#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u0s n LYS 3 N 0.00 1.01 -3.12 1.61 4.76 -1.26 -4.89 118.16 116.27 1u0s n LYS 3 Ca 0.00 -2.41 -0.40 0.00 -2.87 0.00 0.00 58.31 52.63 1u0s n LYS 3 Cb 0.00 -1.21 -0.06 0.00 -1.84 0.00 0.00 35.03 31.92 1u0s n LYS 3 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1u0s s ARG 4 N -2.19 4.26 -0.07 1.97 0.52 -1.26 -1.11 118.95 121.07 1u0s s ARG 4 Ca 0.28 0.66 0.03 0.00 -0.52 0.00 0.00 55.73 56.17 1u0s s ARG 4 Cb 0.26 -3.55 -0.02 0.00 0.52 0.00 0.00 34.95 32.16 1u0s s ARG 4 CO -0.02 -0.16 -0.15 0.08 0.02 0.00 0.00 175.30 175.07 1u0s s VAL 5 N 1.65 2.94 -0.29 3.52 1.01 0.12 -0.83 120.40 128.52 1u0s s VAL 5 Ca 0.30 -0.75 -0.11 0.00 0.00 0.00 0.00 61.98 61.42 1u0s s VAL 5 Cb -0.16 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 1u0s s VAL 5 CO 0.11 0.57 0.18 -0.22 0.00 0.00 0.00 175.10 175.74 1u0s s LEU 6 N -0.38 4.02 -0.27 3.92 0.20 0.14 -0.01 118.68 126.30 1u0s s LEU 6 Ca 0.04 -0.14 -0.12 0.00 0.69 0.00 0.00 54.13 54.60 1u0s s LEU 6 Cb -0.12 -2.09 -0.05 0.00 -0.43 0.00 0.00 46.19 43.50 1u0s s LEU 6 CO 0.02 -0.09 0.23 -0.63 -0.29 0.00 0.00 176.35 175.60 1u0s s ILE 7 N 1.72 5.28 -0.27 6.68 1.01 -0.54 -1.32 121.20 133.76 1u0s s ILE 7 Ca 0.07 0.28 -0.00 0.00 0.00 0.00 0.00 60.65 60.99 1u0s s ILE 7 Cb -0.16 -3.57 0.05 0.00 0.01 0.00 0.00 42.46 38.79 1u0s s ILE 7 CO 0.10 0.24 -0.05 -0.69 0.00 0.00 0.00 174.94 174.54 1u0s s VAL 8 N 1.72 2.72 -0.28 2.92 1.01 -0.30 -0.38 120.40 127.80 1u0s s VAL 8 Ca 0.09 -1.35 -0.20 0.00 0.00 0.00 0.00 61.98 60.52 1u0s s VAL 8 Cb -0.16 -2.52 0.11 0.00 0.00 0.00 0.00 36.38 33.82 1u0s s VAL 8 CO 0.10 0.01 0.88 -0.62 0.00 0.00 0.00 175.10 175.46 1u0s s ASP 9 N 1.23 -0.64 0.25 3.32 -1.08 -0.51 -2.06 116.67 117.18 1u0s s ASP 9 Ca -0.05 1.12 -0.06 0.00 -0.52 0.00 0.00 52.55 53.04 1u0s s ASP 9 Cb -0.19 1.20 0.27 0.00 -1.46 0.00 0.00 42.92 42.74 1u0s s ASP 9 CO -0.03 -0.18 1.92 -0.78 0.52 0.00 0.00 175.17 176.61 1u0s h ASP 10 N 5.56 1.12 -3.24 -0.34 1.82 -1.80 -3.38 116.42 116.15 1u0s h ASP 10 Ca -0.29 -0.02 -0.57 0.00 -0.39 0.00 0.00 57.03 55.75 1u0s h ASP 10 Cb 1.19 -0.28 -0.06 0.00 0.68 0.00 0.00 39.33 40.87 1u0s h ASP 10 CO 0.14 0.80 0.54 0.00 -1.61 0.00 0.00 179.24 179.10 1u0s s ALA 11 N -6.11 3.52 0.32 -0.78 0.00 -1.26 -4.94 121.76 112.51 1u0s s ALA 11 Ca -0.13 0.16 -0.00 0.00 0.00 0.00 0.00 51.96 51.99 1u0s s ALA 11 Cb 0.18 -3.36 0.51 0.00 0.00 0.00 0.00 23.12 20.44 1u0s s ALA 11 CO 0.82 -0.73 1.97 0.00 0.00 0.00 0.00 175.76 177.81 1u0s h ALA 12 N 7.30 1.44 -0.54 0.00 0.00 -2.00 -2.03 119.26 123.43 1u0s h ALA 12 Ca -0.27 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 1u0s h ALA 12 Cb 1.12 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1u0s h ALA 12 CO 0.87 0.50 -0.06 0.35 0.00 0.00 0.00 179.25 180.92 1u0s h PHE 13 N 1.00 1.06 -0.62 0.00 3.57 -1.97 -1.42 116.94 118.55 1u0s h PHE 13 Ca 0.26 -0.19 -0.08 0.00 3.53 0.00 0.00 57.97 61.49 1u0s h PHE 13 Cb -0.08 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.37 1u0s h PHE 13 CO 0.00 0.97 0.05 0.52 -2.23 0.00 0.00 178.31 177.63 1u0s h MET 14 N 0.88 1.05 -0.31 1.11 2.86 -1.83 -1.29 114.93 117.40 1u0s h MET 14 Ca 0.15 -0.30 -0.10 0.00 -2.06 0.00 0.00 59.70 57.39 1u0s h MET 14 Cb 0.59 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 1u0s h MET 14 CO 0.04 0.99 -0.22 0.00 1.06 0.00 0.00 176.91 178.77 1u0s h ARG 15 N 0.97 0.59 -0.55 1.72 3.08 -1.18 -2.40 114.38 116.61 1u0s h ARG 15 Ca 0.18 -0.22 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 1u0s h ARG 15 Cb 0.48 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 1u0s h ARG 15 CO 0.02 0.78 0.17 1.98 -1.07 0.00 0.00 179.97 181.85 1u0s h MET 16 N 0.53 0.85 -0.43 0.04 4.05 -0.71 0.10 114.93 119.36 1u0s h MET 16 Ca 0.08 -0.18 -0.07 0.00 -0.28 0.00 0.00 59.70 59.25 1u0s h MET 16 Cb 0.67 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 31.33 1u0s h MET 16 CO 0.05 0.77 -0.02 1.98 0.23 0.00 0.00 176.91 179.92 1u0s h MET 17 N 0.76 0.72 -0.24 0.39 4.05 -1.08 -1.73 114.93 117.80 1u0s h MET 17 Ca 0.18 -0.19 -0.19 0.00 -0.28 0.00 0.00 59.70 59.22 1u0s h MET 17 Cb 0.28 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 30.99 1u0s h MET 17 CO -0.01 0.75 -0.60 1.25 0.23 0.00 0.00 176.91 178.54 1u0s h LEU 18 N 0.67 0.89 -0.84 3.39 5.85 -1.06 -2.53 115.31 121.68 1u0s h LEU 18 Ca 0.13 -0.50 -0.03 0.00 0.84 0.00 0.00 57.88 58.32 1u0s h LEU 18 Cb 0.45 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 1u0s h LEU 18 CO 0.02 1.28 0.41 0.11 -0.34 0.00 0.00 178.44 179.92 1u0s h LYS 19 N 0.59 1.20 -0.07 1.25 1.57 -0.56 0.21 116.57 120.77 1u0s h LYS 19 Ca -0.00 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1u0s h LYS 19 Cb 1.20 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 33.28 1u0s h LYS 19 CO 0.13 0.92 0.03 0.22 -0.57 0.00 0.00 179.45 180.18 1u0s h ASP 20 N 1.19 0.09 -0.30 0.86 3.58 -1.23 -1.12 116.42 119.49 1u0s h ASP 20 Ca 0.29 -0.10 -0.00 0.00 0.42 0.00 0.00 57.03 57.63 1u0s h ASP 20 Cb 0.11 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 1u0s h ASP 20 CO -0.04 0.16 0.17 0.40 -2.88 0.00 0.00 179.24 177.05 1u0s h ILE 21 N 0.00 1.12 -0.46 2.25 2.04 -1.19 -1.85 117.51 119.44 1u0s h ILE 21 Ca 0.02 -0.31 0.04 0.00 1.00 0.00 0.00 64.86 65.61 1u0s h ILE 21 Cb 0.10 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 1u0s h ILE 21 CO -0.00 0.12 0.21 0.40 0.00 0.00 0.00 178.15 178.88 1u0s h ILE 22 N 0.37 0.93 -0.08 -0.67 2.04 -0.84 -0.97 117.51 118.29 1u0s h ILE 22 Ca 0.10 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 1u0s h ILE 22 Cb 0.05 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1u0s h ILE 22 CO -0.02 0.08 0.02 0.74 0.00 0.00 0.00 178.15 178.97 1u0s h THR 23 N 0.42 1.17 0.00 -0.27 2.02 -1.03 -0.32 112.91 114.90 1u0s h THR 23 Ca 0.20 -0.52 -0.03 0.00 0.77 0.00 0.00 66.41 66.83 1u0s h THR 23 Cb 0.14 1.38 -0.00 0.00 -1.74 0.00 0.00 68.15 67.92 1u0s h THR 23 CO -0.16 0.15 -0.12 0.11 0.37 0.00 0.00 175.52 175.86 1u0s h LYS 24 N -0.06 0.00 -0.11 6.66 1.57 -1.15 -2.40 116.57 121.07 1u0s h LYS 24 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1u0s h LYS 24 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1u0s h LYS 24 CO -0.00 0.12 0.00 0.00 -0.57 0.00 0.00 179.45 179.00 1u0s n ALA 25 N -2.38 2.55 -0.68 3.86 0.00 -0.38 -4.92 120.51 118.56 1u0s n ALA 25 Ca -0.02 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1u0s n ALA 25 Cb 0.21 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1u0s n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u0s n GLY 26 N 1.03 0.73 4.02 0.00 0.00 -0.90 -5.05 105.19 105.01 1u0s n GLY 26 Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 1u0s n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1u0s s TYR 27 N -2.52 2.07 0.07 1.61 1.51 -0.15 -5.00 117.35 114.94 1u0s s TYR 27 Ca 0.00 -0.51 0.04 0.00 -1.01 0.00 0.00 57.07 55.59 1u0s s TYR 27 Cb 0.00 -2.38 -0.03 0.00 -0.11 0.00 0.00 41.96 39.44 1u0s s TYR 27 CO 0.00 -0.90 -0.11 -2.00 -1.11 0.00 0.00 175.55 171.44 1u0s s GLU 28 N -4.59 0.74 -0.46 -0.62 2.12 -0.27 -4.04 118.70 111.58 1u0s s GLU 28 Ca 0.59 -0.97 -0.26 0.00 0.36 0.00 0.00 54.97 54.69 1u0s s GLU 28 Cb -0.08 -0.57 0.03 0.00 0.26 0.00 0.00 34.13 33.77 1u0s s GLU 28 CO 0.37 0.11 0.97 0.08 -0.54 0.00 0.00 175.26 176.25 1u0s s VAL 29 N -1.71 4.42 0.15 3.70 1.01 -1.26 -0.70 120.40 125.99 1u0s s VAL 29 Ca -0.02 0.87 -0.07 0.00 0.00 0.00 0.00 61.98 62.76 1u0s s VAL 29 Cb -0.07 -4.47 -0.11 0.00 0.00 0.00 0.00 36.38 31.72 1u0s s VAL 29 CO 0.01 -0.86 1.40 0.00 0.00 0.00 0.00 175.10 175.64 1u0s h ALA 30 N 9.09 0.49 0.00 5.51 0.00 -0.75 -3.46 119.26 130.15 1u0s h ALA 30 Ca -0.24 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1u0s h ALA 30 Cb 1.07 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1u0s h ALA 30 CO 1.05 0.71 0.00 0.41 0.00 0.00 0.00 179.25 181.42 1u0s n GLY 31 N 0.53 -1.56 3.18 0.00 0.00 -1.17 -4.99 105.19 101.17 1u0s n GLY 31 Ca -0.05 -1.07 -0.09 0.00 0.00 0.00 0.00 46.02 44.80 1u0s n GLY 31 