#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uf0 h SER 2 N 0.00 -0.01 -2.74 1.61 0.02 -2.10 -3.47 113.55 106.87 1uf0 h SER 2 Ca 0.00 0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.50 1uf0 h SER 2 Cb 0.00 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 62.15 1uf0 h SER 2 CO 0.00 0.01 -0.73 -0.44 -1.14 0.00 0.00 176.83 174.54 1uf0 s SER 3 N -3.00 2.59 0.00 3.07 0.01 -1.26 -4.98 113.70 110.14 1uf0 s SER 3 Ca -0.00 -0.85 0.00 0.00 1.31 0.00 0.00 55.95 56.41 1uf0 s SER 3 Cb 0.00 -0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.14 1uf0 s SER 3 CO 0.00 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 173.87 1uf0 n GLY 4 N 5.28 -1.58 1.47 3.44 0.00 -1.26 -5.16 105.19 107.37 1uf0 n GLY 4 Ca -0.06 0.55 0.18 0.00 0.00 0.00 0.00 46.02 46.69 1uf0 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uf0 n SER 5 N 0.00 -7.98 -4.97 1.61 7.64 -1.26 -4.94 113.62 103.73 1uf0 n SER 5 Ca 0.00 1.50 -0.21 0.00 1.01 0.00 0.00 58.87 61.17 1uf0 n SER 5 Cb 0.00 -5.07 -0.02 0.00 -1.01 0.00 0.00 64.21 58.11 1uf0 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1uf0 s SER 6 N -7.30 6.26 0.00 6.43 1.04 -1.26 -4.98 113.70 113.89 1uf0 s SER 6 Ca 0.00 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.57 1uf0 s SER 6 Cb 0.00 -1.82 0.00 0.00 0.10 0.00 0.00 66.02 64.30 1uf0 s SER 6 CO 0.00 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.65 1uf0 n GLY 7 N -1.54 0.27 2.60 7.32 0.00 -1.26 -5.10 105.19 107.48 1uf0 n GLY 7 Ca -0.07 -1.87 -0.05 0.00 0.00 0.00 0.00 46.02 44.03 1uf0 n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1uf0 n LYS 8 N 0.00 -4.56 -4.36 1.61 5.02 -1.26 -5.05 118.16 109.56 1uf0 n LYS 8 Ca 0.00 3.44 -0.25 0.00 -2.02 0.00 0.00 58.31 59.47 1uf0 n LYS 8 Cb 0.00 -5.11 -0.10 0.00 -0.02 0.00 0.00 35.03 29.80 1uf0 n LYS 8 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1uf0 s LYS 9 N -0.75 1.89 -0.14 1.97 2.47 -1.26 -5.12 119.74 118.79 1uf0 s LYS 9 Ca -0.27 -1.47 -0.03 0.00 -1.56 0.00 0.00 55.97 52.64 1uf0 s LYS 9 Cb 0.02 -2.00 0.05 0.00 -1.46 0.00 0.00 37.83 34.44 1uf0 s LYS 9 CO 0.80 0.39 0.03 0.00 0.16 0.00 0.00 175.35 176.73 1uf0 s ALA 10 N -1.98 0.78 0.04 3.13 0.00 -1.26 -4.34 121.76 118.13 1uf0 s ALA 10 Ca 0.26 -0.40 -0.31 0.00 0.00 0.00 0.00 51.96 51.52 1uf0 s ALA 10 Cb -0.07 -0.98 -0.06 0.00 0.00 0.00 0.00 23.12 22.01 1uf0 s ALA 10 CO 0.15 -0.89 1.31 0.21 0.00 0.00 0.00 175.76 176.54 1uf0 s LYS 11 N 1.95 4.35 -0.22 0.00 2.20 0.39 -4.65 119.74 123.76 1uf0 s LYS 11 Ca 0.02 1.90 -0.18 0.00 -0.36 0.00 0.00 55.97 57.34 1uf0 s LYS 11 Cb -0.15 -3.42 -0.03 0.00 -1.51 0.00 0.00 37.83 32.72 1uf0 s LYS 11 CO -0.07 -0.43 0.51 0.15 -0.36 0.00 0.00 175.35 175.15 1uf0 s LYS 12 N 1.63 4.16 -0.02 4.03 -0.14 -1.26 0.01 119.74 128.15 1uf0 s LYS 12 Ca 0.61 0.37 -0.00 0.00 -1.36 0.00 0.00 55.97 55.59 1uf0 s LYS 12 Cb -0.31 -3.58 0.02 0.00 -1.68 0.00 0.00 37.83 32.27 1uf0 s LYS 12 CO 0.28 -0.19 0.03 0.14 -0.76 0.00 0.00 175.35 174.85 1uf0 s VAL 13 N 1.78 -0.04 -0.13 3.17 -7.23 -1.00 -1.73 120.40 115.22 1uf0 s VAL 13 Ca 0.23 0.14 -0.04 0.00 -1.81 0.00 0.00 61.98 60.50 1uf0 s VAL 13 Cb -0.15 -0.07 -0.04 0.00 0.56 0.00 0.00 36.38 36.68 1uf0 s VAL 13 CO 0.09 0.06 0.03 -0.60 -0.31 0.00 0.00 175.10 174.37 1uf0 s ARG 14 N 0.71 3.41 -0.01 4.82 3.52 -0.84 -0.21 118.95 130.36 1uf0 s ARG 14 Ca -0.06 -0.37 0.08 0.00 -0.13 0.00 0.00 55.73 55.25 1uf0 s ARG 14 Cb -0.08 -2.98 -0.02 0.00 -1.56 0.00 0.00 34.95 30.31 1uf0 s ARG 14 CO -0.02 0.53 -0.26 -0.06 -0.81 0.00 0.00 175.30 174.68 1uf0 s PHE 15 N -0.38 2.34 0.34 5.12 0.08 -0.52 -1.00 117.98 123.96 1uf0 s PHE 15 Ca 0.08 -0.42 0.05 0.00 0.12 0.00 0.00 56.93 56.76 1uf0 s PHE 15 Cb -0.12 -1.48 -0.07 0.00 -0.57 0.00 0.00 43.02 40.78 1uf0 s PHE 15 CO 0.02 0.01 0.01 0.71 -0.10 0.00 0.00 175.22 175.87 1uf0 s TYR 16 N -0.66 2.13 -0.15 0.36 2.02 -0.96 -2.45 117.35 117.64 1uf0 s TYR 