujo n ILE 91 N 2.45 0.00 0.40 2.22 -5.35 -1.26 -4.67 119.36 113.15 1ujo n ILE 91 Ca -0.19 -0.21 0.11 0.00 -0.27 0.00 0.00 62.75 62.19 1ujo n ILE 91 Cb 0.54 -1.01 -0.14 0.00 -1.74 0.00 0.00 39.64 37.29 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 -3.49 0.39 -0.06 6.28 4.81 -1.26 -3.89 118.16 120.94 1ujo n LYS 92 Ca 0.08 -0.11 0.12 0.00 -0.87 0.00 0.00 58.31 57.53 1ujo n LYS 92 Cb 0.32 -1.52 0.40 0.00 0.02 0.00 0.00 35.03 34.25 1ujo n LYS 92 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1ujo n THR 93 N -1.97 0.15 -0.01 3.15 -1.04 -1.26 -3.61 114.28 109.69 1ujo n THR 93 Ca -0.01 -0.35 0.04 0.00 -2.04 0.00 0.00 64.05 61.69 1ujo n THR 93 Cb 0.47 0.51 -0.08 0.00 -1.82 0.00 0.00 70.33 69.41 1ujo n THR 93 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1ujo n ASP 94 N 0.40 2.65 -4.84 8.00 8.00 -1.26 -5.02 116.55 124.49 1ujo n ASP 94 Ca 0.17 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.38 1ujo n ASP 94 Cb 0.37 1.36 0.10 0.00 -0.02 0.00 0.00 41.12 42.93 1ujo n ASP 94 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1ujo s MET 95 N -2.64 1.79 0.42 -1.24 -1.94 -1.24 -1.88 119.30 112.57 1ujo s MET 95 Ca -0.04 0.31 0.04 0.00 -1.71 0.00 0.00 55.69 54.29 1ujo s MET 95 Cb 0.06 -1.91 -0.02 0.00 2.01 0.00 0.00 34.83 34.97 1ujo s MET 95 CO 0.42 -1.76 0.14 -0.59 -0.01 0.00 0.00 175.02 173.22 1ujo s PHE 96 N -3.37 1.78 -0.18 -0.03 -0.71 -1.26 -4.87 117.98 109.34 1ujo s PHE 96 Ca 0.62 -1.31 -0.10 0.00 -1.04 0.00 0.00 56.93 55.10 1ujo s PHE 96 Cb -0.13 -1.16 -0.05 0.00 -1.21 0.00 0.00 43.02 40.47 1ujo s PHE 96 CO 0.52 -0.32 0.14 -0.65 -1.34 0.00 0.00 175.22 173.57 1ujo s GLN 97 N -3.68 4.05 0.26 1.99 -0.21 -1.26 -4.97 119.66 115.83 1ujo s GLN 97 Ca 0.22 -0.19 -0.01 0.00 0.02 0.00 0.00 55.36 55.40 1ujo s GLN 97 Cb 0.02 -3.38 0.57 0.00 1.00 0.00 0.00 33.01 31.22 1ujo s GLN 97 CO 0.14 0.39 1.33 2.41 -2.12 0.00 0.00 175.29 177.45 1ujo n THR 98 N 3.23 -0.36 0.06 -0.19 -1.04 -1.26 0.17 114.28 114.90 1ujo n THR 98 Ca -0.17 1.90 -0.11 0.00 -2.04 0.00 0.00 64.05 63.63 1ujo n THR 98 Cb 0.53 -2.73 -0.05 0.00 -1.82 0.00 0.00 70.33 66.26 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 0.60 -1.99 12.58 3.04 -1.95 1.62 116.25 130.14 1ujo h VAL 99 Ca 0.48 0.00 0.58 0.00 -1.01 0.00 0.00 66.70 66.75 1ujo h VAL 99 Cb 0.93 0.60 -0.08 0.00 -2.01 0.00 0.00 31.29 30.72 1ujo h VAL 99 CO -0.83 0.00 1.44 0.47 -1.01 0.00 0.00 177.57 177.64 1ujo n ASP 100 N -5.30 0.00 -0.07 3.17 8.00 0.46 0.14 116.55 122.95 1ujo n ASP 100 Ca -0.05 1.00 -0.07 0.00 0.71 0.00 0.00 54.79 56.38 1ujo n ASP 100 Cb 0.22 -0.50 -0.02 0.00 -0.02 0.00 0.00 41.12 40.79 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 -3.94 1.55 -0.13 0.64 7.94 0.10 -1.52 117.00 121.64 1ujo n LEU 101 Ca 0.45 0.26 -0.11 0.00 -1.11 0.00 0.00 56.01 55.51 1ujo n LEU 101 Cb 2.04 -0.69 -0.06 0.00 0.53 0.00 0.00 43.42 45.24 1ujo n LEU 101 CO 0.45 -0.32 0.56 0.22 -1.11 0.00 0.00 177.39 177.19 1ujo h TYR 102 N -0.80 -1.36 -0.65 1.96 3.20 0.34 0.12 116.97 119.78 1ujo h TYR 102 Ca 0.00 0.07 -0.16 0.00 3.14 0.00 0.00 58.73 61.79 1ujo h TYR 102 Cb 0.79 0.65 -0.09 0.00 1.54 0.00 0.00 36.73 39.62 1ujo h TYR 102 CO -0.34 -0.45 0.20 0.39 -1.64 0.00 0.00 178.16 176.31 1ujo n GLU 103 N -5.41 3.79 -3.34 1.82 -0.58 0.37 -4.90 120.64 112.40 1ujo n GLU 103 Ca -0.01 -2.84 -0.21 0.00 -0.42 0.00 0.00 57.16 53.67 1ujo n GLU 103 Cb 0.35 -2.17 -0.04 0.00 -0.57 0.00 0.00 31.44 29.02 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 0.06 -0.39 0.34 0.62 0.00 0.41 -4.67 105.19 101.56 1ujo n GLY 104 Ca 0.35 0.03 0.18 0.00 0.00 0.00 0.00 46.02 46.58 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 -0.43 0.00 -0.29 1.61 1.57 -1.03 -3.40 116.57 114.61 1ujo h LYS 105 Ca -0.29 0.00 0.25 0.00 -1.87 0.00 0.00 60.65 58.74 1ujo h LYS 105 Cb 1.08 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 33.16 1ujo h LYS 105 CO 0.44 0.00 0.29 -0.51 -0.57 0.00 0.00 179.45 179.10 1ujo s ASP 106 N -5.28 -0.27 -0.00 0.86 1.11 -0.57 -4.88 116.67 107.63 1ujo s ASP 106 Ca -0.04 0.24 0.01 0.00 0.18 0.00 0.00 52.55 52.94 1ujo s ASP 106 Cb 0.13 1.26 -0.26 0.00 1.07 0.00 0.00 42.92 45.12 1ujo s ASP 106 CO 0.46 -0.05 0.82 0.24 1.18 0.00 0.00 175.17 177.81 1ujo h MET 107 N 7.71 0.16 -0.52 8.23 2.86 -1.77 -3.12 114.93 128.48 1ujo h MET 107 Ca -0.13 -0.28 0.10 0.00 -2.06 0.00 0.00 59.70 57.34 1ujo h MET 107 Cb 1.16 0.10 -0.09 0.00 0.06 0.00 0.00 31.60 32.83 1ujo h MET 107 CO -0.08 0.97 -0.01 0.00 1.06 0.00 0.00 176.91 178.85 1ujo h ALA 108 N 0.63 0.49 0.22 6.32 0.00 -1.96 0.35 119.26 125.31 1ujo h ALA 108 Ca -0.24 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1ujo h ALA 108 Cb 1.99 0.27 0.00 0.00 0.00 0.00 0.00 17.79 20.05 1ujo h ALA 108 CO 0.13 -0.39 -0.11 0.00 0.00 0.00 0.00 179.25 178.89 1ujo h ALA 109 N 1.47 -0.29 -0.80 0.00 0.00 -1.97 0.60 119.26 118.26 1ujo h ALA 109 Ca 0.26 -0.18 0.23 0.00 0.00 0.00 0.00 54.91 55.23 1ujo h ALA 109 Cb 0.40 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1ujo h ALA 109 CO -0.44 -0.50 0.76 0.28 0.00 0.00 0.00 179.25 179.35 1ujo h VAL 110 N -0.63 0.29 0.00 0.00 2.07 -1.28 0.21 116.25 116.90 1ujo h VAL 110 Ca -0.03 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.42 1ujo h VAL 110 Cb 0.45 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1ujo h VAL 110 CO 0.05 0.00 -0.40 1.56 0.02 0.00 0.00 177.57 178.80 1ujo h GLN 111 N 0.00 0.00 -1.80 1.57 4.20 0.16 -3.32 115.11 115.92 1ujo h GLN 111 Ca 0.38 0.00 0.55 0.00 0.06 0.00 0.00 58.65 59.64 1ujo h GLN 111 Cb 1.90 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 29.58 1ujo h GLN 111 CO -0.00 0.97 1.26 -0.09 -0.67 0.00 0.00 178.83 180.29 1ujo h ARG 112 N -1.00 0.00 0.44 1.46 1.12 0.17 0.35 114.38 116.93 1ujo h ARG 112 Ca -0.11 -0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.74 