#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uf0 s SER 2 N 0.00 0.95 0.37 1.61 1.04 -1.26 -5.11 113.70 111.30 1uf0 s SER 2 Ca 0.00 -1.09 0.00 0.00 0.48 0.00 0.00 55.95 55.34 1uf0 s SER 2 Cb 0.00 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.27 1uf0 s SER 2 CO 0.00 -0.56 0.00 -0.24 0.98 0.00 0.00 173.24 173.42 1uf0 n SER 3 N -0.10 -8.62 0.00 7.02 2.88 -1.26 -5.05 113.62 108.49 1uf0 n SER 3 Ca -0.09 0.67 0.00 0.00 -1.33 0.00 0.00 58.87 58.12 1uf0 n SER 3 Cb 0.62 -4.45 0.00 0.00 -0.75 0.00 0.00 64.21 59.64 1uf0 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uf0 n GLY 4 N -4.27 2.53 3.93 0.46 0.00 -1.26 -5.16 105.19 101.43 1uf0 n GLY 4 Ca -0.00 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 1uf0 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uf0 s SER 5 N 0.00 6.37 0.05 1.61 1.04 -1.26 -5.09 113.70 116.41 1uf0 s SER 5 Ca 0.00 0.33 -0.21 0.00 0.48 0.00 0.00 55.95 56.54 1uf0 s SER 5 Cb 0.00 -1.98 0.07 0.00 0.10 0.00 0.00 66.02 64.22 1uf0 s SER 5 CO 0.00 -0.04 0.99 -1.54 0.98 0.00 0.00 173.24 173.64 1uf0 n SER 6 N -0.75 -1.20 0.00 7.02 3.41 -1.26 -5.07 113.62 115.78 1uf0 n SER 6 Ca -0.06 -1.44 0.00 0.00 -0.26 0.00 0.00 58.87 57.11 1uf0 n SER 6 Cb 0.54 1.90 0.00 0.00 -0.26 0.00 0.00 64.21 66.40 1uf0 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uf0 n GLY 7 N -0.71 2.64 3.40 5.00 0.00 -1.26 -5.03 105.19 109.23 1uf0 n GLY 7 Ca 0.01 -0.74 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 1uf0 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uf0 s LYS 8 N 0.00 2.93 -0.30 1.61 -0.14 -1.26 -4.96 119.74 117.62 1uf0 s LYS 8 Ca 0.00 -1.23 -0.12 0.00 -1.36 0.00 0.00 55.97 53.25 1uf0 s LYS 8 Cb 0.00 -4.02 0.18 0.00 -1.68 0.00 0.00 37.83 32.31 1uf0 s LYS 8 CO 0.00 -0.91 1.08 0.15 -0.76 0.00 0.00 175.35 174.92 1uf0 s LYS 9 N 1.63 0.11 -0.03 1.68 -0.14 -1.26 -5.16 119.74 116.57 1uf0 s LYS 9 Ca 0.04 0.07 0.01 0.00 -1.36 0.00 0.00 55.97 54.73 1uf0 s LYS 9 Cb -0.22 0.04 0.02 0.00 -1.68 0.00 0.00 37.83 35.99 1uf0 s LYS 9 CO 0.07 -0.20 -0.03 0.00 -0.76 0.00 0.00 175.35 174.44 1uf0 s ALA 10 N 2.75 0.50 -0.32 5.17 0.00 -1.26 -4.35 121.76 124.25 1uf0 s ALA 10 Ca 0.26 0.03 -0.10 0.00 0.00 0.00 0.00 51.96 52.15 1uf0 s ALA 10 Cb -0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 1uf0 s ALA 10 CO -0.21 -0.02 0.18 0.15 0.00 0.00 0.00 175.76 175.86 1uf0 s LYS 11 N 0.86 3.34 -0.17 0.00 1.02 -0.82 -4.88 119.74 119.10 1uf0 s LYS 11 Ca -0.10 -0.73 -0.29 0.00 0.02 0.00 0.00 55.97 54.87 1uf0 s LYS 11 Cb -0.13 -3.64 -0.01 0.00 -0.52 0.00 0.00 37.83 33.54 1uf0 s LYS 11 CO -0.01 -0.44 1.12 0.15 -0.92 0.00 0.00 175.35 175.25 1uf0 s LYS 12 N 1.64 4.29 -0.04 1.68 -0.14 -1.26 -2.15 119.74 123.77 1uf0 s LYS 12 Ca 0.05 1.50 -0.01 0.00 -1.36 0.00 0.00 55.97 56.15 1uf0 s LYS 12 Cb -0.17 -3.65 0.03 0.00 -1.68 0.00 0.00 37.83 32.36 1uf0 s LYS 12 CO 0.07 -0.57 0.03 0.14 -0.76 0.00 0.00 175.35 174.26 1uf0 s VAL 13 N 2.94 0.07 -0.17 3.17 -7.23 -0.97 0.13 120.40 118.34 1uf0 s VAL 13 Ca 0.50 0.23 -0.12 0.00 -1.81 0.00 0.00 61.98 60.78 1uf0 s VAL 13 Cb -0.19 -0.24 -0.05 0.00 0.56 0.00 0.00 36.38 36.47 1uf0 s VAL 13 CO 0.13 0.16 0.21 -0.60 -0.31 0.00 0.00 175.10 174.69 1uf0 s ARG 14 N 1.56 4.15 -0.13 4.82 3.52 -0.51 -1.10 118.95 131.27 1uf0 s ARG 14 Ca -0.02 -0.05 0.00 0.00 -0.13 0.00 0.00 55.73 55.52 1uf0 s ARG 14 Cb -0.13 -3.40 -0.01 0.00 -1.56 0.00 0.00 34.95 29.85 1uf0 s ARG 14 CO -0.03 0.32 -0.14 -0.06 -0.81 0.00 0.00 175.30 174.58 1uf0 s PHE 15 N 0.26 2.79 0.57 5.12 0.08 0.45 -0.80 117.98 126.45 1uf0 s PHE 15 Ca 0.13 -0.66 0.06 0.00 0.12 0.00 0.00 56.93 56.57 1uf0 s PHE 15 Cb -0.12 -1.83 0.06 0.00 -0.57 0.00 0.00 43.02 40.55 1uf0 s PHE 15 CO 0.02 -0.22 0.47 0.66 -0.10 0.00 0.00 175.22 176.05 1uf0 n TYR 16 N 3.50 -0.77 -4.30 0.36 4.01 -0.53 -2.16 117.16 117.27 1uf0 n TYR 16 Ca -0.18 -2.37 -0.34 0.00 -0.16 0.00 0.00 57.90 54.85 1uf0 n TYR 16 Cb 0.53 -0.48 -0.12 0.00 -0.31 0.00 0.00 39.34 38.96 1uf0 n TYR 16 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1uf0 s ARG 17 N -4.37 3.66 -0.04 -0.72 3.52 -1.26 -2.02 118.95 117.71 1uf0 s ARG 17 Ca 0.36 -0.52 -0.30 0.00 -0.13 0.00 0.00 55.73 55.15 1uf0 s ARG 17 Cb -0.03 -2.96 -0.06 0.00 -1.56 0.00 0.00 34.95 30.34 1uf0 s ARG 17 CO 0.23 0.18 1.64 1.21 -0.81 0.00 0.00 175.30 177.75 1uf0 s ASN 18 N 0.54 6.67 0.00 -2.12 2.47 -1.07 -2.61 114.94 118.83 1uf0 s ASN 18 Ca -0.02 2.25 0.00 0.00 0.42 0.00 0.00 52.86 55.51 1uf0 s ASN 18 Cb -0.14 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.12 1uf0 s ASN 18 CO 0.02 -0.91 0.00 0.61 -3.72 0.00 0.00 177.10 173.11 1uf0 n GLY 19 N 4.09 0.81 3.04 1.21 0.00 -1.26 -4.80 105.19 108.28 1uf0 n GLY 19 Ca 0.17 -0.64 -0.02 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.78 -0.64 -0.03 1.61 -1.08 -1.07 -5.02 116.67 107.66 1uf0 s ASP 20 Ca 0.00 0.40 0.12 0.00 -0.52 0.00 0.00 52.55 52.55 1uf0 s ASP 20 Cb 0.00 1.66 -0.23 0.00 -1.46 0.00 0.00 42.92 42.89 1uf0 s ASP 20 CO 0.00 -0.29 0.73 0.08 0.52 0.00 0.00 175.17 176.21 1uf0 h ARG 21 N 8.08 0.00 -0.20 4.34 0.11 -1.92 -3.34 114.38 121.45 1uf0 h ARG 21 Ca -0.17 -0.00 0.03 0.00 0.10 0.00 0.00 59.98 59.93 1uf0 h ARG 21 Cb 1.16 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.23 1uf0 h ARG 21 CO 0.25 0.55 0.14 1.88 0.10 0.00 0.00 179.97 182.89 1uf0 h TYR 22 N 0.00 0.15 -2.53 4.08 -1.99 -1.95 -3.42 116.97 111.32 1uf0 h TYR 22 Ca -0.26 0.00 -0.53 0.00 2.00 0.00 0.00 58.73 59.94 1uf0 h TYR 22 Cb 1.99 -0.05 0.02 0.00 2.00 0.00 0.00 36.73 40.69 1uf0 h TYR 22 CO 0.00 0.09 1.12 0.12 -0.00 0.00 0.00 178.16 179.49 1uf0 s PHE 23 N -5.19 1.89 0.02 4.88 5.36 -1.25 -4.91 117.98 118.78 1uf0 s PHE 23 Ca -0.06 -0.06 -0.25 0.00 -0.96 0.00 0.00 56.93 55.60 1uf0 s PHE 23 Cb 0.18 -4.11 -0.18 0.00 -0.34 0.00 0.00 43.02 38.57 1uf0 s PHE 23 CO 0.70 -4.71 1.38 -0.22 -1.46 0.00 0.00 175.22 170.90 1uf0 h LYS 24 N 9.36 -0.12 0.00 10.12 3.64 -1.92 -3.47 116.57 134.18 1uf0 h LYS 24 Ca -0.45 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1uf0 h LYS 24 Cb 1.21 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1uf0 h LYS 24 CO 0.94 0.20 0.00 0.41 -2.27 0.00 0.00 179.45 178.73 1uf0 n GLY 25 N -0.27 3.84 3.45 5.01 0.00 -1.26 -4.90 105.19 111.05 1uf0 n GLY 25 Ca -0.08 -1.60 -0.30 0.00 0.00 0.00 0.00 46.02 44.04 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 -2.11 2.69 0.22 -0.61 2.07 -0.92 -4.96 121.20 117.59 1uf0 s ILE 26 Ca 0.00 -1.33 0.05 0.00 -1.41 0.00 0.00 60.65 57.96 1uf0 s ILE 26 Cb 0.00 -2.15 -0.03 0.00 0.13 0.00 0.00 42.46 40.41 1uf0 s ILE 26 CO 0.00 0.26 0.32 -0.69 -1.91 0.00 0.00 174.94 172.92 1uf0 s VAL 27 N -0.97 5.17 -0.08 4.00 1.01 -1.26 -0.41 120.40 127.85 1uf0 s VAL 27 Ca 0.15 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 61.13 1uf0 s VAL 27 Cb -0.10 -3.77 0.04 0.00 0.00 0.00 0.00 36.38 32.55 1uf0 s VAL 27 CO 0.06 -0.27 0.17 -0.31 0.00 0.00 0.00 175.10 174.74 1uf0 s TYR 28 N -1.94 -0.20 -0.78 5.22 1.51 -0.26 -4.94 117.35 115.96 1uf0 s TYR 28 Ca 0.34 0.57 -0.16 0.00 -1.01 0.00 0.00 57.07 56.81 1uf0 s TYR 28 Cb -0.09 -0.10 0.18 0.00 -0.11 0.00 0.00 41.96 41.83 1uf0 s TYR 28 CO 0.28 -0.21 0.80 0.00 -1.11 0.00 0.00 175.55 175.31 1uf0 s ALA 29 N 1.48 3.81 -0.68 3.71 0.00 -1.26 -2.29 121.76 126.53 1uf0 s ALA 29 Ca -0.06 -2.98 -0.26 0.00 0.00 0.00 0.00 51.96 48.66 1uf0 s ALA 29 Cb -0.12 -3.59 -0.01 0.00 0.00 0.00 0.00 23.12 19.40 1uf0 s ALA 29 CO -0.06 -2.39 1.72 0.42 0.00 0.00 0.00 175.76 175.44 1uf0 s ILE 30 N 1.16 3.46 0.08 0.00 -1.09 -0.91 -4.63 121.20 119.27 1uf0 s ILE 30 Ca 0.18 0.16 0.05 0.00 -2.23 0.00 0.00 60.65 58.82 1uf0 s ILE 30 Cb -0.13 -4.21 -0.03 0.00 -1.58 0.00 0.00 42.46 36.51 1uf0 s ILE 30 CO -0.06 -1.17 -0.14 -0.44 -1.23 