16 Ca 0.11 -0.81 -0.19 0.00 -0.37 0.00 0.00 57.07 55.81 1uf0 s TYR 16 Cb -0.10 -1.39 -0.04 0.00 -0.40 0.00 0.00 41.96 40.03 1uf0 s TYR 16 CO -0.00 0.21 0.52 0.50 -1.57 0.00 0.00 175.55 175.20 1uf0 s ARG 17 N -3.80 4.28 -0.39 -0.62 6.06 -1.26 -1.00 118.95 122.22 1uf0 s ARG 17 Ca 0.34 0.47 -0.27 0.00 -2.50 0.00 0.00 55.73 53.77 1uf0 s ARG 17 Cb 0.08 -3.50 -0.06 0.00 0.06 0.00 0.00 34.95 31.53 1uf0 s ARG 17 CO 0.15 0.00 2.35 -1.71 -2.50 0.00 0.00 175.30 173.60 1uf0 n ASN 18 N 4.22 2.66 -0.18 -2.12 5.15 -1.15 -1.80 115.26 122.04 1uf0 n ASN 18 Ca -0.05 -0.25 0.00 0.00 -0.60 0.00 0.00 54.58 53.67 1uf0 n ASN 18 Cb 0.51 -1.58 0.00 0.00 -0.53 0.00 0.00 39.78 38.18 1uf0 n ASN 18 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1uf0 n GLY 19 N 5.93 0.99 2.83 8.20 0.00 -1.26 -4.98 105.19 116.90 1uf0 n GLY 19 Ca 0.35 -0.25 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 1uf0 n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1uf0 s ASP 20 N -2.37 -0.11 0.25 1.61 2.15 -0.74 -5.00 116.67 112.47 1uf0 s ASP 20 Ca 0.00 -1.62 0.04 0.00 0.43 0.00 0.00 52.55 51.40 1uf0 s ASP 20 Cb 0.00 1.10 0.30 0.00 -0.30 0.00 0.00 42.92 44.02 1uf0 s ASP 20 CO 0.00 -0.17 1.60 0.08 -0.17 0.00 0.00 175.17 176.51 1uf0 h ARG 21 N 6.37 0.29 -0.35 4.34 0.11 -1.92 -2.94 114.38 120.28 1uf0 h ARG 21 Ca 0.08 -0.17 0.10 0.00 0.10 0.00 0.00 59.98 60.10 1uf0 h ARG 21 Cb 1.08 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 32.16 1uf0 h ARG 21 CO 0.15 0.74 0.27 1.88 0.10 0.00 0.00 179.97 183.11 1uf0 h TYR 22 N 0.23 0.00 -2.53 4.08 0.05 -1.95 -3.42 116.97 113.43 1uf0 h TYR 22 Ca 0.01 0.00 -0.53 0.00 0.05 0.00 0.00 58.73 58.26 1uf0 h TYR 22 Cb 0.99 0.00 0.05 0.00 1.01 0.00 0.00 36.73 38.78 1uf0 h TYR 22 CO 0.02 0.00 1.07 0.34 -1.05 0.00 0.00 178.16 178.55 1uf0 n PHE 23 N -4.31 2.66 0.04 4.88 7.35 -1.11 -4.89 117.46 122.08 1uf0 n PHE 23 Ca 0.06 -0.08 -0.06 0.00 -0.76 0.00 0.00 57.45 56.61 1uf0 n PHE 23 Cb 0.45 -2.71 0.13 0.00 0.35 0.00 0.00 39.48 37.69 1uf0 n PHE 23 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1uf0 h LYS 24 N 7.94 0.42 0.00 -4.13 6.56 -1.90 -3.49 116.57 121.97 1uf0 h LYS 24 Ca -0.45 -0.23 0.00 0.00 -1.06 0.00 0.00 60.65 58.90 1uf0 h LYS 24 Cb 1.22 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.89 1uf0 h LYS 24 CO 0.95 0.81 0.00 0.41 -2.06 0.00 0.00 179.45 179.56 1uf0 n GLY 25 N 0.06 2.55 3.25 3.86 0.00 -1.26 -4.95 105.19 108.70 1uf0 n GLY 25 Ca -0.02 -1.78 -0.31 0.00 0.00 0.00 0.00 46.02 43.91 1uf0 n GLY 25 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1uf0 s ILE 26 N -2.20 2.01 -0.22 -0.61 2.07 -1.02 -4.98 121.20 116.25 1uf0 s ILE 26 Ca 0.00 -1.04 -0.11 0.00 -1.41 0.00 0.00 60.65 58.09 1uf0 s ILE 26 Cb 0.00 -1.71 -0.05 0.00 0.13 0.00 0.00 42.46 40.83 1uf0 s ILE 26 CO 0.00 0.56 0.17 -0.69 -1.91 0.00 0.00 174.94 173.07 1uf0 s VAL 27 N -0.10 5.37 0.38 4.00 1.01 -1.26 -1.44 120.40 128.35 1uf0 s VAL 27 Ca -0.05 0.24 0.08 0.00 0.00 0.00 0.00 61.98 62.24 1uf0 s VAL 27 Cb -0.14 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1uf0 s VAL 27 CO 0.04 0.38 0.21 -0.31 0.00 0.00 0.00 175.10 175.42 1uf0 s TYR 28 N 0.75 2.68 -0.15 5.22 1.51 0.71 -4.96 117.35 123.11 1uf0 s TYR 28 Ca 0.09 -0.47 -0.01 0.00 -1.01 0.00 0.00 57.07 55.66 1uf0 s TYR 28 Cb -0.12 -1.87 0.04 0.00 -0.11 0.00 0.00 41.96 39.90 1uf0 s TYR 28 CO 0.02 0.18 -0.01 0.00 -1.11 0.00 0.00 175.55 174.63 1uf0 s ALA 29 N -2.49 1.12 -0.53 3.71 0.00 -1.25 -2.38 121.76 119.94 1uf0 s ALA 29 Ca 0.41 -0.60 -0.22 0.00 0.00 0.00 0.00 51.96 51.56 1uf0 s ALA 29 Cb -0.01 -1.04 0.05 0.00 0.00 0.00 0.00 23.12 22.13 1uf0 s ALA 29 CO 0.24 -0.82 0.78 0.42 0.00 0.00 0.00 175.76 176.38 1uf0 s ILE 30 N 1.80 4.63 0.31 0.00 -1.09 0.10 -4.77 121.20 122.18 1uf0 s ILE 30 Ca 0.01 -0.13 0.06 0.00 -2.23 0.00 0.00 60.65 58.36 1uf0 s ILE 30 Cb -0.15 -4.42 -0.06 0.00 -1.58 0.00 0.00 42.46 36.25 1uf0 s