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1u0s s GLU 32 N -1.35 0.75 0.03 1.61 -1.05 -1.26 -1.47 118.70 115.95 1u0s s GLU 32 Ca 0.00 -0.83 0.01 0.00 -0.15 0.00 0.00 54.97 54.00 1u0s s GLU 32 Cb 0.00 0.30 -0.02 0.00 -0.44 0.00 0.00 34.13 33.97 1u0s s GLU 32 CO 0.00 -0.22 -0.05 0.00 0.95 0.00 0.00 175.26 175.94 1u0s s ALA 33 N -3.25 0.35 -0.71 -0.84 0.00 0.49 -4.92 121.76 112.87 1u0s s ALA 33 Ca 0.00 -0.65 0.21 0.00 0.00 0.00 0.00 51.96 51.52 1u0s s ALA 33 Cb 0.02 0.09 -0.25 0.00 0.00 0.00 0.00 23.12 22.98 1u0s s ALA 33 CO -0.08 -0.08 0.76 0.25 0.00 0.00 0.00 175.76 176.61 1u0s n THR 34 N 1.61 0.00 -4.07 0.00 -2.24 -1.26 -1.42 114.28 106.89 1u0s n THR 34 Ca -0.23 -0.15 -0.10 0.00 -2.27 0.00 0.00 64.05 61.31 1u0s n THR 34 Cb 0.55 0.73 -0.07 0.00 -2.10 0.00 0.00 70.33 69.44 1u0s n THR 34 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1u0s s ASN 35 N -3.35 0.00 0.31 3.42 2.20 -1.26 -3.32 114.94 112.93 1u0s s ASN 35 Ca 0.03 -1.10 0.04 0.00 -0.94 0.00 0.00 52.86 50.90 1u0s s ASN 35 Cb 0.15 0.50 0.50 0.00 -2.00 0.00 0.00 41.25 40.40 1u0s s ASN 35 CO 0.85 -1.02 1.76 1.23 -2.94 0.00 0.00 177.10 176.99 1u0s h GLY 36 N 2.40 0.44 0.83 0.45 0.00 -1.88 -1.01 103.07 104.29 1u0s h GLY 36 Ca -0.30 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 46.67 1u0s h GLY 36 CO 0.42 0.31 0.03 -0.09 0.00 0.00 0.00 176.54 177.22 1u0s h ARG 37 N 0.37 0.26 -0.10 4.80 2.43 -1.95 -2.39 114.38 117.79 1u0s h ARG 37 Ca 0.06 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.09 1u0s h ARG 37 Cb 0.61 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 1u0s h ARG 37 CO 0.04 0.42 -0.27 1.49 -1.51 0.00 0.00 179.97 180.15 1u0s h GLU 38 N 0.05 0.18 -0.18 0.20 4.81 -1.96 -2.81 114.58 114.88 1u0s h GLU 38 Ca 0.05 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1u0s h GLU 38 Cb 0.28 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1u0s h GLU 38 CO 0.00 0.45 0.11 0.00 -0.73 0.00 0.00 179.01 178.84 1u0s h ALA 39 N 1.56 0.22 -0.73 2.92 0.00 -0.85 0.22 119.26 122.60 1u0s h ALA 39 Ca 0.03 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1u0s h ALA 39 Cb 0.57 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1u0s h ALA 39 CO 0.04 -0.28 0.34 0.28 0.00 0.00 0.00 179.25 179.63 1u0s h VAL 40 N 0.22 1.23 -0.29 0.00 2.07 -1.29 0.89 116.25 119.10 1u0s h VAL 40 Ca 0.06 -0.67 -0.06 0.00 0.82 0.00 0.00 66.70 66.85 1u0s h VAL 40 Cb -0.00 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 1u0s h VAL 40 CO -0.01 0.28 -0.07 -0.33 0.02 0.00 0.00 177.57 177.45 1u0s h GLU 41 N 1.04 0.56 -0.06 1.57 5.08 -1.23 -2.72 114.58 118.81 1u0s h GLU 41 Ca 0.25 -0.21 -0.08 0.00 -1.00 0.00 0.00 59.36 58.32 1u0s h GLU 41 Cb 0.12 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1u0s h GLU 41 CO -0.03 0.76 -0.33 0.87 -1.00 0.00 0.00 179.01 179.28 1u0s h LYS 42 N 0.32 0.12 -0.44 2.33 1.79 -0.64 -2.32 116.57 117.72 1u0s h LYS 42 Ca 0.07 -0.04 -0.04 0.00 -2.18 0.00 0.00 60.65 58.46 1u0s h LYS 42 Cb 0.56 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.18 1u0s h LYS 42 CO 0.03 0.44 0.13 -0.92 -1.08 0.00 0.00 179.45 178.05 1u0s h TYR 43 N 0.10 0.72 -0.35 -1.35 5.03 -0.67 0.19 116.97 120.64 1u0s h TYR 43 Ca 0.01 -0.08 -0.04 0.00 2.58 0.00 0.00 58.73 61.21 1u0s h TYR 43 Cb 0.64 -0.21 -0.01 0.00 1.55 0.00 0.00 36.73 38.70 1u0s h TYR 43 CO 0.01 0.65 0.06 0.87 -1.32 0.00 0.00 178.16 178.42 1u0s h LYS 44 N 0.57 0.57 0.07 1.82 1.57 -1.25 -1.34 116.57 118.58 1u0s h LYS 44 Ca 0.14 -0.15 -0.27 0.00 -1.87 0.00 0.00 60.65 58.50 1u0s h LYS 44 Cb 0.28 -0.07 0.02 0.00 0.08 0.00 0.00 32.23 32.54 1u0s h LYS 44 CO -0.00 0.65 -1.13 1.49 -0.57 0.00 0.00 179.45 179.89 1u0s h GLU 45 N 0.41 0.52 0.00 3.15 4.57 -1.32 -3.36 114.58 118.55 1u0s h GLU 45 Ca 0.11 -0.65 -0.14 0.00 -1.18 0.00 0.00 59.36 57.50 1u0s h GLU 45 Cb 0.35 0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 29.12 1u0s h GLU 45 CO 0.01 1.26 -1.24 -0.07 -1.18 0.00 0.00 179.01 177.79 1u0s h LEU 46 N 0.25 0.00 -2.91 1.64 3.38 -0.71 -3.49 115.31 113.47 1u0s h LEU 