1ujo h ARG 112 Cb 1.07 -0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.03 1ujo h ARG 112 CO -0.07 0.00 -0.21 1.15 -3.11 0.00 0.00 179.97 177.73 1ujo h THR 113 N 0.00 0.00 -0.70 0.20 2.02 -0.94 -2.68 112.91 110.81 1ujo h THR 113 Ca 0.93 -0.29 0.14 0.00 0.77 0.00 0.00 66.41 67.97 1ujo h THR 113 Cb 3.51 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 69.79 1ujo h THR 113 CO -0.16 0.00 -0.14 -0.07 0.37 0.00 0.00 175.52 175.52 1ujo h LEU 114 N -0.88 -0.59 -1.45 2.58 3.38 -0.48 1.04 115.31 118.90 1ujo h LEU 114 Ca -0.06 0.20 0.23 0.00 0.09 0.00 0.00 57.88 58.34 1ujo h LEU 114 Cb 0.46 0.41 -0.08 0.00 0.09 0.00 0.00 40.66 41.54 1ujo h LEU 114 CO 0.10 -0.22 0.63 0.24 0.09 0.00 0.00 178.44 179.29 1ujo h MET 115 N 0.02 0.39 0.02 1.13 2.86 -1.16 0.54 114.93 118.73 1ujo h MET 115 Ca 0.35 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.92 1ujo h MET 115 Cb 0.54 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.12 1ujo h MET 115 CO -0.70 0.26 -0.21 0.00 1.06 0.00 0.00 176.91 177.32 1ujo h ALA 116 N 1.61 0.01 -0.52 6.32 0.00 0.11 -2.89 119.26 123.89 1ujo h ALA 116 Ca 0.52 -0.58 0.11 0.00 0.00 0.00 0.00 54.91 54.96 1ujo h ALA 116 Cb 1.32 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 19.08 1ujo h ALA 116 CO -0.22 0.11 -0.06 1.25 0.00 0.00 0.00 179.25 180.33 1ujo h LEU 117 N -0.91 -0.35 0.71 0.00 5.85 0.15 0.12 115.31 120.89 1ujo h LEU 117 Ca -0.04 0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 1ujo h LEU 117 Cb 1.12 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.41 1ujo h LEU 117 CO 0.01 -0.13 -0.49 1.23 -0.34 0.00 0.00 178.44 178.72 1ujo h GLY 118 N 0.06 -1.33 -0.62 3.75 0.00 -0.10 -2.57 103.07 102.27 1ujo h GLY 118 Ca 0.26 0.56 0.18 0.00 0.00 0.00 0.00 47.33 48.33 1ujo h GLY 118 CO -0.49 -0.43 -0.14 0.23 0.00 0.00 0.00 176.54 175.71 1ujo h SER 119 N -1.15 -0.66 -1.00 0.19 0.87 -1.19 1.40 113.55 112.01 1ujo h SER 119 Ca -0.09 0.24 0.23 0.00 -1.23 0.00 0.00 61.79 60.94 1ujo h SER 119 Cb 0.94 0.48 -0.12 0.00 -0.44 0.00 0.00 62.40 63.25 1ujo h SER 119 CO 0.06 -0.26 0.60 -0.07 -0.53 0.00 0.00 176.83 176.63 1ujo h LEU 120 N 0.02 0.71 -0.32 2.23 3.38 -0.66 0.86 115.31 121.53 1ujo h LEU 120 Ca 0.42 0.13 -0.19 0.00 0.09 0.00 0.00 57.88 58.32 1ujo h LEU 120 Cb 0.69 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1ujo h LEU 120 CO -0.82 0.15 -0.84 0.00 0.09 0.00 0.00 178.44 177.03 1ujo h ALA 121 N 1.71 0.54 -0.71 1.53 0.00 0.21 -3.07 119.26 119.47 1ujo h ALA 121 Ca 0.63 -0.68 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1ujo h ALA 121 Cb 1.14 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1ujo h ALA 121 CO -0.45 0.85 0.40 0.28 0.00 0.00 0.00 179.25 180.34 1ujo h VAL 122 N 0.16 1.20 -0.38 0.00 2.07 0.42 0.91 116.25 120.64 1ujo h VAL 122 Ca -0.04 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1ujo h VAL 122 Cb 1.44 