ILE 30 CO -0.07 -0.97 -0.01 -0.44 -1.23 0.00 0.00 174.94 172.22 1uf0 s SER 31 N 2.79 2.73 0.24 3.58 0.01 -1.26 -0.46 113.70 121.33 1uf0 s SER 31 Ca 0.22 -1.28 0.00 0.00 1.31 0.00 0.00 55.95 56.21 1uf0 s SER 31 Cb -0.16 -0.16 0.28 0.00 0.21 0.00 0.00 66.02 66.19 1uf0 s SER 31 CO 0.15 -0.46 1.63 1.55 0.41 0.00 0.00 173.24 176.52 1uf0 h PRO 32 N 2.16 0.50 0.02 12.44 0.13 -1.78 -2.53 132.00 142.95 1uf0 h PRO 32 Ca -0.41 -0.24 -0.28 0.00 -0.87 0.00 0.00 66.00 64.20 1uf0 h PRO 32 Cb 1.24 -0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.33 1uf0 h PRO 32 CO 0.70 0.81 -1.59 -0.44 -0.23 0.00 0.00 178.00 177.24 1uf0 h ASP 33 N 0.42 0.07 0.01 1.44 5.19 -1.97 -3.40 116.42 118.19 1uf0 h ASP 33 Ca 0.04 -0.13 -0.00 0.00 -0.62 0.00 0.00 57.03 56.32 1uf0 h ASP 33 Cb 0.85 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.34 1uf0 h ASP 33 CO 0.07 1.11 -0.01 -0.09 -3.12 0.00 0.00 179.24 177.21 1uf0 h ARG 34 N 0.01 -0.01 -6.18 3.56 9.65 -1.91 -3.46 114.38 116.04 1uf0 h ARG 34 Ca -0.24 0.00 -0.54 0.00 -1.10 0.00 0.00 59.98 58.10 1uf0 h ARG 34 Cb 1.97 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 30.48 1uf0 h ARG 34 CO 0.10 -0.01 -0.59 -0.06 2.80 0.00 0.00 179.97 182.21 1uf0 s PHE 35 N -2.52 2.80 0.00 2.20 0.08 -0.96 -4.98 117.98 114.61 1uf0 s PHE 35 Ca -0.00 -0.23 0.00 0.00 0.12 0.00 0.00 56.93 56.81 1uf0 s PHE 35 Cb 0.00 -1.36 0.00 0.00 -0.57 0.00 0.00 43.02 41.09 1uf0 s PHE 35 CO 0.01 0.52 0.00 -2.13 -0.10 0.00 0.00 175.22 173.52 1uf0 n ARG 36 N -1.04 0.00 -4.32 0.44 3.00 -1.26 -4.45 116.66 109.03 1uf0 n ARG 36 Ca -0.06 0.00 -0.17 0.00 -0.00 0.00 0.00 57.85 57.63 1uf0 n ARG 36 Cb 0.59 -0.56 -0.10 0.00 0.00 0.00 0.00 32.46 32.39 1uf0 n ARG 36 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1uf0 s SER 37 N -4.34 1.51 0.48 6.15 1.04 -1.26 -5.03 113.70 112.24 1uf0 s SER 37 Ca 0.00 -1.30 0.13 0.00 0.48 0.00 0.00 55.95 55.26 1uf0 s SER 37 Cb 0.00 0.08 1.11 0.00 0.10 0.00 0.00 66.02 67.31 1uf0 s SER 37 CO 0.00 -0.62 2.11 0.15 0.98 0.00 0.00 173.24 175.85 1uf0 h PHE 38 N 2.44 0.18 -0.36 5.02 3.57 -1.96 -1.46 116.94 124.35 1uf0 h PHE 38 Ca -0.38 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.10 1uf0 h PHE 38 Cb 1.23 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.89 1uf0 h PHE 38 CO 0.52 0.13 0.16 0.93 -2.23 0.00 0.00 178.31 177.81 1uf0 h GLU 39 N 0.19 0.51 -0.14 1.11 4.39 -1.99 -0.78 114.58 117.88 1uf0 h GLU 39 Ca 0.05 -0.06 -0.16 0.00 0.34 0.00 0.00 59.36 59.54 1uf0 h GLU 39 Cb 0.01 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 1uf0 h GLU 39 CO -0.01 0.41 -0.57 0.00 -1.16 0.00 0.00 179.01 177.68 1uf0 h ALA 40 N 1.67 0.75 -0.01 3.43 0.00 -1.68 -1.83 119.26 121.60 1uf0 h ALA 40 Ca 0.13 -0.52 -0.17 0.00 0.00 0.00 0.00 54.91 54.34 1uf0 h ALA 40 Cb 0.09 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1uf0 h ALA 40 CO -0.02 0.70 -0.78 1.25 0.00 0.00 0.00 179.25 180.40 1uf0 h LEU 41 N 0.33 0.13 -0.24 0.00 5.85 -1.29 -3.15 115.31 116.94 1uf0 h LEU 41 Ca 0.00 -0.10 -0.21 0.00 0.84 0.00 0.00 57.88 58.41 1uf0 h LEU 41 Cb 1.10 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 1uf0 h LEU 41 CO 0.10 0.86 -0.90 -0.07 -0.34 0.00 0.00 178.44 178.09 1uf0 h LEU 42 N 0.06 0.35 -0.90 2.25 3.38 -1.09 -2.48 115.31 116.89 1uf0 h LEU 42 Ca -0.02 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.63 1uf0 h LEU 42 Cb 1.37 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.98 1uf0 h LEU 42 CO 0.11 1.09 0.40 0.00 0.09 0.00 0.00 178.44 180.13 1uf0 h ALA 43 N 0.89 1.14 -0.01 1.53 0.00 -1.32 -0.75 119.26 120.74 1uf0 h ALA 43 Ca -0.06 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.54 1uf0 h ALA 43 Cb 1.53 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 19.00 1uf0 h ALA 43 CO 0.14 0.65 -0.61 0.22 0.00 0.00 0.00 179.25 179.66 1uf0 h ASP 44 N 1.18 0.55 -0.17 0.00 3.58 -1.57 -2.83 116.42 117.15 1uf0 h ASP 44 Ca 0.28 -0.75 -0.00 0.00 0.42 0.00 0.00 57.03 56.98 1uf0 h ASP 44 Cb 0.11 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 40.99 1uf0 h ASP 44 CO -0.04 1.23 0.10 -0.07 -2.88 0.00 0.00 179.24 177.58 1uf0 h LEU 45 N -0.08 0.22 -0.38 2.28 3.38 -1.31 -1.32 115.31 118.10 1uf0 h LEU 45 Ca -0.07 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.71 1uf0 h LEU 45 Cb 1.32 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 1uf0 h LEU 45 CO 0.12 0.18 -0.81 0.74 0.09 0.00 0.00 178.44 178.76 1uf0 h THR 46 N 0.26 1.53 -0.01 0.22 2.02 -1.15 0.16 112.91 115.94 1uf0 h THR 46 Ca 0.07 -2.64 -0.15 0.00 0.77 0.00 0.00 66.41 64.46 1uf0 h THR 46 Cb 0.01 2.44 -0.02 0.00 -1.74 0.00 0.00 68.15 68.84 1uf0 h THR 46 CO -0.01 0.76 -0.71 -0.09 0.37 0.00 0.00 175.52 175.84 1uf0 h ARG 47 N 0.05 0.04 0.00 6.66 9.65 -1.02 -3.35 114.38 126.40 1uf0 h ARG 47 Ca -0.02 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 1uf0 h ARG 47 Cb 1.42 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 30.01 1uf0 h ARG 47 CO 0.11 0.72 0.00 0.25 2.80 0.00 0.00 179.97 183.86 1uf0 n THR 48 N -3.72 0.00 -0.98 0.20 -2.24 -0.67 -4.71 114.28 102.17 1uf0 n THR 48 Ca -0.01 0.26 -0.34 0.00 -2.27 0.00 0.00 64.05 61.69 1uf0 n THR 48 Cb 0.69 -1.25 -0.04 0.00 -2.10 0.00 0.00 70.33 67.63 1uf0 n THR 48 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1uf0 n LEU 49 N -2.05 4.45 -3.65 3.22 4.77 0.55 -4.67 117.00 119.62 1uf0 n LEU 49 Ca 0.00 -2.90 0.01 0.00 -0.03 0.00 0.00 56.01 53.10 1uf0 n LEU 49 Cb 0.00 -1.11 -0.06 0.00 -2.33 0.00 0.00 43.42 39.92 1uf0 n LEU 49 CO 0.00 0.06 1.04 -0.55 -1.33 0.00 0.00 177.39 176.61 1uf0 s SER 50 N 4.31 -0.06 0.00 -1.43 0.15 -1.26 -4.58 113.70 110.82 1uf0 s SER 50 Ca 0.49 0.10 0.00 0.00 0.70 0.00 0.00 55.95 57.24 1uf0 s SER 50 Cb 0.12 0.84 0.00 0.00 -1.71 0.00 0.00 66.02 65.28 1uf0 s SER 50 CO 0.05 -0.02 0.00 0.47 1.20 0.00 0.00 173.24 174.94 1uf0 n ASP 51 N 2.79 0.00 0.04 5.45 9.92 -1.25 -4.85 116.55 128.64 1uf0 n ASP 51 Ca -0.16 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.10 1uf0 n ASP 51 Cb 0.56 0.01 0.00 0.00 -0.64 0.00 0.00 41.12 41.05 1uf0 n ASP 51 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1uf0 n ASN 52 N -1.89 -0.71 0.15 -2.24 5.15 -1.26 -4.72 115.26 109.74 1uf0 n ASN 52 Ca 0.00 0.31 0.01 0.00 -0.60 0.00 0.00 54.58 54.30 1uf0 n ASN 52 Cb 0.00 0.90 0.28 0.00 -0.53 0.00 0.00 39.78 40.44 1uf0 n ASN 52 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 1uf0 h VAL 53 N 0.00 1.32 0.00 3.44 2.07 -1.99 -3.06 116.25 118.02 1uf0 h VAL 53 Ca 0.00 -1.52 0.00 0.00 0.82 0.00 0.00 66.70 66.00 1uf0 h VAL 53 Cb 0.00 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1uf0 h VAL 53 CO 0.00 0.44 -0.24 0.78 0.02 0.00 0.00 177.57 178.57 1uf0 h ASN 54 N 0.05 0.00 -2.61 0.57 2.35 -1.96 -3.46 115.58 110.53 1uf0 h ASN 54 Ca 0.00 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 55.17 1uf0 h ASN 54 Cb 0.79 0.00 -0.39 0.00 0.05 0.00 0.00 38.32 38.77 1uf0 h ASN 54 CO 0.06 0.44 -0.86 -0.76 -1.65 0.00 0.00 177.43 174.66 1uf0 s LEU 55 N -6.89 1.12 0.41 1.61 1.43 -1.26 -4.98 118.68 110.13 1uf0 s LEU 55 Ca -0.07 -2.32 0.21 0.00 -1.03 0.00 0.00 54.13 50.92 1uf0 s LEU 55 Cb 0.01 -0.44 0.86 0.00 0.03 0.00 0.00 46.19 46.66 1uf0 s LEU 55 CO 0.10 -0.29 1.82 1.55 0.23 0.00 0.00 176.35 179.76 1uf0 h PRO 56 N 6.83 0.00 -0.97 1.29 0.13 -1.82 -2.90 132.00 134.55 1uf0 h PRO 56 Ca 0.08 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.78 1uf0 h PRO 56 Cb 0.96 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 31.83 1uf0 h PRO 56 CO 0.29 0.30 0.54 1.04 -0.23 0.00 0.00 178.00 179.94 1uf0 n GLN 57 N -3.58 2.29 -1.26 0.86 6.02 -1.26 -4.93 117.38 115.52 1uf0 n GLN 57 Ca -0.01 -2.69 0.17 0.00 -0.01 0.00 0.00 57.00 54.46 1uf0 n GLN 57 Cb 0.44 -2.06 -0.05 0.00 1.02 0.00 0.00 30.24 29.59 1uf0 n GLN 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1uf0 n GLY 