46 Ca -0.14 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.40 1u0s h LEU 46 Cb 1.79 0.00 0.07 0.00 0.09 0.00 0.00 40.66 42.61 1u0s h LEU 46 CO 0.21 0.51 -0.92 0.29 0.09 0.00 0.00 178.44 178.62 1u0s n LYS 47 N -2.92 -1.80 -1.57 1.13 5.02 -0.50 -4.94 118.16 112.58 1u0s n LYS 47 Ca -0.07 0.48 -0.31 0.00 -2.02 0.00 0.00 58.31 56.38 1u0s n LYS 47 Cb 0.80 -4.31 0.05 0.00 -0.02 0.00 0.00 35.03 31.55 1u0s n LYS 47 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1u0s s PRO 48 N -6.00 2.87 0.04 1.97 0.04 -1.26 -4.97 135.00 127.68 1u0s s PRO 48 Ca 0.38 1.02 0.02 0.00 0.04 0.00 0.00 61.00 62.45 1u0s s PRO 48 Cb -0.13 -1.98 -0.25 0.00 0.04 0.00 0.00 34.50 32.18 1u0s s PRO 48 CO 0.86 -1.16 0.97 -0.44 0.04 0.00 0.00 177.00 177.27 1u0s h ASP 49 N -0.66 0.24 -4.64 6.66 3.32 -1.33 -3.47 116.42 116.54 1u0s h ASP 49 Ca -0.44 -0.31 -0.26 0.00 0.02 0.00 0.00 57.03 56.04 1u0s h ASP 49 Cb 1.21 -0.08 -0.22 0.00 0.22 0.00 0.00 39.33 40.46 1u0s h ASP 49 CO 0.56 1.26 -0.73 -0.63 -1.72 0.00 0.00 179.24 177.98 1u0s s ILE 50 N -2.64 0.42 -0.04 0.35 1.01 -0.74 -4.16 121.20 115.39 1u0s s ILE 50 Ca -0.05 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 59.75 1u0s s ILE 50 Cb 0.08 -0.48 0.00 0.00 0.01 0.00 0.00 42.46 42.07 1u0s s ILE 50 CO 0.84 -0.32 -0.13 -0.69 0.00 0.00 0.00 174.94 174.64 1u0s s VAL 51 N -1.16 1.16 -0.21 2.92 1.01 -0.19 -0.68 120.40 123.26 1u0s s VAL 51 Ca -0.09 -0.55 -0.06 0.00 0.00 0.00 0.00 61.98 61.28 1u0s s VAL 51 Cb -0.08 -1.02 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 1u0s s VAL 51 CO 0.00 0.35 0.02 0.42 0.00 0.00 0.00 175.10 175.89 1u0s s THR 52 N 0.24 4.17 -0.24 3.92 -4.23 -0.43 -0.21 115.64 118.87 1u0s s THR 52 Ca -0.06 -0.24 0.02 0.00 -1.18 0.00 0.00 61.69 60.23 1u0s s THR 52 Cb -0.12 -2.90 0.05 0.00 1.34 0.00 0.00 72.50 70.88 1u0s s THR 52 CO 0.02 0.42 -0.12 -0.32 -0.54 0.00 0.00 174.62 174.07 1u0s s MET 53 N 1.00 2.32 0.10 3.99 0.00 0.05 -1.15 119.30 125.61 1u0s s MET 53 Ca 0.02 -1.16 -0.31 0.00 0.00 0.00 0.00 55.69 54.25 1u0s s MET 53 Cb -0.14 -2.75 -0.07 0.00 0.00 0.00 0.00 34.83 31.87 1u0s s MET 53 CO 0.02 -0.48 1.23 0.34 0.00 0.00 0.00 175.02 176.12 1u0s s ASP 54 N 1.19 7.05 -0.05 1.11 2.15 -0.87 -0.39 116.67 126.85 1u0s s ASP 54 Ca -0.05 2.12 0.07 0.00 0.43 0.00 0.00 52.55 55.12 1u0s s ASP 54 Cb -0.18 -2.59 0.11 0.00 -0.30 0.00 0.00 42.92 39.96 1u0s s ASP 54 CO -0.07 -0.47 0.99 2.30 -0.17 0.00 0.00 175.17 177.75 1u0s n ILE 55 N 3.57 0.90 0.24 4.11 -5.35 -0.33 -4.47 119.36 118.03 1u0s n ILE 55 Ca 0.08 -1.05 0.10 0.00 -0.27 0.00 0.00 62.75 61.60 1u0s n ILE 55 Cb 0.45 0.28 0.61 0.00 -1.74 0.00 0.00 39.64 39.25 1u0s n ILE 55 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 1u0s h THR 56 N 2.52 0.78 -3.52 7.28 1.35 -1.91 -3.37 112.91 116.04 1u0s h THR 56 Ca 0.00 -0.68 -0.70 0.00 -0.55 0.00 0.00 66.41 64.48 1u0s h THR 56 Cb 1.03 1.41 -0.33 0.00 -1.73 0.00 0.00 68.15 68.53 1u0s h THR 56 CO 0.00 0.17 -0.55 -0.04 -0.25 0.00 0.00 175.52 174.85 1u0s s MET 57 N -4.26 2.18 0.38 4.72 -1.94 -1.26 -4.96 119.30 114.15 1u0s s MET 57 Ca -0.03 -1.68 0.11 0.00 -1.71 0.00 0.00 55.69 52.38 1u0s s MET 57 Cb 0.14 -3.56 0.88 0.00 2.01 0.00 0.00 34.83 34.30 1u0s s MET 57 CO 0.63 -0.99 1.90 -1.00 -0.01 0.00 0.00 175.02 175.55 1u0s h PRO 58 N 8.11 0.59 0.00 2.03 0.13 -1.98 -0.37 132.00 140.50 1u0s h PRO 58 Ca -0.16 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.92 1u0s h PRO 58 Cb 1.06 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.05 1u0s h PRO 58 CO 0.69 0.39 -0.05 1.05 -0.23 0.00 0.00 178.00 179.85 1u0s h GLU 59 N 0.61 0.00 0.00 0.86 4.11 -1.95 -1.32 114.58 116.88 1u0s h GLU 59 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.84 1u0s h GLU 59 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1u0s h GLU 59 CO -0.16 0.05 0.00 0.52 0.07 0.00 0.00 179.01 179.49 1u0s h MET 60 N 0.00 0.00 -5.77 1.06 2.86 -1.48 -3.48 114.93 108.12 1u0s h MET 60 Ca -0.00 0.00 -0.37 0.00 -2.06 0.00 0.00 59.70 57.27 1u0s h MET 60 Cb 0.13 0.00 