0.00 0.00 174.94 171.91 1uf0 s SER 31 N 6.99 1.71 0.46 3.58 0.01 -1.26 -1.95 113.70 123.24 1uf0 s SER 31 Ca 0.59 -0.66 0.22 0.00 1.31 0.00 0.00 55.95 57.42 1uf0 s SER 31 Cb -0.11 -0.05 1.23 0.00 0.21 0.00 0.00 66.02 67.31 1uf0 s SER 31 CO 0.16 -0.10 1.88 -0.65 0.41 0.00 0.00 173.24 174.95 1uf0 h PRO 32 N 4.13 0.24 0.06 12.44 0.11 -1.76 0.68 132.00 147.90 1uf0 h PRO 32 Ca -0.40 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.61 1uf0 h PRO 32 Cb 1.19 -0.05 0.01 0.00 0.11 0.00 0.00 31.00 32.26 1uf0 h PRO 32 CO 0.42 0.16 -0.33 -0.44 -0.21 0.00 0.00 178.00 177.60 1uf0 h ASP 33 N 0.25 0.20 0.00 -2.05 5.19 -1.96 -3.41 116.42 114.64 1uf0 h ASP 33 Ca 0.43 -0.97 0.00 0.00 -0.62 0.00 0.00 57.03 55.87 1uf0 h ASP 33 Cb 1.31 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.76 1uf0 h ASP 33 CO -0.11 1.15 0.00 0.54 -3.12 0.00 0.00 179.24 177.71 1uf0 n ARG 34 N -4.41 0.00 -4.22 3.56 1.74 -0.71 -4.88 116.66 107.74 1uf0 n ARG 34 Ca -0.12 0.31 -0.24 0.00 -0.77 0.00 0.00 57.85 57.03 1uf0 n ARG 34 Cb 0.62 -1.20 -0.07 0.00 -1.02 0.00 0.00 32.46 30.79 1uf0 n ARG 34 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1uf0 s PHE 35 N -1.88 2.84 0.00 -1.55 0.40 0.15 -4.96 117.98 112.98 1uf0 s PHE 35 Ca 0.00 -0.16 0.00 0.00 -0.60 0.00 0.00 56.93 56.17 1uf0 s PHE 35 Cb 0.00 -1.32 0.00 0.00 0.51 0.00 0.00 43.02 42.21 1uf0 s PHE 35 CO 0.00 0.56 0.00 0.54 0.70 0.00 0.00 175.22 177.02 1uf0 n ARG 36 N -0.60 0.00 -4.31 0.44 5.12 -1.26 -3.87 116.66 112.18 1uf0 n ARG 36 Ca -0.08 0.00 -0.25 0.00 -1.93 0.00 0.00 57.85 55.58 1uf0 n ARG 36 Cb 0.57 -0.28 -0.09 0.00 -1.16 0.00 0.00 32.46 31.51 1uf0 n ARG 36 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1uf0 s SER 37 N -4.44 4.23 0.30 0.55 0.01 -1.26 -4.98 113.70 108.10 1uf0 s SER 37 Ca 0.00 -1.13 0.09 0.00 1.31 0.00 0.00 55.95 56.22 1uf0 s SER 37 Cb 0.00 -0.47 0.45 0.00 0.21 0.00 0.00 66.02 66.20 1uf0 s SER 37 CO 0.00 -0.44 1.68 0.15 0.41 0.00 0.00 173.24 175.03 1uf0 h PHE 38 N 1.61 0.13 -0.13 2.43 3.57 -1.97 -2.87 116.94 119.71 1uf0 h PHE 38 Ca -0.43 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.00 1uf0 h PHE 38 Cb 1.25 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.95 1uf0 h PHE 38 CO 0.67 0.59 -0.04 0.93 -2.23 0.00 0.00 178.31 178.23 1uf0 h GLU 39 N 0.08 0.19 -0.02 1.11 5.08 -1.98 -1.05 114.58 118.00 1uf0 h GLU 39 Ca 0.00 -0.03 -0.17 0.00 -1.00 0.00 0.00 59.36 58.16 1uf0 h GLU 39 Cb 0.92 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 1uf0 h GLU 39 CO 0.07 0.25 -0.77 0.00 -1.00 0.00 0.00 179.01 177.56 1uf0 h ALA 40 N 1.78 0.68 0.01 3.43 0.00 -1.92 -2.70 119.26 120.53 1uf0 h ALA 40 Ca 0.04 -0.66 -0.19 0.00 0.00 0.00 0.00 54.91 54.10 1uf0 h ALA 40 Cb 0.20 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1uf0 h ALA 40 CO 0.01 0.87 -0.88 1.25 0.00 0.00 0.00 179.25 180.49 1uf0 h LEU 41 N 0.09 0.14 -0.48 0.00 5.85 -1.33 -2.89 115.31 116.69 1uf0 h LEU 41 Ca -0.02 -0.12 -0.17 0.00 0.84 0.00 0.00 57.88 58.41 1uf0 h LEU 41 Cb 1.35 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.33 1uf0 h LEU 41 CO 0.11 0.95 -0.70 -0.07 -0.34 0.00 0.00 178.44 178.39 1uf0 h LEU 42 N 0.05 0.38 -0.63 2.25 3.38 -1.20 -1.15 115.31 118.39 1uf0 h LEU 42 Ca -0.03 -0.25 -0.15 0.00 0.09 0.00 0.00 57.88 57.55 1uf0 h LEU 42 Cb 1.53 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 42.15 1uf0 h LEU 42 CO 0.13 0.96 -0.67 0.00 0.09 0.00 0.00 178.44 178.95 1uf0 h ALA 43 N 1.03 0.85 0.13 1.53 0.00 -1.50 -1.91 119.26 119.39 1uf0 h ALA 43 Ca -0.02 -0.60 -0.29 0.00 0.00 0.00 0.00 54.91 54.00 1uf0 h ALA 43 Cb 1.25 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1uf0 h ALA 43 CO 0.11 0.81 -1.35 0.22 0.00 0.00 0.00 179.25 179.04 1uf0 h ASP 44 N 0.06 0.42 -0.23 0.00 3.58 -1.45 -3.04 116.42 115.76 1uf0 h ASP 44 Ca -0.01 -0.49 -0.17 0.00 0.42 0.00 0.00 57.03 56.77 1uf0 h