58 N -0.85 -1.78 3.80 1.08 0.00 -1.10 -4.78 105.19 101.57 1uf0 n GLY 58 Ca 0.51 -0.95 -0.36 0.00 0.00 0.00 0.00 46.02 45.22 1uf0 n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uf0 s VAL 59 N -2.38 4.34 0.25 1.61 0.11 -1.26 -4.55 120.40 118.52 1uf0 s VAL 59 Ca 0.00 1.61 0.00 0.00 -2.93 0.00 0.00 61.98 60.66 1uf0 s VAL 59 Cb 0.00 -3.89 0.00 0.00 -1.53 0.00 0.00 36.38 30.96 1uf0 s VAL 59 CO 0.00 0.05 0.00 -1.14 -3.33 0.00 0.00 175.10 170.68 1uf0 n ARG 60 N 0.33 0.00 -3.80 1.54 0.00 -0.84 -4.93 116.66 108.95 1uf0 n ARG 60 Ca 0.02 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.51 1uf0 n ARG 60 Cb 0.51 -0.00 -0.13 0.00 0.00 0.00 0.00 32.46 32.84 1uf0 n ARG 60 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1uf0 s THR 61 N -1.83 3.85 -0.42 5.15 2.01 0.12 -4.99 115.64 119.53 1uf0 s THR 61 Ca 0.00 -0.54 -0.12 0.00 0.31 0.00 0.00 61.69 61.34 1uf0 s THR 61 Cb 0.00 -2.89 0.06 0.00 0.01 0.00 0.00 72.50 69.68 1uf0 s THR 61 CO 0.00 0.23 0.29 -0.63 -0.69 0.00 0.00 174.62 173.82 1uf0 s ILE 62 N 1.51 4.73 0.58 1.82 1.01 -1.24 -1.31 121.20 128.31 1uf0 s ILE 62 Ca 0.04 -1.07 -0.05 0.00 0.00 0.00 0.00 60.65 59.57 1uf0 s ILE 62 Cb -0.16 -3.78 0.01 0.00 0.01 0.00 0.00 42.46 38.55 1uf0 s ILE 62 CO 0.01 -0.43 0.87 -0.31 0.00 0.00 0.00 174.94 175.08 1uf0 s TYR 63 N 1.55 3.19 0.92 3.97 1.51 -0.70 0.71 117.35 128.49 1uf0 s TYR 63 Ca 0.03 0.52 -0.13 0.00 -1.01 0.00 0.00 57.07 56.49 1uf0 s TYR 63 Cb -0.22 -2.72 0.14 0.00 -0.11 0.00 0.00 41.96 39.05 1uf0 s TYR 63 CO 0.06 -0.82 1.14 0.95 -1.11 0.00 0.00 175.55 175.77 1uf0 s THR 64 N -2.94 1.99 0.36 -0.71 -4.23 -0.75 0.74 115.64 110.11 1uf0 s THR 64 Ca 0.54 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 61.08 1uf0 s THR 64 Cb -0.10 -2.75 0.26 0.00 1.34 0.00 0.00 72.50 71.25 1uf0 s THR 64 CO 0.44 0.00 2.02 -0.29 -0.54 0.00 0.00 174.62 176.25 1uf0 h ILE 65 N -1.53 1.15 0.10 2.99 6.09 -1.82 -2.87 117.51 121.62 1uf0 h ILE 65 Ca -0.50 -0.27 -0.16 0.00 -1.37 0.00 0.00 64.86 62.56 1uf0 h ILE 65 Cb 1.33 0.29 0.02 0.00 0.47 0.00 0.00 36.82 38.92 1uf0 h ILE 65 CO 0.61 0.15 -0.67 0.44 -3.07 0.00 0.00 178.15 175.60 1uf0 h ASP 66 N 0.79 0.41 0.00 2.19 3.32 -1.92 -3.48 116.42 117.74 1uf0 h ASP 66 Ca 0.21 -0.93 0.00 0.00 0.02 0.00 0.00 57.03 56.33 1uf0 h ASP 66 Cb -0.09 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.33 1uf0 h ASP 66 CO -0.05 1.31 0.00 0.61 -1.72 0.00 0.00 179.24 179.40 1uf0 n GLY 67 N 1.57 0.77 0.39 2.75 0.00 -1.08 -4.99 105.19 104.60 1uf0 n GLY 67 Ca -0.13 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.87 1uf0 n GLY 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uf0 n LEU 68 N 0.00 1.83 -4.56 0.99 4.77 -1.26 -4.97 117.00 113.80 1uf0 n LEU 68 Ca 0.00 0.01 -0.31 0.00 -0.03 0.00 0.00 56.01 55.67 1uf0 n LEU 68 Cb 0.00 -0.08 -0.11 0.00 -2.33 0.00 0.00 43.42 40.90 1uf0 n LEU 68 CO 0.00 0.34 -0.42 -0.54 -1.33 0.00 0.00 177.39 175.44 1uf0 s LYS 69 N -2.05 2.31 -0.18 3.23 -0.14 -1.26 -5.02 119.74 116.64 1uf0 s LYS 69 Ca -0.03 -0.87 -0.04 0.00 -1.36 0.00 0.00 55.97 53.66 1uf0 s LYS 69 Cb 0.01 -2.37 -0.02 0.00 -1.68 0.00 0.00 37.83 33.77 1uf0 s LYS 69 CO 0.05 0.56 -0.04 -1.59 -0.76 0.00 0.00 175.35 173.57 1uf0 s LYS 70 N -1.67 3.57 -0.14 1.68 0.00 -1.26 -1.80 119.74 120.12 1uf0 s LYS 70 Ca 0.18 -0.56 -0.29 0.00 0.00 0.00 0.00 55.97 55.29 1uf0 s LYS 70 Cb -0.11 -2.95 -0.02 0.00 0.00 0.00 0.00 37.83 34.76 1uf0 s LYS 70 CO 0.09 0.09 1.18 0.42 0.00 0.00 0.00 175.35 177.12 1uf0 s ILE 71 N 0.76 4.40 -0.04 3.79 -1.09 0.22 -4.88 121.20 124.36 1uf0 s ILE 71 Ca -0.01 1.70 0.15 0.00 -2.23 0.00 0.00 60.65 60.26 1uf0 s ILE 71 Cb -0.15 -4.09 0.28 0.00 -1.58 0.00 0.00 42.46 36.92 1uf0 s ILE 71 CO 0.02 -0.09 1.12 -0.24 -1.23 0.00 0.00 174.94 174.53 1uf0 n SER 72 N 5.95 0.93 -0.96 3.58 2.88 -1.26 -3.70 113.62 121.04 1uf0 n SER 72 Ca 0.12 -2.39 0.00 0.00 -1.33 0.00 0.00 58.87 55.27 1uf0 