0.15 0.00 0.06 0.00 0.00 31.60 31.94 1u0s h MET 60 CO 0.01 0.00 -0.73 -1.71 1.06 0.00 0.00 176.91 175.54 1u0s n ASN 61 N -2.53 -4.06 0.23 1.22 5.15 -0.50 -4.47 115.26 110.30 1u0s n ASN 61 Ca 0.03 -0.60 0.06 0.00 -0.60 0.00 0.00 54.58 53.48 1u0s n ASN 61 Cb 0.34 -5.02 0.54 0.00 -0.53 0.00 0.00 39.78 35.12 1u0s n ASN 61 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1u0s h GLY 62 N -2.27 0.01 1.02 8.20 0.00 -1.81 -2.58 103.07 105.64 1u0s h GLY 62 Ca -0.58 -0.01 -0.03 0.00 0.00 0.00 0.00 47.33 46.71 1u0s h GLY 62 CO 0.53 0.01 0.37 1.19 0.00 0.00 0.00 176.54 178.64 1u0s h ILE 63 N 0.01 1.25 -0.42 2.60 6.09 -1.90 -1.85 117.51 123.28 1u0s h ILE 63 Ca 0.00 -0.69 -0.09 0.00 -1.37 0.00 0.00 64.86 62.72 1u0s h ILE 63 Cb 0.22 0.27 -0.02 0.00 0.47 0.00 0.00 36.82 37.77 1u0s h ILE 63 CO 0.02 0.29 -0.10 -0.78 -3.07 0.00 0.00 178.15 174.51 1u0s h ASP 64 N 1.09 0.74 0.02 2.19 3.58 -1.85 -2.30 116.42 119.88 1u0s h ASP 64 Ca 0.27 -0.21 -0.07 0.00 0.42 0.00 0.00 57.03 57.43 1u0s h ASP 64 Cb 0.12 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 1u0s h ASP 64 CO -0.03 0.87 -0.18 0.00 -2.88 0.00 0.00 179.24 177.01 1u0s h ALA 65 N 1.20 1.35 -0.06 -0.78 0.00 -1.37 -0.79 119.26 118.81 1u0s h ALA 65 Ca 0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1u0s h ALA 65 Cb 0.57 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1u0s h ALA 65 CO 0.03 0.44 0.01 0.82 0.00 0.00 0.00 179.25 180.56 1u0s h ILE 66 N 0.29 1.19 -0.92 0.00 2.04 -0.81 -0.29 117.51 119.01 1u0s h ILE 66 Ca 0.05 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 1u0s h ILE 66 Cb 0.50 1.46 -0.04 0.00 -0.74 0.00 0.00 36.82 38.00 1u0s h ILE 66 CO 0.03 0.16 0.53 0.11 0.00 0.00 0.00 178.15 178.98 1u0s h LYS 67 N -0.12 1.27 -0.51 2.37 1.57 -1.15 0.65 116.57 120.66 1u0s h LYS 67 Ca 0.02 -0.13 -0.08 0.00 -1.87 0.00 0.00 60.65 58.59 1u0s h LYS 67 Cb 0.24 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1u0s h LYS 67 CO 0.00 0.91 0.01 0.93 -0.57 0.00 0.00 179.45 180.73 1u0s h GLU 68 N 1.28 0.89 -0.50 3.15 4.39 -1.01 -1.66 114.58 121.12 1u0s h GLU 68 Ca 0.33 -0.28 -0.10 0.00 0.34 0.00 0.00 59.36 59.65 1u0s h GLU 68 Cb -0.01 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.54 1u0s h GLU 68 CO -0.06 0.91 -0.07 0.82 -1.16 0.00 0.00 179.01 179.45 1u0s h ILE 69 N 0.75 1.26 -0.26 3.13 2.04 -0.54 -2.04 117.51 121.85 1u0s h ILE 69 Ca 0.14 -1.17 -0.04 0.00 1.00 0.00 0.00 64.86 64.79 1u0s h ILE 69 Cb 0.50 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1u0s h ILE 69 CO 0.02 0.41 -0.01 0.24 0.00 0.00 0.00 178.15 178.81 1u0s h MET 70 N 0.82 0.39 -0.35 2.37 2.86 -0.67 0.76 114.93 121.11 1u0s h MET 70 Ca 0.14 -0.07 -0.12 0.00 -2.06 0.00 0.00 59.70 57.59 1u0s h MET 70 Cb 0.59 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 1u0s h MET 70 CO 0.04 0.43 -0.25 0.87 1.06 0.00 0.00 176.91 179.06 1u0s h LYS 71 N 0.38 0.78 -0.59 1.72 1.57 -0.86 -2.34 116.57 117.23 1u0s h LYS 71 Ca 0.09 -0.38 -0.08 0.00 -1.87 0.00 0.00 60.65 58.41 1u0s h LYS 71 Cb 0.28 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1u0s h LYS 71 CO 0.01 1.00 0.05 0.82 -0.57 0.00 0.00 179.45 180.76 1u0s h ILE 72 N 0.56 1.26 -2.37 1.86 2.04 -0.81 -3.41 117.51 116.64 1u0s h ILE 72 Ca 0.07 -1.07 -0.35 0.00 1.00 0.00 0.00 64.86 64.51 1u0s h ILE 72 Cb 0.81 0.79 -0.35 0.00 -0.74 0.00 0.00 36.82 37.33 1u0s h ILE 72 CO 0.07 0.39 -0.65 -0.62 0.00 0.00 0.00 178.15 177.34 1u0s s ASP 73 N -6.45 1.76 0.24 1.72 2.15 0.21 -5.00 116.67 111.30 1u0s s ASP 73 Ca -0.12 -0.59 0.20 0.00 0.43 0.00 0.00 52.55 52.47 1u0s s ASP 73 Cb 0.13 0.36 0.95 0.00 -0.30 0.00 0.00 42.92 44.07 1u0s s ASP 73 CO 0.84 -0.37 1.62 -0.81 -0.17 0.00 0.00 175.17 176.28 1u0s n PRO 74 N 5.31 0.14 -0.50 4.34 -0.04 -0.89 -1.82 135.00 141.54 1u0s n PRO 74 Ca -0.04 0.50 0.10 0.00 -0.04 0.00 0.00 63.50 64.02 1u0s n PRO 74 Cb 0.47 -1.85 0.32 0.00 -0.04 0.00 0.00 33.50 32.40 1u0s n PRO 74 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1u0s n ASN 75 N -2.13 4.33 -4.75 3.54 4.13 -1.26 -5.00 