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1ujo h VAL 122 CO 0.13 0.22 0.24 0.74 0.02 0.00 0.00 177.57 178.92 1ujo h THR 123 N 0.98 1.11 -0.07 2.57 2.02 -0.51 -2.95 112.91 116.06 1ujo h THR 123 Ca 0.25 -0.23 -0.10 0.00 0.77 0.00 0.00 66.41 67.10 1ujo h THR 123 Cb -0.01 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1ujo h THR 123 CO -0.04 0.11 -0.35 0.11 0.37 0.00 0.00 175.52 175.71 1ujo h LYS 124 N 0.50 0.36 0.00 6.66 1.57 -1.38 -3.46 116.57 120.82 1ujo h LYS 124 Ca 0.14 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1ujo h LYS 124 Cb -0.03 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1ujo h LYS 124 CO -0.03 0.94 0.00 -1.71 -0.57 0.00 0.00 179.45 178.08 1ujo n ASN 125 N -4.40 0.00 -3.35 0.86 2.85 0.31 -4.00 115.26 107.53 1ujo n ASN 125 Ca -0.08 0.00 -0.39 0.00 -0.11 0.00 0.00 54.58 53.99 1ujo n ASN 125 Cb 0.52 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.55 1ujo n ASN 125 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1ujo n ASP 126 N 1.83 7.46 0.13 1.20 9.92 -1.26 -3.77 116.55 132.06 1ujo n ASP 126 Ca 0.00 -3.57 0.00 0.00 -0.53 0.00 0.00 54.79 50.69 1ujo n ASP 126 Cb 0.00 -1.19 0.00 0.00 -0.64 0.00 0.00 41.12 39.29 1ujo n ASP 126 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ujo n GLY 127 N 0.29 -0.51 2.51 0.44 0.00 -1.26 -4.99 105.19 101.67 1ujo n GLY 127 Ca 0.52 0.05 -0.12 0.00 0.00 0.00 0.00 46.02 46.47 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 -3.31 0.72 -4.00 1.61 5.03 -1.26 -5.03 115.26 109.03 1ujo n ASN 128 Ca 0.00 -2.84 -0.09 0.00 0.87 0.00 0.00 54.58 52.52 1ujo n ASN 128 Cb 0.00 -0.28 -0.11 0.00 -1.02 0.00 0.00 39.78 38.38 1ujo n ASN 128 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1ujo s TYR 129 N -2.40 0.31 0.08 3.10 5.04 -1.25 -4.78 117.35 117.45 1ujo s TYR 129 Ca 0.31 -0.64 0.00 0.00 -2.44 0.00 0.00 57.07 54.30 1ujo s TYR 129 Cb 0.41 -0.23 0.00 0.00 0.35 0.00 0.00 41.96 42.49 1ujo s TYR 129 CO -0.02 -0.26 0.00 0.54 -1.34 0.00 0.00 175.55 174.47 1ujo n ARG 130 N 1.13 0.00 -0.01 4.97 5.12 -1.26 -4.91 116.66 121.71 1ujo n ARG 130 Ca -0.21 0.00 -0.00 0.00 -1.93 0.00 0.00 57.85 55.71 1ujo n ARG 130 Cb 0.57 -0.29 0.00 0.00 -1.16 0.00 0.00 32.46 31.59 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 2.48 -2.76 3.82 -0.13 0.00 -1.26 -5.00 105.19 102.34 1ujo n GLY 131 Ca 0.00 -1.40 -0.35 0.00 0.00 0.00 0.00 46.02 44.27 1ujo n GLY 131 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ujo s ASP 132 N -1.65 7.01 0.08 1.61 2.15 -1.26 -4.99 116.67 119.62 1ujo s ASP 132 Ca 0.01 1.41 -0.14 0.00 0.43 0.00 0.00 52.55 54.25 1ujo s ASP 132 Cb -0.00 -2.42 -0.20 0.00 -0.30 0.00 0.00 42.92 40.00 1ujo s ASP 132 CO 0.00 -0.02 1.23 1.55 -0.17 0.00 0.00 175.17 177.76 1ujo h PRO 133 N 3.15 0.73 -1.20 4.34 0.13 -1.95 -3.11 132.00 134.09 1ujo h PRO 133 Ca -0.48 -0.70 0.35 0.00 -0.87 0.00 0.00 66.00 64.30 1ujo h PRO 133 Cb 1.19 0.18 -0.05 0.00 