n SER 72 Cb 0.46 -0.32 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 1uf0 n SER 72 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1uf0 n SER 73 N -0.08 0.00 -0.09 -3.46 7.64 -1.26 -5.05 113.62 111.32 1uf0 n SER 73 Ca 0.07 -0.96 -0.10 0.00 1.01 0.00 0.00 58.87 58.89 1uf0 n SER 73 Cb 0.89 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.96 1uf0 n SER 73 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1uf0 n LEU 74 N 0.00 0.43 0.11 -3.43 4.77 -1.26 -4.43 117.00 113.18 1uf0 n LEU 74 Ca 0.00 -0.02 -0.03 0.00 -0.03 0.00 0.00 56.01 55.93 1uf0 n LEU 74 Cb 0.00 0.25 0.06 0.00 -2.33 0.00 0.00 43.42 41.40 1uf0 n LEU 74 CO 0.00 0.49 0.36 0.44 -1.33 0.00 0.00 177.39 177.35 1uf0 h ASP 75 N 0.00 0.00 -0.31 -1.43 5.19 -2.02 -3.15 116.42 114.71 1uf0 h ASP 75 Ca -0.47 0.00 0.03 0.00 -0.62 0.00 0.00 57.03 55.97 1uf0 h ASP 75 Cb 2.02 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 41.52 1uf0 h ASP 75 CO 0.01 0.77 0.21 1.56 -3.12 0.00 0.00 179.24 178.67 1uf0 h GLN 76 N 0.00 0.27 -7.24 3.56 1.08 -1.98 -3.43 115.11 107.38 1uf0 h GLN 76 Ca -0.01 -0.02 -0.47 0.00 -1.45 0.00 0.00 58.65 56.71 1uf0 h GLN 76 Cb 1.36 -0.06 0.19 0.00 -0.05 0.00 0.00 27.48 28.92 1uf0 h GLN 76 CO 0.10 0.18 0.13 -0.51 -0.95 0.00 0.00 178.83 177.77 1uf0 s LEU 77 N -9.24 1.62 -0.15 1.46 1.43 -1.19 -5.07 118.68 107.55 1uf0 s LEU 77 Ca -0.07 1.60 -0.13 0.00 -1.03 0.00 0.00 54.13 54.51 1uf0 s LEU 77 Cb 0.18 -3.75 0.04 0.00 0.03 0.00 0.00 46.19 42.69 1uf0 s LEU 77 CO 0.71 -3.53 0.39 -0.69 0.23 0.00 0.00 176.35 173.46 1uf0 s VAL 78 N -2.66 -0.00 0.18 -1.59 1.01 -1.26 -5.07 120.40 111.00 1uf0 s VAL 78 Ca 0.67 0.01 -0.32 0.00 0.00 0.00 0.00 61.98 62.34 1uf0 s VAL 78 Cb -0.22 -0.54 -0.11 0.00 0.00 0.00 0.00 36.38 35.50 1uf0 s VAL 78 CO 0.61 0.00 1.76 -0.70 0.00 0.00 0.00 175.10 176.77 1uf0 s GLU 79 N 0.31 4.13 0.00 2.72 2.12 -1.26 -3.23 118.70 123.49 1uf0 s GLU 79 Ca -0.01 2.60 0.00 0.00 0.36 0.00 0.00 54.97 57.92 1uf0 s GLU 79 Cb -0.03 -3.26 0.00 0.00 0.26 0.00 0.00 34.13 31.10 1uf0 s GLU 79 CO -0.01 -0.78 0.00 0.41 -0.54 0.00 0.00 175.26 174.34 1uf0 n GLY 80 N 4.07 0.47 3.32 -1.50 0.00 -0.71 -4.94 105.19 105.90 1uf0 n GLY 80 Ca 0.17 -0.42 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 1uf0 n GLY 80 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uf0 s GLU 81 N -3.34 1.09 0.21 1.61 0.41 -1.20 -5.09 118.70 112.39 1uf0 s GLU 81 Ca 0.00 -1.03 0.09 0.00 -0.41 0.00 0.00 54.97 53.63 1uf0 s GLU 81 Cb 0.00 0.40 -0.05 0.00 -1.78 0.00 0.00 34.13 32.70 1uf0 s GLU 81 CO 0.00 -0.40 -0.18 -1.12 -0.49 0.00 0.00 175.26 173.07 1uf0 s SER 82 N -2.91 2.94 -0.16 -0.19 0.01 -1.26 -1.99 113.70 110.14 1uf0 s SER 82 Ca 0.11 -0.95 -0.10 0.00 1.31 0.00 0.00 55.95 56.32 1uf0 s SER 82 Cb 0.03 -0.19 0.05 0.00 0.21 0.00 0.00 66.02 66.12 1uf0 s SER 82 CO -0.05 -0.04 0.39 -0.31 0.41 0.00 0.00 173.24 173.64 1uf0 s TYR 83 N -2.41 -0.55 -0.32 2.43 1.51 -0.17 -2.44 117.35 115.40 1uf0 s TYR 83 Ca 0.22 1.20 -0.25 0.00 -1.01 0.00 0.00 57.07 57.23 1uf0 s TYR 83 Cb -0.04 0.22 0.01 0.00 -0.11 0.00 0.00 41.96 42.04 1uf0 s TYR 83 CO 0.09 -0.31 0.87 0.08 -1.11 0.00 0.00 175.55 175.18 1uf0 s VAL 84 N 1.16 4.70 0.22 0.71 1.01 0.23 -2.26 120.40 126.16 1uf0 s VAL 84 Ca -0.08 1.30 -0.30 0.00 0.00 0.00 0.00 61.98 62.90 1uf0 s VAL 84 Cb -0.07 -4.24 -0.09 0.00 0.00 0.00 0.00 36.38 31.97 1uf0 s VAL 84 CO -0.10 -0.35 1.35 0.00 0.00 0.00 0.00 175.10 176.00 1uf0 s GLY 86 N 0.29 -0.14 0.00 0.00 0.00 -0.43 -2.91 107.32 104.13 1uf0 s GLY 86 Ca 0.57 -0.18 0.00 0.00 0.00 0.00 0.00 44.72 45.11 1uf0 s GLY 86 CO 0.40 -0.32 0.00 -1.26 0.00 0.00 0.00 173.10 171.92 1uf0 n SER 87 N -0.28 0.00 -1.11 1.64 2.88 -1.26 0.10 113.62 115.59 1uf0 n SER 87 Ca -0.13 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.38 1uf0 n SER 87 Cb 0.63 0.02 0.20 0.00 -0.75 0.00 0.00 64.21 64.31 1uf0 n SER 87 