115.26 114.12 1u0s n ASN 75 Ca 0.01 -2.33 -0.38 0.00 1.68 0.00 0.00 54.58 53.56 1u0s n ASN 75 Cb 0.13 -0.52 0.04 0.00 -1.54 0.00 0.00 39.78 37.89 1u0s n ASN 75 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1u0s s ALA 76 N -1.61 2.82 -0.37 5.41 0.00 -0.76 -4.98 121.76 122.27 1u0s s ALA 76 Ca 0.47 1.36 -0.01 0.00 0.00 0.00 0.00 51.96 53.78 1u0s s ALA 76 Cb 0.29 -3.58 0.09 0.00 0.00 0.00 0.00 23.12 19.93 1u0s s ALA 76 CO 0.25 -1.41 0.13 0.15 0.00 0.00 0.00 175.76 174.88 1u0s s LYS 77 N -2.91 2.00 -0.14 0.00 1.02 -1.26 -4.91 119.74 113.54 1u0s s LYS 77 Ca 0.72 -1.71 -0.02 0.00 0.02 0.00 0.00 55.97 54.98 1u0s s LYS 77 Cb -0.41 -3.42 -0.02 0.00 -0.52 0.00 0.00 37.83 33.46 1u0s s LYS 77 CO 0.49 -0.95 -0.09 0.42 -0.92 0.00 0.00 175.35 174.30 1u0s s ILE 78 N 1.12 3.39 -0.23 2.17 1.01 -1.26 -1.02 121.20 126.38 1u0s s ILE 78 Ca 0.06 -0.54 -0.05 0.00 0.00 0.00 0.00 60.65 60.12 1u0s s ILE 78 Cb -0.21 -2.45 -0.02 0.00 0.01 0.00 0.00 42.46 39.78 1u0s s ILE 78 CO -0.04 0.51 0.01 -0.63 0.00 0.00 0.00 174.94 174.78 1u0s s ILE 79 N 0.41 3.85 0.18 2.92 1.01 0.71 -0.90 121.20 129.39 1u0s s ILE 79 Ca -0.07 -0.33 -0.25 0.00 0.00 0.00 0.00 60.65 59.99 1u0s s ILE 79 Cb -0.15 -2.77 -0.08 0.00 0.01 0.00 0.00 42.46 39.47 1u0s s ILE 79 CO 0.04 0.39 0.78 -0.69 0.00 0.00 0.00 174.94 175.46 1u0s s VAL 80 N 1.42 4.38 -0.28 2.92 1.01 -0.02 -0.77 120.40 129.06 1u0s s VAL 80 Ca 0.05 1.66 -0.06 0.00 0.00 0.00 0.00 61.98 63.63 1u0s s VAL 80 Cb -0.15 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.13 1u0s s VAL 80 CO 0.00 0.47 0.06 0.00 0.00 0.00 0.00 175.10 175.63 1u0s n SER 82 N 4.86 2.08 -4.50 0.00 3.41 -0.38 -1.19 113.62 117.91 1u0s n SER 82 Ca -0.15 -2.24 -0.23 0.00 -0.26 0.00 0.00 58.87 55.98 1u0s n SER 82 Cb 0.49 0.36 -0.11 0.00 -0.26 0.00 0.00 64.21 64.69 1u0s n SER 82 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u0s s ALA 83 N -2.55 2.60 0.51 7.33 0.00 -1.26 -0.33 121.76 128.06 1u0s s ALA 83 Ca 0.05 -2.11 -0.23 0.00 0.00 0.00 0.00 51.96 49.67 1u0s s ALA 83 Cb 0.00 0.42 -0.06 0.00 0.00 0.00 0.00 23.12 23.48 1u0s s ALA 83 CO 0.03 -0.20 1.39 -1.64 0.00 0.00 0.00 175.76 175.34 1u0s s MET 84 N -3.80 3.34 0.00 0.00 -1.94 -1.26 -2.55 119.30 113.09 1u0s s MET 84 Ca 0.35 2.32 0.00 0.00 -1.71 0.00 0.00 55.69 56.64 1u0s s MET 84 Cb 0.08 -2.41 0.00 0.00 2.01 0.00 0.00 34.83 34.51 1u0s s MET 84 CO 0.16 -1.06 0.00 0.41 -0.01 0.00 0.00 175.02 174.52 1u0s n GLY 85 N 0.67 0.87 2.09 -0.03 0.00 -1.26 -4.93 105.19 102.60 1u0s n GLY 85 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 1u0s n GLY 85 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1u0s n GLN 86 N -2.17 2.23 -0.23 1.61 6.02 -1.06 -4.68 117.38 119.11 1u0s n GLN 86 Ca 0.00 -3.07 0.05 0.00 -0.01 0.00 0.00 57.00 53.97 1u0s n GLN 86 Cb 0.00 -2.14 0.30 0.00 1.02 0.00 0.00 30.24 29.42 1u0s n GLN 86 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 177.06 175.49 1u0s h GLN 87 N 1.08 0.86 -0.40 -1.09 -0.00 -1.91 -1.51 115.11 112.14 1u0s h GLN 87 Ca 0.58 -0.05 -0.04 0.00 -0.00 0.00 0.00 58.65 59.14 1u0s h GLN 87 Cb 2.56 -0.19 -0.02 0.00 -0.00 0.00 0.00 27.48 29.83 1u0s h GLN 87 CO 1.04 0.57 0.11 0.00 -0.00 0.00 0.00 178.83 180.55 1u0s h ALA 88 N 1.56 0.53 -0.59 0.06 0.00 -2.00 -0.87 119.26 117.95 1u0s h ALA 88 Ca 0.34 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1u0s h ALA 88 Cb 0.19 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1u0s h ALA 88 CO -0.11 0.19 0.07 0.52 0.00 0.00 0.00 179.25 179.92 1u0s h MET 89 N 0.51 1.00 -0.11 0.00 2.86 -1.82 -1.42 114.93 115.94 1u0s h MET 89 Ca 0.13 -0.28 -0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1u0s h MET 89 Cb 0.29 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 1u0s h MET 89 CO -0.00 0.95 0.06 0.28 1.06 0.00 0.00 176.91 179.26 1u0s h VAL 90 N 0.90 1.11 -0.98 -2.22 2.07 -1.11 1.00 116.25 117.02 1u0s h VAL 90 Ca 0.18 -0.32 0.05 0.00 0.82 0.00 0.00 66.70 67.42 1u0s h VAL 90 Cb 0.45 1.12 -0.06 0.00 -1.52 0.00 0.00 31.29 31.28 1u0s h VAL 90 CO 