ASP 44 Cb 1.19 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 42.10 1uf0 h ASP 44 CO 0.09 1.39 -0.51 -0.07 -2.88 0.00 0.00 179.24 177.27 1uf0 h LEU 45 N 0.07 0.89 -1.05 2.28 3.38 -1.20 -3.06 115.31 116.62 1uf0 h LEU 45 Ca -0.17 -0.46 -0.10 0.00 0.09 0.00 0.00 57.88 57.24 1uf0 h LEU 45 Cb 1.99 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.48 1uf0 h LEU 45 CO 0.19 1.24 -0.40 0.74 0.09 0.00 0.00 178.44 180.29 1uf0 h THR 46 N 0.63 1.30 -0.09 0.22 2.02 -1.45 0.66 112.91 116.20 1uf0 h THR 46 Ca 0.02 -1.46 -0.04 0.00 0.77 0.00 0.00 66.41 65.70 1uf0 h THR 46 Cb 1.10 1.71 -0.01 0.00 -1.74 0.00 0.00 68.15 69.20 1uf0 h THR 46 CO 0.11 0.43 -0.14 -0.09 0.37 0.00 0.00 175.52 176.20 1uf0 h ARG 47 N 0.12 0.14 0.00 6.66 2.43 -1.43 -3.33 114.38 118.96 1uf0 h ARG 47 Ca 0.01 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 1uf0 h ARG 47 Cb 0.77 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.29 1uf0 h ARG 47 CO 0.06 0.29 -1.15 0.25 -1.51 0.00 0.00 179.97 177.91 1uf0 n THR 48 N -4.30 1.47 -3.17 0.20 -2.24 -1.04 -4.86 114.28 100.35 1uf0 n THR 48 Ca -0.01 0.08 -0.45 0.00 -2.27 0.00 0.00 64.05 61.40 1uf0 n THR 48 Cb 0.25 -2.24 -0.04 0.00 -2.10 0.00 0.00 70.33 66.20 1uf0 n THR 48 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1uf0 s LEU 49 N -7.79 5.64 -0.34 3.22 1.43 0.23 -4.86 118.68 116.22 1uf0 s LEU 49 Ca -0.28 -1.59 -0.07 0.00 -1.03 0.00 0.00 54.13 51.16 1uf0 s LEU 49 Cb 0.05 -2.28 0.22 0.00 0.03 0.00 0.00 46.19 44.22 1uf0 s LEU 49 CO 0.41 -1.03 1.12 -0.24 0.23 0.00 0.00 176.35 176.84 1uf0 n SER 50 N 5.97 -1.40 -4.95 2.29 2.88 -1.25 -4.07 113.62 113.09 1uf0 n SER 50 Ca -0.09 -0.98 -0.19 0.00 -1.33 0.00 0.00 58.87 56.28 1uf0 n SER 50 Cb 0.42 0.71 -0.01 0.00 -0.75 0.00 0.00 64.21 64.58 1uf0 n SER 50 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1uf0 s ASP 51 N 0.87 5.58 0.16 -3.46 -1.08 -0.19 -4.93 116.67 113.61 1uf0 s ASP 51 Ca 0.24 -0.42 -0.12 0.00 -0.52 0.00 0.00 52.55 51.73 1uf0 s ASP 51 Cb 0.14 -0.88 0.03 0.00 -1.46 0.00 0.00 42.92 40.75 1uf0 s ASP 51 CO -0.11 -0.56 1.63 -1.13 0.52 0.00 0.00 175.17 175.52 1uf0 h ASN 52 N 0.90 0.88 0.02 -0.34 -0.00 -1.87 -2.54 115.58 112.64 1uf0 h ASN 52 Ca -0.43 -0.28 -0.00 0.00 -0.00 0.00 0.00 56.30 55.59 1uf0 h ASN 52 Cb 1.27 -0.23 0.00 0.00 -0.00 0.00 0.00 38.32 39.35 1uf0 h ASN 52 CO 0.52 0.94 -0.01 0.58 -0.00 0.00 0.00 177.43 179.46 1uf0 h VAL 53 N 0.78 1.45 -3.67 2.57 2.07 -1.96 -3.37 116.25 114.12 1uf0 h VAL 53 Ca 0.16 -1.77 -0.66 0.00 0.82 0.00 0.00 66.70 65.25 1uf0 h VAL 53 Cb 0.46 2.59 -0.22 0.00 -1.52 0.00 0.00 31.29 32.60 1uf0 h VAL 53 CO 0.02 0.43 -0.59 0.20 0.02 0.00 0.00 177.57 177.65 1uf0 s ASN 54 N -5.93 5.36 -0.86 0.57 0.01 -1.23 -4.63 114.94 108.23 1uf0 s ASN 54 Ca -0.16 -0.33 -0.03 0.00 -0.71 0.00 0.00 52.86 51.63 1uf0 s ASN 54 Cb -0.01 -1.97 -0.04 0.00 0.41 0.00 0.00 41.25 39.65 1uf0 s ASN 54 CO 0.62 -0.10 0.78 0.18 -1.51 0.00 0.00 177.10 177.06 1uf0 n LEU 55 N 4.95 -5.87 0.22 0.60 4.77 -1.25 -1.03 117.00 119.39 1uf0 n LEU 55 Ca -0.15 -0.42 -0.14 0.00 -0.03 0.00 0.00 56.01 55.27 1uf0 n LEU 55 Cb 0.50 -3.10 -0.07 0.00 -2.33 0.00 0.00 43.42 38.42 1uf0 n LEU 55 CO 0.32 -0.38 0.52 -0.65 -1.33 0.00 0.00 177.39 175.87 1uf0 h PRO 56 N -0.42 -0.73 -0.46 3.23 0.11 -1.61 -2.84 132.00 129.28 1uf0 h PRO 56 Ca -0.34 0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.78 1uf0 h PRO 56 Cb 1.17 0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.42 1uf0 h PRO 56 CO 0.36 -0.49 0.11 1.96 -0.21 0.00 0.00 178.00 179.73 1uf0 h GLN 57 N -0.76 0.69 0.00 1.05 7.50 -1.92 -3.44 115.11 118.22 1uf0 h GLN 57 Ca -0.05 -0.13 0.00 0.00 0.50 0.00 0.00 58.65 58.98 1uf0 h GLN 57 Cb 0.66 -0.11 0.00 0.00 0.05 0.00 0.00 27.48 28.08 1uf0 h GLN 57 CO -0.05 0.63 0.00 0.41 -1.50 0.00 0.00 178.83 178.32 1uf0 n GLY 58 N -0.95 0.50 3.26 3.46 0.00 -1.08 -5.07 105.19 105.31 1uf0 n GLY 58 Ca 0.03 -1.35 -0.33 0.00 0.00 0.00 0.00 46.02 44.38 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 -3.91 2.47 0.00 1.61 0.11 -1.26 -4.46 120.40 114.97 1uf0 s VAL 59 Ca 0.00 -0.85 0.00 0.00 -2.93 0.00 0.00 61.98 58.20 1uf0 s VAL 59 Cb 0.00 -2.01 0.00 0.00 -1.53 0.00 0.00 36.38 32.84 1uf0 s VAL 59 CO 0.00 0.53 0.00 0.54 -3.33 0.00 0.00 175.10 172.84 1uf0 n ARG 60 N 3.81 0.00 -3.94 1.54 1.74 -1.26 -4.92 116.66 113.63 1uf0 n ARG 60 Ca -0.19 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.55 1uf0 n ARG 60 Cb 0.52 -0.29 -0.14 0.00 -1.02 0.00 0.00 32.46 31.53 1uf0 n ARG 60 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1uf0 s THR 61 N -1.78 2.84 -0.34 0.55 2.01 -1.15 -5.05 115.64 112.71 1uf0 s THR 61 Ca 0.00 -1.40 -0.12 0.00 0.31 0.00 0.00 61.69 60.48 1uf0 s THR 61 Cb 0.00 -2.62 -0.01 0.00 0.01 0.00 0.00 72.50 69.88 1uf0 s THR 61 CO 0.00 -0.07 0.22 -0.63 -0.69 0.00 0.00 174.62 173.45 1uf0 s ILE 62 N 1.23 5.00 0.70 1.82 1.01 -1.26 -2.33 121.20 127.37 1uf0 s ILE 62 Ca -0.06 -0.40 0.01 0.00 0.00 0.00 0.00 60.65 60.20 1uf0 s ILE 62 Cb -0.20 -3.61 0.12 0.00 0.01 0.00 0.00 42.46 38.78 1uf0 s ILE 62 CO -0.02 -0.05 0.96 -0.31 0.00 0.00 0.00 174.94 175.52 1uf0 s TYR 63 N 1.67 1.58 0.80 3.97 2.02 -0.34 0.63 117.35 127.67 1uf0 s TYR 63 Ca 0.05 -0.34 -0.06 0.00 -0.37 0.00 0.00 57.07 56.35 1uf0 s TYR 63 Cb -0.18 -2.88 0.15 0.00 -0.40 0.00 0.00 41.96 38.65 1uf0 s TYR 63 CO 0.09 -1.62 1.11 0.95 -1.57 0.00 0.00 175.55 174.51 1uf0 s THR 64 N -3.07 2.10 0.54 -0.71 -4.23 -1.04 -1.16 115.64 108.07 1uf0 s THR 64 Ca 0.65 -0.36 0.28 0.00 -1.18 0.00 0.00 61.69 61.08 1uf0 s THR 64 Cb -0.05 -2.74 0.33 0.00 1.34 0.00 0.00 72.50 71.38 1uf0 s THR 64 CO 0.43 0.00 2.20 -0.29 -0.54 0.00 0.00 174.62 176.42 1uf0 h ILE 65 N -0.92 0.58 0.00 2.99 6.09 -1.90 -2.94 117.51 121.41 1uf0 h ILE 65 Ca -0.40 -0.16 -0.30 0.00 -1.37 0.00 0.00 64.86 62.63 1uf0 h ILE 65 Cb 1.26 1.10 -0.05 0.00 0.47 0.00 0.00 36.82 39.60 1uf0 h ILE 65 CO 0.41 0.04 -2.12 0.47 -3.07 0.00 0.00 178.15 173.88 1uf0 n ASP 66 N -3.84 1.59 0.00 2.19 9.92 -1.26 -4.96 116.55 120.19 1uf0 n ASP 66 Ca -0.03 -0.04 0.00 0.00 -0.53 0.00 0.00 54.79 54.19 1uf0 n ASP 66 Cb 0.13 0.43 0.00 0.00 -0.64 0.00 0.00 41.12 41.04 1uf0 n ASP 66 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1uf0 n GLY 67 N 2.21 1.81 0.13 0.44 0.00 -1.11 -5.02 105.19 103.66 1uf0 n GLY 67 Ca -0.30 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.49 1uf0 n GLY 67 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1uf0 h LEU 68 N 0.00 0.65 -9.02 0.99 3.38 -1.96 -3.47 115.31 105.88 1uf0 h LEU 68 Ca 0.00 -0.78 -0.42 0.00 0.09 0.00 0.00 57.88 56.77 1uf0 h LEU 68 Cb 0.02 -0.21 -0.14 0.00 0.09 0.00 0.00 40.66 40.42 1uf0 h LEU 68 CO 0.00 1.63 -0.57 -0.54 0.09 0.00 0.00 178.44 179.05 1uf0 s LYS 69 N -2.61 1.59 -0.05 1.13 1.02 -1.26 -5.05 119.74 114.52 1uf0 s LYS 69 Ca -0.10 -1.90 0.02 0.00 0.02 0.00 0.00 55.97 54.01 1uf0 s LYS 69 Cb 0.05 -0.25 0.01 0.00 -0.52 0.00 0.00 37.83 37.13 1uf0 s LYS 69 CO 0.90 -0.40 -0.11 -1.59 -0.92 0.00 0.00 175.35 173.23 1uf0 s LYS 70 N -3.86 1.41 -0.08 1.68 -2.85 -1.26 -2.49 119.74 112.29 1uf0 s LYS 70 Ca 0.35 -0.37 -0.30 0.00 -1.00 0.00 0.00 55.97 54.66 1uf0 s LYS 70 Cb 0.06 -1.22 -0.04 0.00 -2.06 0.00 0.00 37.83 34.56 1uf0 s LYS 70 CO 0.16 0.06 1.50 0.42 0.10 0.00 0.00 175.35 177.59 1uf0 s ILE 71 N 0.51 3.81 -0.10 3.79 -1.09 0.20 -4.86 121.20 123.46 1uf0 s ILE 71 Ca -0.10 1.01 0.09 0.00 -2.23 0.00 0.00 60.65 59.42 1uf0 s ILE 71 Cb -0.13 -3.65 -0.12 0.00 -1.58 0.00 0.00 42.46 36.97 1uf0 s ILE 71 CO 0.02 -0.08 0.02 -0.24 -1.23 0.00 0.00 174.94 173.44 1uf0 n SER 72 N 6.70 2.49 -3.42 3.58 2.88 -1.26 -4.25 113.62 120.35 1uf0 n SER 72 Ca 0.16 -0.01 -0.21 0.00 -1.33 0.00 0.00 58.87 57.48 1uf0 n SER 72 Cb 0.43 0.69 -0.06 0.00 -0.75 0.00 0.00 64.21 64.52 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 -2.42 0.98 0.11 -3.46 7.64 -1.26 -4.96 113.62 110.25 1uf0 n SER 73 Ca -0.17 -2.83 -0.20 0.00 1.01 0.00 0.00 58.87 56.68 1uf0 n SER 73 Cb 0.83 0.93 -0.15 0.00 -1.01 0.00 0.00 64.21 64.81 1uf0 n SER 73 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1uf0 h LEU 74 N 0.00 0.59 -1.96 -3.43 3.38 -1.94 -3.29 115.31 108.66 1uf0 h LEU 74 Ca -0.26 -0.69 0.00 0.00 0.09 0.00 0.00 57.88 57.02 1uf0 h LEU 74 Cb 1.02 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 1uf0 h LEU 74 CO 0.41 1.56 0.03 -0.78 0.09 0.00 0.00 178.44 179.74 1uf0 h ASP 75 N 0.10 0.05 -0.17 -0.43 1.82 -1.98 -1.26 116.42 114.55 1uf0 h ASP 75 Ca -0.23 -0.00 0.02 0.00 -0.39 0.00 0.00 57.03 56.43 1uf0 h ASP 75 Cb 2.07 -0.01 -0.01 0.00 0.68 0.00 0.00 39.33 42.06 1uf0 h ASP 75 CO 0.22 0.03 0.12 1.56 -1.61 0.00 0.00 179.24 179.56 1uf0 h GLN 76 N 0.06 0.15 -7.28 0.28 1.08 -1.99 -3.43 115.11 103.98 1uf0 h GLN 76 Ca 0.02 -0.01 -0.49 0.00 -1.45 0.00 0.00 58.65 56.72 1uf0 h GLN 76 Cb 0.00 -0.03 0.17 0.00 -0.05 0.00 0.00 27.48 27.57 1uf0 h GLN 76 CO -0.00 0.10 0.21 -0.51 -0.95 0.00 0.00 178.83 177.67 1uf0 s LEU 77 N -9.16 2.28 0.03 1.46 1.43 -0.48 -5.06 118.68 109.18 1uf0 s LEU 77 Ca -0.06 1.74 0.02 0.00 -1.03 0.00 0.00 54.13 54.80 1uf0 s LEU 77 Cb 0.17 -4.10 -0.02 0.00 0.03 0.00 0.00 46.19 42.28 1uf0 s LEU 77 CO 0.69 -2.96 -0.06 -0.69 0.23 0.00 0.00 176.35 173.56 1uf0 s VAL 78 N -2.77 0.45 -0.61 -1.59 1.01 -1.26 -5.08 120.40 110.56 1uf0 s VAL 78 Ca 0.65 -0.80 -0.26 0.00 0.00 0.00 0.00 61.98 61.56 1uf0 s VAL 78 Cb -0.20 -0.49 -0.06 0.00 0.00 0.00 0.00 36.38 35.62 1uf0 s VAL 78 CO 0.58 -0.25 2.18 -0.70 0.00 0.00 0.00 175.10 176.92 1uf0 s GLU 79 N -1.13 2.25 0.00 2.72 2.12 -1.26 -3.43 118.70 119.97 1uf0 s GLU 79 Ca -0.07 0.85 0.00 0.00 0.36 0.00 0.00 54.97 56.11 1uf0 s GLU 79 Cb -0.08 -4.59 0.00 0.00 0.26 0.00 0.00 34.13 29.72 1uf0 s GLU 79 CO 0.00 -3.27 0.00 0.41 -0.54 0.00 0.00 175.26 171.86 1uf0 n GLY 80 N 6.09 0.77 3.34 -1.50 0.00 0.12 -4.77 105.19 109.24 1uf0 n GLY 80 Ca 0.33 -0.72 -0.09 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.07 1.12 0.20 1.61 0.41 -0.94 -5.03 118.70 114.00 1uf0 s GLU 81 Ca 0.00 -0.99 0.10 0.00 -0.41 0.00 0.00 54.97 53.67 1uf0 s GLU 81 Cb 0.00 0.41 -0.04 0.00 -1.78 0.00 0.00 34.13 32.72 1uf0 s GLU 81 CO 0.00 -0.42 -0.15 -1.12 -0.49 0.00 0.00 175.26 173.08 1uf0 s SER 82 N -2.90 3.91 -0.04 -0.19 0.01 -1.26 -1.42 113.70 111.81 1uf0 s SER 82 Ca 0.11 -0.74 -0.24 0.00 1.31 0.00 0.00 55.95 56.38 1uf0 s SER 82 Cb 0.03 -0.52 0.05 0.00 0.21 0.00 0.00 66.02 65.79 1uf0 s SER 82 CO -0.05 0.09 0.53 -0.31 0.41 0.00 0.00 173.24 173.92 1uf0 s TYR 83 N -1.84 -0.47 -0.14 2.43 1.51 0.02 -3.68 117.35 115.17 1uf0 s TYR 83 Ca 0.25 0.81 -0.06 0.00 -1.01 0.00 0.00 57.07 57.07 1uf0 s TYR 83 Cb -0.08 0.28 -0.04 0.00 -0.11 0.00 0.00 41.96 42.02 1uf0 s TYR 83 CO 0.14 -0.51 0.06 0.08 -1.11 0.00 0.00 175.55 174.20 1uf0 s VAL 84 N -1.18 4.78 -0.22 0.71 1.01 -0.31 -1.45 120.40 123.74 1uf0 s VAL 84 Ca -0.12 -0.05 -0.18 0.00 0.00 0.00 0.00 61.98 61.63 1uf0 s VAL 84 Cb -0.02 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 1uf0 s VAL 84 CO 0.07 0.54 0.50 0.00 0.00 0.00 0.00 175.10 176.21 1uf0 s GLY 86 N 1.25 -0.07 -0.02 0.00 0.00 -0.99 -2.58 107.32 104.91 1uf0 s GLY 86 Ca 0.22 0.32 -0.01 0.00 0.00 0.00 0.00 44.72 45.25 1uf0 s GLY 86 CO 0.09 0.31 0.04 -0.45 0.00 0.00 0.00 173.10 173.09 1uf0 s SER 87 N 0.15 -0.01 -1.08 1.64 0.15 -1.26 -2.96 113.70 110.33 1uf0 s SER 87 Ca -0.01 0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.73 1uf0 s SER 87 Cb -0.02 0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.34 1uf0 s SER 87 CO -0.00 -0.06 0.00 -0.38 1.20 0.00 0.00 173.24 174.00 1uf0 n ILE 88 N 3.47 -0.59 -3.60 6.45 2.08 -1.26 -4.79 119.36 121.12 