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1uf0 n ILE 88 N -1.69 2.52 -4.60 2.46 -5.35 -1.26 -4.73 119.36 106.71 1uf0 n ILE 88 Ca 0.00 -2.88 -0.22 0.00 -0.27 0.00 0.00 62.75 59.38 1uf0 n ILE 88 Cb 0.00 -0.33 -0.15 0.00 -1.74 0.00 0.00 39.64 37.42 1uf0 n ILE 88 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1uf0 s GLU 89 N -3.27 1.17 0.49 6.28 2.56 -1.26 -5.14 118.70 119.53 1uf0 s GLU 89 Ca 0.44 -0.46 -0.22 0.00 0.00 0.00 0.00 54.97 54.73 1uf0 s GLU 89 Cb 0.40 -1.10 -0.07 0.00 2.00 0.00 0.00 34.13 35.37 1uf0 s GLU 89 CO -0.02 0.24 1.21 -1.25 -0.56 0.00 0.00 175.26 174.88 1uf0 s PRO 90 N -0.14 3.58 0.15 4.30 0.04 -1.26 -4.94 135.00 136.74 1uf0 s PRO 90 Ca 0.02 1.87 -0.31 0.00 0.04 0.00 0.00 61.00 62.61 1uf0 s PRO 90 Cb -0.07 -2.34 -0.11 0.00 0.04 0.00 0.00 34.50 32.02 1uf0 s PRO 90 CO 0.00 -0.72 1.81 0.12 0.04 0.00 0.00 177.00 178.25 1uf0 s PHE 91 N -1.50 2.37 -0.16 0.56 2.19 -1.26 -4.96 117.98 115.21 1uf0 s PHE 91 Ca 0.66 0.07 -0.04 0.00 0.33 0.00 0.00 56.93 57.95 1uf0 s PHE 91 Cb -0.31 -4.18 -0.03 0.00 -1.31 0.00 0.00 43.02 37.19 1uf0 s PHE 91 CO 0.37 -4.76 -0.02 0.15 1.83 0.00 0.00 175.22 172.79 1uf0 s LYS 92 N 2.25 3.71 -0.57 10.12 1.02 -1.26 -5.07 119.74 129.94 1uf0 s LYS 92 Ca 0.79 -0.50 -0.28 0.00 0.02 0.00 0.00 55.97 56.01 1uf0 s LYS 92 Cb -0.48 -2.97 0.03 0.00 -0.52 0.00 0.00 37.83 33.89 1uf0 s LYS 92 CO 0.35 0.22 1.15 0.15 -0.92 0.00 0.00 175.35 176.30 1uf0 s LYS 93 N 0.43 3.50 0.18 1.68 -0.14 -1.26 -4.77 119.74 119.36 1uf0 s LYS 93 Ca -0.03 0.19 0.02 0.00 -1.36 0.00 0.00 55.97 54.79 1uf0 s LYS 93 Cb -0.14 -4.01 -0.05 0.00 -1.68 0.00 0.00 37.83 31.95 1uf0 s LYS 93 CO 0.02 -1.63 0.01 -0.51 -0.76 0.00 0.00 175.35 172.48 1uf0 s LEU 94 N 4.77 2.06 -0.76 3.17 1.43 -1.26 -5.11 118.68 122.98 1uf0 s LEU 94 Ca 0.41 -1.19 -0.16 0.00 -1.03 0.00 0.00 54.13 52.16 1uf0 s LEU 94 Cb -0.08 -0.05 0.18 0.00 0.03 0.00 0.00 46.19 46.27 1uf0 s LEU 94 CO 0.25 -0.58 0.76 -1.61 0.23 0.00 0.00 176.35 175.39 1uf0 s GLU 95 N -3.93 3.42 -0.18 1.70 2.02 -1.26 -4.86 118.70 115.61 1uf0 s GLU 95 Ca 0.25 -2.08 -0.17 0.00 0.02 0.00 0.00 54.97 52.99 1uf0 s GLU 95 Cb 0.06 -4.45 -0.13 0.00 0.10 0.00 0.00 34.13 29.71 1uf0 s GLU 95 CO 0.05 -1.40 0.07 1.88 0.02 0.00 0.00 175.26 175.88 1uf0 h TYR 96 N 8.31 0.00 -0.17 1.61 -1.99 -1.97 -3.37 116.97 119.39 1uf0 h TYR 96 Ca -0.01 0.00 0.05 0.00 2.00 0.00 0.00 58.73 60.77 1uf0 h TYR 96 Cb 1.06 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.78 1uf0 h TYR 96 CO 0.97 0.93 0.17 1.79 -0.00 0.00 0.00 178.16 182.02 1uf0 h THR 97 N -1.00 0.59 -0.86 -2.88 1.35 -1.89 -1.38 112.91 106.84 1uf0 h THR 97 Ca -0.22 0.00 0.09 0.00 -0.55 0.00 0.00 66.41 65.73 1uf0 h THR 97 Cb 1.00 0.87 -0.06 0.00 -1.73 0.00 0.00 68.15 68.23 1uf0 h THR 97 CO -0.13 0.00 0.56 0.50 -0.25 0.00 0.00 175.52 176.20 1uf0 h LYS 98 N 0.00 0.85 -0.63 4.72 3.64 -1.96 -0.76 116.57 122.43 1uf0 h LYS 98 Ca 0.08 -0.05 -0.24 0.00 -1.27 0.00 0.00 60.65 59.17 1uf0 h LYS 98 Cb 0.41 -0.19 -0.14 0.00 -0.41 0.00 0.00 32.23 31.90 1uf0 h LYS 98 CO -0.00 0.56 0.23 0.09 -2.27 0.00 0.00 179.45 178.06 1uf0 n ASN 99 N -4.51 3.91 -3.80 4.20 3.02 -0.53 -4.93 115.26 112.61 1uf0 n ASN 99 Ca 0.14 -3.41 -0.13 0.00 -0.03 0.00 0.00 54.58 51.16 1uf0 n ASN 99 Cb 0.28 -0.71 -0.13 0.00 -0.61 0.00 0.00 39.78 38.61 1uf0 n ASN 99 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1uf0 s VAL 100 N -3.10 -0.01 0.11 2.41 1.01 -0.29 -5.01 120.40 115.52 1uf0 s VAL 100 Ca 0.51 0.03 -0.31 0.00 0.00 0.00 0.00 61.98 62.22 1uf0 s VAL 100 Cb 0.43 -0.23 -0.10 0.00 0.00 0.00 0.00 36.38 36.48 1uf0 s VAL 100 CO 0.09 0.01 1.72 0.20 0.00 0.00 0.00 175.10 177.13 1uf0 s ASN 101 N 0.30 6.51 0.02 3.32 0.02 -1.26 -4.77 114.94 119.08 1uf0 s ASN 101 Ca -0.02 2.64 0.20 0.00 -1.02 0.00 0.00 52.86 54.66 1uf0 s ASN 101 Cb -0.03 -2.57 0.82 0.00 0.02 0.00 0.00 41.25 39.49 1uf0 s ASN 101 CO -0.01 -0.94 1.62 -0.81 0.02 