0.02 0.10 0.64 0.40 0.02 0.00 0.00 177.57 178.74 1u0s h ILE 91 N 0.06 1.13 -0.72 4.57 2.04 -1.03 0.13 117.51 123.69 1u0s h ILE 91 Ca 0.04 -0.41 -0.07 0.00 1.00 0.00 0.00 64.86 65.42 1u0s h ILE 91 Cb 0.11 -0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 35.99 1u0s h ILE 91 CO -0.01 0.22 0.19 -0.08 0.00 0.00 0.00 178.15 178.47 1u0s h GLU 92 N 1.20 1.14 -0.50 2.37 4.81 -0.85 -1.61 114.58 121.14 1u0s h GLU 92 Ca 0.41 -0.26 -0.11 0.00 -0.13 0.00 0.00 59.36 59.26 1u0s h GLU 92 Cb 0.08 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 1u0s h GLU 92 CO -0.15 0.99 -0.12 0.00 -0.73 0.00 0.00 179.01 179.01 1u0s h ALA 93 N 1.11 0.84 -0.64 2.92 0.00 0.59 -2.06 119.26 122.02 1u0s h ALA 93 Ca 0.23 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1u0s h ALA 93 Cb 0.35 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1u0s h ALA 93 CO -0.00 0.65 0.20 0.82 0.00 0.00 0.00 179.25 180.92 1u0s h ILE 94 N 0.84 1.25 0.00 0.00 2.04 -0.74 -1.48 117.51 119.42 1u0s h ILE 94 Ca 0.13 -0.86 -0.06 0.00 1.00 0.00 0.00 64.86 65.07 1u0s h ILE 94 Cb 0.66 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 1u0s h ILE 94 CO 0.05 0.33 -0.27 0.11 0.00 0.00 0.00 178.15 178.36 1u0s h LYS 95 N 0.93 0.00 0.00 2.37 1.57 -1.10 -1.46 116.57 118.88 1u0s h LYS 95 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1u0s h LYS 95 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1u0s h LYS 95 CO -0.01 0.27 0.00 0.00 -0.57 0.00 0.00 179.45 179.15 1u0s n ALA 96 N -2.48 2.08 0.00 3.86 0.00 -0.79 -4.88 120.51 118.30 1u0s n ALA 96 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1u0s n ALA 96 Cb 0.32 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.39 1u0s n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u0s n GLY 97 N 0.93 1.34 3.77 0.00 0.00 -0.55 -4.62 105.19 106.06 1u0s n GLY 97 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 1u0s n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u0s n ALA 98 N 0.00 2.09 -0.01 4.61 0.00 -0.62 -4.74 120.51 121.85 1u0s n ALA 98 Ca 0.00 0.25 -0.10 0.00 0.00 0.00 0.00 53.44 53.59 1u0s n ALA 98 Cb 0.00 -2.40 -0.14 0.00 0.00 0.00 0.00 19.45 16.91 1u0s n ALA 98 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1u0s h LYS 99 N 2.31 0.03 -3.00 0.00 1.79 -1.34 -3.40 116.57 112.97 1u0s h LYS 99 Ca -0.51 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 57.89 1u0s h LYS 99 Cb 1.27 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 1u0s h LYS 99 CO 0.61 0.60 0.27 0.34 -1.08 0.00 0.00 179.45 180.20 1u0s s ASP 100 N -6.24 -0.00 0.04 0.86 2.15 -1.20 -5.06 116.67 107.21 1u0s s ASP 100 Ca -0.06 -1.13 -0.11 0.00 0.43 0.00 0.00 52.55 51.68 1u0s s ASP 100 Cb 0.08 0.85 0.01 0.00 -0.30 0.00 0.00 42.92 43.56 1u0s s ASP 100 CO 0.82 -1.68 0.24 0.72 -0.17 0.00 0.00 175.17 175.10 1u0s s PHE 101 N -2.36 -0.02 0.15 -5.34 -0.71 -1.26 -0.84 117.98 107.60 1u0s s PHE 101 Ca 0.15 -0.15 0.06 0.00 -1.04 0.00 0.00 56.93 55.96 1u0s s PHE 101 Cb -0.05 0.02 -0.04 0.00 -1.21 0.00 0.00 43.02 41.74 1u0s s PHE 101 CO 0.11 -0.45 -0.13 0.96 -1.34 0.00 0.00 175.22 174.38 1u0s s ILE 102 N -2.43 1.38 -0.06 -4.49 -4.36 0.06 -4.92 121.20 106.39 1u0s s ILE 102 Ca -0.06 -1.97 0.05 0.00 -0.26 0.00 0.00 60.65 58.42 1u0s s ILE 102 Cb -0.02 -1.77 -0.01 0.00 1.25 0.00 0.00 42.46 41.91 1u0s s ILE 102 CO -0.03 -0.58 -0.22 -0.69 0.24 0.00 0.00 174.94 173.66 1u0s s VAL 103 N -2.77 1.84 0.41 8.37 1.01 -1.26 -1.25 120.40 126.75 1u0s s VAL 103 Ca 0.15 -0.94 -0.23 0.00 0.00 0.00 0.00 61.98 60.96 1u0s s VAL 103 Cb -0.01 -1.57 -0.09 0.00 0.00 0.00 0.00 36.38 34.70 1u0s s VAL 103 CO 0.03 0.52 1.01 -0.54 0.00 0.00 0.00 175.10 176.11 1u0s s LYS 104 N -0.04 4.18 0.40 2.72 1.02 0.55 -4.04 119.74 124.53 1u0s s LYS 104 Ca -0.05 1.36 -0.26 0.00 0.02 0.00 0.00 55.97 57.04 1u0s s LYS 104 Cb -0.14 -2.42 -0.09 0.00 -0.52 0.00 0.00 37.83 34.67 1u0s s LYS 104 CO 0.04 -0.10 1.20 -1.25 -0.92 0.00 0.00 175.35 174.32 1u0s s PRO 105 N -2.71 4.06 0.05 -1.68 0.04 -1.26 -4.54 135.00 128.95 1u0s s PRO 