1uf0 n ILE 88 Ca -0.18 0.00 -0.15 0.00 0.56 0.00 0.00 62.75 62.98 1uf0 n ILE 88 Cb 0.56 -1.78 -0.07 0.00 -0.75 0.00 0.00 39.64 37.60 1uf0 n ILE 88 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 1uf0 s GLU 89 N -5.01 0.89 0.00 0.38 -1.05 -1.26 -5.14 118.70 107.52 1uf0 s GLU 89 Ca 0.00 0.66 0.00 0.00 -0.15 0.00 0.00 54.97 55.48 1uf0 s GLU 89 Cb 0.00 0.43 0.00 0.00 -0.44 0.00 0.00 34.13 34.12 1uf0 s GLU 89 CO 0.00 -0.19 0.00 -2.30 0.95 0.00 0.00 175.26 173.72 1uf0 n PRO 90 N 1.99 0.82 -4.22 -4.83 -0.02 -1.26 -4.93 135.00 122.54 1uf0 n PRO 90 Ca -0.16 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 60.98 1uf0 n PRO 90 Cb 0.56 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.94 1uf0 n PRO 90 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1uf0 s PHE 91 N -0.14 3.17 -0.20 6.00 2.19 -1.26 -4.89 117.98 122.84 1uf0 s PHE 91 Ca 0.00 -0.00 -0.05 0.00 0.33 0.00 0.00 56.93 57.21 1uf0 s PHE 91 Cb 0.00 -1.96 -0.02 0.00 -1.31 0.00 0.00 43.02 39.72 1uf0 s PHE 91 CO 0.00 0.19 -0.00 0.15 1.83 0.00 0.00 175.22 177.39 1uf0 s LYS 92 N 0.01 3.61 -0.41 10.12 1.02 -1.26 -5.07 119.74 127.76 1uf0 s LYS 92 Ca 0.03 -0.52 -0.24 0.00 0.02 0.00 0.00 55.97 55.26 1uf0 s LYS 92 Cb -0.13 -3.07 0.02 0.00 -0.52 0.00 0.00 37.83 34.13 1uf0 s LYS 92 CO 0.02 0.01 0.84 0.21 -0.92 0.00 0.00 175.35 175.51 1uf0 s LYS 93 N 0.99 3.62 0.08 1.68 2.20 -1.26 -4.76 119.74 122.29 1uf0 s LYS 93 Ca 0.02 0.21 0.01 0.00 -0.36 0.00 0.00 55.97 55.85 1uf0 s LYS 93 Cb -0.14 -3.87 -0.04 0.00 -1.51 0.00 0.00 37.83 32.27 1uf0 s LYS 93 CO 0.02 -1.03 -0.05 -0.51 -0.36 0.00 0.00 175.35 173.41 1uf0 s LEU 94 N 3.38 2.49 -1.19 5.43 1.43 -1.26 -5.08 118.68 123.89 1uf0 s LEU 94 Ca 0.34 -0.98 -0.20 0.00 -1.03 0.00 0.00 54.13 52.26 1uf0 s LEU 94 Cb -0.12 0.02 0.07 0.00 0.03 0.00 0.00 46.19 46.19 1uf0 s LEU 94 CO 0.21 -0.50 1.61 -1.61 0.23 0.00 0.00 176.35 176.29 1uf0 s GLU 95 N -3.73 3.84 -0.05 1.70 2.02 -1.26 -4.77 118.70 116.44 1uf0 s GLU 95 Ca 0.09 -1.70 -0.01 0.00 0.02 0.00 0.00 54.97 53.36 1uf0 s GLU 95 Cb 0.05 -5.44 -0.00 0.00 0.10 0.00 0.00 34.13 28.84 1uf0 s GLU 95 CO -0.06 -2.21 -0.03 1.88 0.02 0.00 0.00 175.26 174.86 1uf0 h TYR 96 N 8.39 0.00 -0.39 1.61 0.05 -1.95 -3.36 116.97 121.32 1uf0 h TYR 96 Ca 0.35 0.00 0.11 0.00 0.05 0.00 0.00 58.73 59.24 1uf0 h TYR 96 Cb 0.92 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.65 1uf0 h TYR 96 CO 1.36 0.00 0.39 1.79 -1.05 0.00 0.00 178.16 180.64 1uf0 h THR 97 N -0.45 0.46 -0.24 -2.88 1.35 -1.95 0.59 112.91 109.79 1uf0 h THR 97 Ca 0.00 0.00 0.07 0.00 -0.55 0.00 0.00 66.41 65.93 1uf0 h THR 97 Cb 0.07 0.70 -0.01 0.00 -1.73 0.00 0.00 68.15 67.19 1uf0 h THR 97 CO 0.00 0.00 0.17 0.50 -0.25 0.00 0.00 175.52 175.94 1uf0 h LYS 98 N 0.00 0.02 -0.50 4.72 3.64 -1.94 0.30 116.57 122.81 1uf0 h LYS 98 Ca 0.19 -0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.31 1uf0 h LYS 98 Cb 0.96 -0.01 -0.15 0.00 -0.41 0.00 0.00 32.23 32.62 1uf0 h LYS 98 CO -0.00 0.01 0.09 0.09 -2.27 0.00 0.00 179.45 177.38 1uf0 n ASN 99 N -4.47 2.84 0.00 4.20 3.02 0.20 -4.56 115.26 116.48 1uf0 n ASN 99 Ca 0.03 -3.71 0.00 0.00 -0.03 0.00 0.00 54.58 50.86 1uf0 n ASN 99 Cb 0.31 -0.68 0.00 0.00 -0.61 0.00 0.00 39.78 38.79 1uf0 n ASN 99 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1uf0 n VAL 100 N -1.09 0.00 -1.41 2.41 0.31 -0.26 -4.94 118.33 113.35 1uf0 n VAL 100 Ca 0.39 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.73 1uf0 n VAL 100 Cb 1.19 -0.18 -0.00 0.00 -0.91 0.00 0.00 33.84 33.93 1uf0 n VAL 100 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1uf0 n ASN 101 N -1.88 -7.62 -4.35 4.52 4.13 0.90 -4.36 115.26 106.61 1uf0 n ASN 101 Ca 0.00 1.68 -0.23 0.00 1.68 0.00 0.00 54.58 57.72 1uf0 n ASN 101 Cb 0.00 -4.49 -0.11 0.00 -1.54 0.00 0.00 39.78 33.64 1uf0 n ASN 101 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 