0.13 0.00 0.00 31.00 32.45 1ujo h PRO 133 CO 0.65 1.29 1.06 -0.91 -0.23 0.00 0.00 178.00 179.87 1ujo h ASN 134 N 0.43 0.00 -0.05 1.44 2.35 -1.94 1.05 115.58 118.85 1ujo h ASN 134 Ca -0.10 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.66 1ujo h ASN 134 Cb 1.57 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.92 1ujo h ASN 134 CO 0.18 0.00 -0.15 -0.50 -1.65 0.00 0.00 177.43 175.31 1ujo h TRP 135 N 0.00 -0.46 0.14 1.19 6.55 -1.95 -3.24 115.95 118.17 1ujo h TRP 135 Ca 0.57 0.02 -0.35 0.00 0.95 0.00 0.00 58.89 60.08 1ujo h TRP 135 Cb 2.69 0.21 -0.01 0.00 -0.86 0.00 0.00 29.16 31.19 1ujo h TRP 135 CO 0.00 -0.15 -1.84 0.74 -1.05 0.00 0.00 178.44 176.14 1ujo h PHE 136 N -0.16 0.52 -3.12 0.49 0.04 -1.08 -3.48 116.94 110.16 1ujo h PHE 136 Ca 0.01 -0.38 -0.53 0.00 2.80 0.00 0.00 57.97 59.87 1ujo h PHE 136 Cb 0.19 -0.02 0.22 0.00 2.20 0.00 0.00 35.95 38.54 1ujo h PHE 136 CO -0.51 1.64 -0.83 -0.12 -0.60 0.00 0.00 178.31 177.89 1ujo n MET 137 N -3.48 -0.25 -2.76 1.51 1.56 0.34 -4.36 117.12 109.68 1ujo n MET 137 Ca -0.27 -0.04 -0.04 0.00 -0.27 0.00 0.00 57.70 57.09 1ujo n MET 137 Cb 1.06 -1.69 -0.03 0.00 2.15 0.00 0.00 33.22 34.71 1ujo n MET 137 CO 0.00 0.00 0.00 1.17 -0.73 0.00 0.00 175.97 176.41 1ujo n LYS 138 N -0.89 -3.53 -3.60 2.12 3.00 -1.26 -4.72 118.16 109.28 1ujo n LYS 138 Ca 0.05 2.76 -0.09 0.00 -0.00 0.00 0.00 58.31 61.03 1ujo n LYS 138 Cb 0.54 -3.91 -0.06 0.00 0.00 0.00 0.00 35.03 31.61 1ujo n LYS 138 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1ujo s SER 139 N -0.62 -0.35 0.16 3.14 1.04 -1.26 -5.04 113.70 110.77 1ujo s SER 139 Ca -0.18 0.46 0.08 0.00 0.48 0.00 0.00 55.95 56.79 1ujo s SER 139 Cb 0.01 0.40 -0.04 0.00 0.10 0.00 0.00 66.02 66.49 1ujo s SER 139 CO 0.57 -0.26 -0.09 -0.83 0.98 0.00 0.00 173.24 173.61 1ujo s GLY 140 N -0.77 1.74 -0.24 7.32 0.00 -1.26 -5.09 107.32 109.03 1ujo s GLY 140 Ca 0.00 -1.40 -0.29 0.00 0.00 0.00 0.00 44.72 43.04 1ujo s GLY 140 CO -0.01 -1.40 1.31 2.56 0.00 0.00 0.00 173.10 175.55 1ujo s PRO 141 N -2.65 4.04 -0.57 2.90 0.04 -1.26 -4.96 135.00 132.54 1ujo s PRO 141 Ca 0.24 1.46 -0.28 0.00 0.04 0.00 0.00 61.00 62.46 1ujo s PRO 141 Cb -0.09 -3.84 0.02 0.00 0.04 0.00 0.00 34.50 30.62 1ujo s PRO 141 CO 0.15 -0.96 1.27 -1.12 0.04 0.00 0.00 177.00 176.38 1ujo s SER 142 N 2.57 6.34 -0.03 6.66 0.01 -1.26 -4.97 113.70 123.02 1ujo s SER 142 Ca 0.57 0.19 -0.03 0.00 1.31 0.00 0.00 55.95 57.99 1ujo s SER 142 Cb -0.19 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.49 1ujo s SER 142 CO 0.20 -1.55 0.09 -0.44 0.41 0.00 0.00 173.24 171.95 1ujo s SER 143 N 3.45 -0.09 0.00 2.44 0.01 -1.26 -5.36 113.70 112.89 1ujo s SER 143 Ca 0.47 0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.91 1ujo s SER 143 Cb -0.09 0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.33 1ujo s SER 143 CO 0.26 -0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.48