105 Ca 0.59 1.92 -0.34 0.00 0.04 0.00 0.00 61.00 63.21 1u0s s PRO 105 Cb -0.17 -2.72 -0.12 0.00 0.04 0.00 0.00 34.50 31.52 1u0s s PRO 105 CO 0.22 -0.34 1.75 1.19 0.04 0.00 0.00 177.00 179.86 1u0s n PHE 106 N 0.14 2.35 -3.68 0.56 3.72 -1.26 -4.97 117.46 114.32 1u0s n PHE 106 Ca 0.04 0.08 -0.39 0.00 -0.05 0.00 0.00 57.45 57.13 1u0s n PHE 106 Cb 0.46 -2.63 -0.12 0.00 -0.94 0.00 0.00 39.48 36.25 1u0s n PHE 106 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1u0s s GLN 107 N 2.60 2.69 0.29 -1.08 -0.21 -1.26 -5.01 119.66 117.67 1u0s s GLN 107 Ca 0.85 -1.16 -0.01 0.00 0.02 0.00 0.00 55.36 55.06 1u0s s GLN 107 Cb -0.65 -3.59 0.65 0.00 1.00 0.00 0.00 33.01 30.41 1u0s s GLN 107 CO 0.44 -0.70 1.59 -1.00 -2.12 0.00 0.00 175.29 173.50 1u0s h PRO 108 N 8.32 0.05 -0.58 2.91 0.13 -1.99 -0.40 132.00 140.44 1u0s h PRO 108 Ca -0.24 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1u0s h PRO 108 Cb 1.09 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.18 1u0s h PRO 108 CO 0.64 0.03 0.36 0.66 -0.23 0.00 0.00 178.00 179.45 1u0s h SER 109 N 0.05 0.68 -0.18 1.44 4.64 -1.99 0.54 113.55 118.73 1u0s h SER 109 Ca 0.54 -0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 61.74 1u0s h SER 109 Cb 1.05 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1u0s h SER 109 CO -0.85 0.51 -0.23 0.03 -0.87 0.00 0.00 176.83 175.43 1u0s h ARG 110 N 0.79 0.47 -0.63 4.77 2.47 -1.53 -1.84 114.38 118.88 1u0s h ARG 110 Ca 0.21 -0.27 -0.04 0.00 -1.26 0.00 0.00 59.98 58.62 1u0s h ARG 110 Cb -0.05 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.27 1u0s h ARG 110 CO -0.04 0.85 0.22 0.28 0.56 0.00 0.00 179.97 181.84 1u0s h VAL 111 N 0.11 1.24 -0.50 2.04 2.07 -0.91 -1.42 116.25 118.88 1u0s h VAL 111 Ca 0.02 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.72 1u0s h VAL 111 Cb 0.79 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1u0s h VAL 111 CO 0.05 0.31 0.22 0.58 0.02 0.00 0.00 177.57 178.75 1u0s h VAL 112 N 0.89 1.20 -0.43 2.57 2.07 -0.88 -0.92 116.25 120.76 1u0s h VAL 112 Ca 0.20 -0.60 -0.10 0.00 0.82 0.00 0.00 66.70 67.02 1u0s h VAL 112 Cb 0.26 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1u0s h VAL 112 CO -0.01 0.23 -0.13 -0.08 0.02 0.00 0.00 177.57 177.60 1u0s h GLU 113 N 0.67 0.79 -0.38 1.57 4.81 -1.17 -0.99 114.58 119.88 1u0s h GLU 113 Ca 0.17 -0.27 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 1u0s h GLU 113 Cb 0.16 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1u0s h GLU 113 CO -0.02 0.88 0.17 0.00 -0.73 0.00 0.00 179.01 179.32 1u0s h ALA 114 N 1.14 0.49 -0.16 2.92 0.00 -0.92 0.10 119.26 122.84 1u0s h ALA 114 Ca 0.12 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1u0s h ALA 114 Cb 0.62 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1u0s h ALA 114 CO 0.04 0.07 0.09 -0.07 0.00 0.00 0.00 179.25 179.38 1u0s h LEU 115 N 0.47 0.19 -0.43 0.00 3.38 -0.97 -1.86 115.31 116.09 1u0s h LEU 115 Ca 0.13 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1u0s h LEU 115 Cb 0.14 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1u0s h LEU 115 CO -0.01 0.18 0.27 0.78 0.09 0.00 0.00 178.44 179.74 1u0s h ASN 116 N 0.18 0.51 0.06 -0.43 2.35 -0.95 -3.15 115.58 114.15 1u0s h ASN 116 Ca 0.06 -0.04 -0.11 0.00 -0.55 0.00 0.00 56.30 55.65 1u0s h ASN 116 Cb 0.03 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 1u0s h ASN 116 CO -0.01 0.40 -0.37 0.11 -1.65 0.00 0.00 177.43 175.91 1u0s h LYS 117 N 0.58 0.42 0.00 0.81 1.79 -0.69 -2.74 116.57 116.73 1u0s h LYS 117 Ca 0.16 -0.19 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1u0s h LYS 117 Cb -0.02 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.62 1u0s h LYS 117 CO -0.03 0.73 0.00 -0.39 -1.08 0.00 0.00 179.45 178.68 1u0s h VAL 118 N 0.35 0.00 -0.02 0.50 -1.51 -1.30 -3.51 116.25 110.77 1u0s h VAL 118 Ca 0.04 -0.45 0.00 0.00 -1.23 0.00 0.00 66.70 65.06 1u0s h VAL 118 Cb 0.81 1.42 0.00 0.00 -2.13 0.00 0.00 31.29 31.39 1u0s h VAL 118 CO 0.07 0.00 0.00 -1.20 -1.23 0.00 0.00 177.57 175.21