1uf0 n PRO 102 N -2.57 0.32 -3.28 3.52 -0.02 -1.26 -4.68 135.00 127.02 1uf0 n PRO 102 Ca -0.00 -1.68 -0.08 0.00 -2.02 0.00 0.00 63.50 59.71 1uf0 n PRO 102 Cb 0.45 -3.62 -0.04 0.00 -0.02 0.00 0.00 33.50 30.26 1uf0 n PRO 102 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1uf0 s ASN 103 N 7.89 -0.18 0.00 2.55 3.04 -1.26 -4.94 114.94 122.03 1uf0 s ASN 103 Ca 0.77 -1.21 0.00 0.00 0.04 0.00 0.00 52.86 52.46 1uf0 s ASN 103 Cb -0.00 1.25 0.00 0.00 -1.54 0.00 0.00 41.25 40.96 1uf0 s ASN 103 CO 0.21 -0.21 0.00 -2.67 -3.04 0.00 0.00 177.10 171.39 1uf0 n TRP 104 N 4.30 0.00 -1.00 0.43 4.27 -1.26 -4.97 117.44 119.20 1uf0 n TRP 104 Ca 0.11 0.00 -0.24 0.00 -3.89 0.00 0.00 57.50 53.48 1uf0 n TRP 104 Cb 0.51 0.00 0.08 0.00 -1.36 0.00 0.00 31.31 30.54 1uf0 n TRP 104 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 1uf0 n SER 105 N -0.47 6.15 0.00 -0.67 2.88 -1.26 -3.78 113.62 116.47 1uf0 n SER 105 Ca 0.00 -3.39 0.00 0.00 -1.33 0.00 0.00 58.87 54.15 1uf0 n SER 105 Cb 0.00 -0.94 0.00 0.00 -0.75 0.00 0.00 64.21 62.52 1uf0 n SER 105 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1uf0 n VAL 106 N -0.44 0.00 0.18 2.46 0.31 -1.26 -4.86 118.33 114.71 1uf0 n VAL 106 Ca 0.47 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.85 1uf0 n VAL 106 Cb 0.83 -0.32 0.27 0.00 -0.91 0.00 0.00 33.84 33.71 1uf0 n VAL 106 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 1uf0 h ASN 107 N 0.00 0.00 -4.04 4.52 -0.73 -1.96 -3.49 115.58 109.88 1uf0 h ASN 107 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1uf0 h ASN 107 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.59 1uf0 h ASN 107 CO 0.00 0.39 -0.62 0.52 -0.37 0.00 0.00 177.43 177.35 1uf0 n VAL 108 N -3.42 -9.40 0.06 2.57 0.31 -1.25 -4.92 118.33 102.29 1uf0 n VAL 108 Ca 0.00 2.10 -0.08 0.00 -0.01 0.00 0.00 64.34 66.35 1uf0 n VAL 108 Cb 0.56 -4.76 -0.12 0.00 -0.91 0.00 0.00 33.84 28.61 1uf0 n VAL 108 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1uf0 h LYS 109 N 2.74 0.03 0.00 5.55 3.64 -1.96 -3.47 116.57 123.10 1uf0 h LYS 109 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1uf0 h LYS 109 Cb 0.00 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1uf0 h LYS 109 CO 0.00 1.00 0.00 2.41 -2.27 0.00 0.00 179.45 180.59 1uf0 n THR 110 N -3.36 0.00 -4.70 1.00 -1.04 -1.26 -4.92 114.28 100.01 1uf0 n THR 110 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1uf0 n THR 110 Cb 0.95 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.46 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 1.70 -5.55 0.00 8.00 2.88 -1.26 -5.00 113.62 114.39 1uf0 n SER 111 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1uf0 n SER 111 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 0.00 5.59 0.40 0.46 0.00 -1.26 -5.06 105.19 105.32 1uf0 n GLY 112 Ca 0.00 -1.47 -0.14 0.00 0.00 0.00 0.00 46.02 44.41 1uf0 n GLY 112 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1uf0 h PRO 113 N 0.00 -0.57 0.00 1.61 0.11 -2.06 -3.44 132.00 127.65 1uf0 h PRO 113 Ca 0.00 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1uf0 h PRO 113 Cb 0.00 0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.24 1uf0 h PRO 113 CO 0.00 -0.38 0.00 0.43 -0.21 0.00 0.00 178.00 177.84 1uf0 n SER 114 N -5.45 0.00 -4.62 -2.05 7.64 -1.26 -4.62 113.62 103.25 1uf0 n SER 114 Ca -0.06 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.53 1uf0 n SER 114 Cb 0.37 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.48 1uf0 n SER 114 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1uf0 s SER 115 N -4.00 3.75 0.00 6.43 1.04 -1.26 -5.26 113.70 114.40 1uf0 s SER 115 Ca 0.00 -1.51 0.00 0.00 0.48 0.00 0.00 55.95 54.92 1uf0 s SER 115 Cb 0.00 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.20 1uf0 s SER 115 CO 0.00 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.16