0.00 0.00 177.10 176.98 1uf0 n PRO 102 N 5.36 0.02 -1.07 -0.60 -0.04 -1.26 -2.95 135.00 134.46 1uf0 n PRO 102 Ca 0.16 0.19 -0.19 0.00 -0.04 0.00 0.00 63.50 63.63 1uf0 n PRO 102 Cb 0.39 -1.53 0.18 0.00 -0.04 0.00 0.00 33.50 32.50 1uf0 n PRO 102 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1uf0 n ASN 103 N -1.57 3.84 0.26 3.54 6.94 -1.26 -4.48 115.26 122.54 1uf0 n ASN 103 Ca 0.04 -3.37 0.11 0.00 -0.02 0.00 0.00 54.58 51.34 1uf0 n ASN 103 Cb 0.23 -0.79 0.72 0.00 -2.36 0.00 0.00 39.78 37.58 1uf0 n ASN 103 CO 0.00 0.00 0.00 4.11 -1.03 0.00 0.00 177.26 180.34 1uf0 h TRP 104 N 1.18 0.00 -1.07 -2.53 5.08 -1.94 -2.68 115.95 113.99 1uf0 h TRP 104 Ca 0.51 0.00 -0.54 0.00 1.08 0.00 0.00 58.89 59.94 1uf0 h TRP 104 Cb 2.59 0.00 -0.21 0.00 -3.00 0.00 0.00 29.16 28.54 1uf0 h TRP 104 CO 1.38 0.09 0.63 0.43 -1.28 0.00 0.00 178.44 179.69 1uf0 n SER 105 N -3.92 6.93 0.00 0.11 7.64 -1.26 -3.59 113.62 119.53 1uf0 n SER 105 Ca -0.02 -3.41 0.00 0.00 1.01 0.00 0.00 58.87 56.45 1uf0 n SER 105 Cb 0.19 -1.10 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 1uf0 n SER 105 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1uf0 n VAL 106 N 0.10 0.00 -1.70 0.44 0.31 -1.02 -4.93 118.33 111.53 1uf0 n VAL 106 Ca 0.48 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.62 1uf0 n VAL 106 Cb 0.52 -0.11 0.10 0.00 -0.91 0.00 0.00 33.84 33.44 1uf0 n VAL 106 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1uf0 n ASN 107 N -2.10 4.53 -3.39 4.52 2.85 -1.19 -4.41 115.26 116.07 1uf0 n ASN 107 Ca 0.00 -3.78 -0.17 0.00 -0.11 0.00 0.00 54.58 50.52 1uf0 n ASN 107 Cb 0.00 -0.56 -0.09 0.00 1.24 0.00 0.00 39.78 40.36 1uf0 n ASN 107 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1uf0 s VAL 108 N -4.16 -0.40 -1.32 3.44 1.01 -1.24 -4.90 120.40 112.83 1uf0 s VAL 108 Ca 0.51 -0.55 -0.08 0.00 0.00 0.00 0.00 61.98 61.86 1uf0 s VAL 108 Cb 0.43 -0.95 0.01 0.00 0.00 0.00 0.00 36.38 35.87 1uf0 s VAL 108 CO 0.01 -0.48 1.15 0.29 0.00 0.00 0.00 175.10 176.07 1uf0 n LYS 109 N 5.17 -7.72 0.00 2.72 4.01 -1.26 -4.85 118.16 116.23 1uf0 n LYS 109 Ca -0.00 0.82 0.00 0.00 -0.51 0.00 0.00 58.31 58.62 1uf0 n LYS 109 Cb 0.46 -5.83 0.00 0.00 -0.51 0.00 0.00 35.03 29.15 1uf0 n LYS 109 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1uf0 n THR 110 N -4.87 0.00 -2.34 -0.18 -1.04 -1.26 -5.06 114.28 99.53 1uf0 n THR 110 Ca -0.03 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1uf0 n THR 110 Cb 0.57 -1.11 -0.00 0.00 -1.82 0.00 0.00 70.33 67.97 1uf0 n THR 110 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1uf0 n SER 111 N -2.78 -9.16 0.00 8.00 2.88 -1.26 -5.01 113.62 106.29 1uf0 n SER 111 Ca 0.00 1.82 0.00 0.00 -1.33 0.00 0.00 58.87 59.36 1uf0 n SER 111 Cb 0.40 -5.16 0.00 0.00 -0.75 0.00 0.00 64.21 58.70 1uf0 n SER 111 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uf0 n GLY 112 N 1.80 0.72 3.77 0.46 0.00 -1.26 -5.11 105.19 105.57 1uf0 n GLY 112 Ca -0.02 -0.67 -0.32 0.00 0.00 0.00 0.00 46.02 45.02 1uf0 n GLY 112 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uf0 s PRO 113 N -0.16 2.59 -0.57 1.61 0.04 -1.26 -5.02 135.00 132.23 1uf0 s PRO 113 Ca 0.00 1.27 -0.02 0.00 0.04 0.00 0.00 61.00 62.29 1uf0 s PRO 113 Cb 0.00 -1.93 0.15 0.00 0.04 0.00 0.00 34.50 32.76 1uf0 s PRO 113 CO 0.00 -1.40 0.38 0.45 0.04 0.00 0.00 177.00 176.46 1uf0 s SER 114 N -2.99 5.17 -1.27 6.66 0.15 -1.26 -5.02 113.70 115.15 1uf0 s SER 114 Ca 0.64 -2.69 -0.17 0.00 0.70 0.00 0.00 55.95 54.42 1uf0 s SER 114 Cb -0.19 -1.83 0.09 0.00 -1.71 0.00 0.00 66.02 62.38 1uf0 s SER 114 CO 0.48 -0.39 1.67 -0.44 1.20 0.00 0.00 173.24 175.75 1uf0 s SER 115 N 0.85 6.88 0.00 5.45 0.01 -1.26 -5.25 113.70 120.38 1uf0 s SER 115 Ca 0.15 -2.54 0.26 0.00 1.31 0.00 0.00 55.95 55.13 1uf0 s SER 115 Cb -0.21 -2.54 0.60 0.00 0.21 0.00 0.00 66.02 64.08 1uf0 s SER 115 CO -0.03 -1.09 1.49 0.61 0.41 0.00 0.00 173.24 174.63