#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 5.26 0.60 1.61 1.04 -1.26 -5.02 113.70 115.92 1uf0 s SER 2 Ca 0.00 -1.95 0.00 0.00 0.48 0.00 0.00 55.95 54.48 1uf0 s SER 2 Cb 0.00 -1.83 0.00 0.00 0.10 0.00 0.00 66.02 64.29 1uf0 s SER 2 CO 0.00 -0.53 0.00 -1.20 0.98 0.00 0.00 173.24 172.49 1uf0 n SER 3 N 4.62 -8.13 -1.71 7.02 7.64 -1.26 -4.98 113.62 116.82 1uf0 n SER 3 Ca -0.03 1.36 -0.02 0.00 1.01 0.00 0.00 58.87 61.19 1uf0 n SER 3 Cb 0.42 -4.94 0.01 0.00 -1.01 0.00 0.00 64.21 58.69 1uf0 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uf0 n GLY 4 N -4.36 0.65 3.60 0.23 0.00 -1.26 -4.94 105.19 99.12 1uf0 n GLY 4 Ca -0.08 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 1uf0 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uf0 s SER 5 N -3.05 5.63 -0.27 1.61 0.01 -1.26 -4.87 113.70 111.50 1uf0 s SER 5 Ca 0.06 1.57 -0.06 0.00 1.31 0.00 0.00 55.95 58.82 1uf0 s SER 5 Cb -0.01 -2.52 -0.00 0.00 0.21 0.00 0.00 66.02 63.70 1uf0 s SER 5 CO 0.09 -1.87 0.04 -0.44 0.41 0.00 0.00 173.24 171.47 1uf0 s SER 6 N 7.35 4.89 -0.10 2.44 0.01 -1.26 -4.90 113.70 122.13 1uf0 s SER 6 Ca 0.90 -0.54 -0.07 0.00 1.31 0.00 0.00 55.95 57.55 1uf0 s SER 6 Cb -0.27 -1.84 -0.05 0.00 0.21 0.00 0.00 66.02 64.07 1uf0 s SER 6 CO 0.34 -0.12 -0.16 0.61 0.41 0.00 0.00 173.24 174.33 1uf0 n GLY 7 N 4.85 -0.21 0.53 3.44 0.00 -1.26 -4.84 105.19 107.70 1uf0 n GLY 7 Ca -0.16 -0.08 0.04 0.00 0.00 0.00 0.00 46.02 45.82 1uf0 n GLY 7 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1uf0 n LYS 8 N -3.64 0.55 -3.64 1.61 4.81 -1.26 -4.99 118.16 111.59 1uf0 n LYS 8 Ca -0.20 -1.86 -0.23 0.00 -0.87 0.00 0.00 58.31 55.15 1uf0 n LYS 8 Cb 0.57 -0.84 0.06 0.00 0.02 0.00 0.00 35.03 34.84 1uf0 n LYS 8 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1uf0 n LYS 9 N -0.47 -6.54 -2.14 1.64 4.81 -1.26 -4.38 118.16 109.81 1uf0 n LYS 9 Ca 0.08 0.75 0.00 0.00 -0.87 0.00 0.00 58.31 58.26 1uf0 n LYS 9 Cb 0.75 -5.66 0.00 0.00 0.02 0.00 0.00 35.03 30.13 1uf0 n LYS 9 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1uf0 n ALA 10 N -4.58 -2.09 -1.76 3.14 0.00 -1.26 -4.90 120.51 109.06 1uf0 n ALA 10 Ca -0.12 0.46 -0.39 0.00 0.00 0.00 0.00 53.44 53.39 1uf0 n ALA 10 Cb 0.60 -1.39 0.01 0.00 0.00 0.00 0.00 19.45 18.68 1uf0 n ALA 10 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1uf0 s LYS 11 N -0.74 3.70 -0.41 0.00 1.02 0.91 -4.72 119.74 119.50 1uf0 s LYS 11 Ca 0.00 2.19 -0.06 0.00 0.02 0.00 0.00 55.97 58.12 1uf0 s LYS 11 Cb 0.00 -2.58 0.09 0.00 -0.52 0.00 0.00 37.83 34.82 1uf0 s LYS 11 CO 0.00 -0.73 0.22 0.15 -0.92 0.00 0.00 175.35 174.08 1uf0 s LYS 12 N -2.49 2.36 -0.11 1.68 -0.14 -1.26 0.07 119.74 119.84 1uf0 s LYS 12 Ca 0.62 -1.61 0.01 0.00 -1.36 0.00 0.00 55.97 53.63 1uf0 s LYS 12 Cb -0.39 -3.67 -0.02 0.00 -1.68 0.00 0.00 37.83 32.08 1uf0 s LYS 12 CO 0.49 -0.99 -0.14 0.14 -0.76 0.00 0.00 175.35 174.08 1uf0 s VAL 13 N 1.30 2.99 -0.02 3.17 -7.23 -0.80 -1.65 120.40 118.16 1uf0 s VAL 13 Ca 0.04 -0.70 -0.04 0.00 -1.81 0.00 0.00 61.98 59.48 1uf0 s VAL 13 Cb -0.23 -2.23 -0.04 0.00 0.56 0.00 0.00 36.38 34.43 1uf0 s VAL 13 CO -0.01 0.54 0.20 -0.60 -0.31 0.00 0.00 175.10 174.92 1uf0 s ARG 14 N 0.15 3.47 -0.08 4.82 3.52 -0.75 -1.35 118.95 128.72 1uf0 s ARG 14 Ca -0.07 -0.24 0.00 0.00 -0.13 0.00 0.00 55.73 55.28 1uf0 s ARG 14 Cb -0.15 -3.10 0.02 0.00 -1.56 0.00 0.00 34.95 30.16 1uf0 s ARG 14 CO 0.05 0.68 -0.06 -0.06 -0.81 0.00 0.00 175.30 175.10 1uf0 s PHE 15 N -1.28 1.16 0.43 5.12 0.08 0.06 -1.24 117.98 122.30 1uf0 s PHE 15 Ca 0.26 -0.48 0.07 0.00 0.12 0.00 0.00 56.93 56.90 1uf0 s PHE 15 Cb -0.13 -1.01 -0.02 0.00 -0.57 0.00 0.00 43.02 41.30 1uf0 s PHE 15 CO 0.16 -0.37 0.34 0.71 -0.10 0.00 0.00 175.22 175.96 1uf0 s TYR 16 N 1.45 2.57 -0.20 0.36 2.02 -0.48 -1.87 117.35 121.20 1uf0 s TYR 16 Ca -0.01 -0.55 -0.20 0.00 -0.37 0.00 0.00 57.07 55.94 1uf0 s TYR 16 Cb -0.13 -2.10 -0.03 0.00 -0.40 0.00 0.00 41.96 39.30 1uf0 s TYR 16 CO -0.04 -0.10 0.58 1.03 -1.57 0.00 0.00 175.55 175.45 1uf0 s ARG 17 N -4.10 4.20 -0.60 -0.62 0.52 -1.26 -0.76 118.95 116.33 1uf0 s ARG 17 Ca 0.45 0.53 -0.26 0.00 -0.52 0.00 0.00 55.73 55.93 1uf0 s ARG 17 Cb -0.01 -3.57 -0.04 0.00 0.52 0.00 0.00 34.95 31.84 1uf0 s ARG 17 CO 0.26 -0.20 2.07 1.21 0.02 0.00 0.00 175.30 178.67 1uf0 s ASN 18 N 1.18 4.92 0.00 0.23 2.47 -1.12 -2.11 114.94 120.51 1uf0 s ASN 18 Ca 0.27 0.51 0.00 0.00 0.42 0.00 0.00 52.86 54.06 1uf0 s ASN 18 Cb -0.16 -2.52 0.00 0.00 -1.45 0.00 0.00 41.25 37.12 1uf0 s ASN 18 CO 0.10 -2.64 0.00 0.61 -3.72 0.00 0.00 177.10 171.46 1uf0 n GLY 19 N 5.92 1.97 2.91 1.21 0.00 -1.26 -4.93 105.19 111.02 1uf0 n GLY 19 Ca 0.28 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.20 1uf0 n GLY 19 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uf0 s ASP 20 N -2.00 0.26 0.28 1.61 1.01 -0.90 -4.99 116.67 111.94 1uf0 s ASP 20 Ca 0.00 -1.22 0.14 0.00 0.71 0.00 0.00 52.55 52.18 1uf0 s ASP 20 Cb 0.00 1.05 0.33 0.00 1.01 0.00 0.00 42.92 45.30 1uf0 s ASP 20 CO 0.00 -0.24 1.57 0.08 0.21 0.00 0.00 175.17 176.79 1uf0 h ARG 21 N 7.15 0.00 -0.26 8.23 0.11 -1.93 -3.12 114.38 124.57 1uf0 h ARG 21 Ca 0.04 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.09 1uf0 h ARG 21 Cb 1.10 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.17 1uf0 h ARG 21 CO 0.18 0.58 0.03 1.88 0.10 0.00 0.00 179.97 182.73 1uf0 h TYR 22 N 0.00 0.37 -3.96 4.08 -1.99 -1.95 -3.44 116.97 110.09 1uf0 h TYR 22 Ca -0.01 -0.02 -0.55 0.00 2.00 0.00 0.00 58.73 60.15 1uf0 h TYR 22 Cb 1.19 -0.11 0.13 0.00 2.00 0.00 0.00 36.73 39.93 1uf0 h TYR 22 CO 0.00 0.36 0.67 0.34 -0.00 0.00 0.00 178.16 179.53 1uf0 n PHE 23 N -4.36 2.58 -0.05 4.88 7.35 -1.18 -4.96 117.46 121.72 1uf0 n PHE 23 Ca 0.01 0.44 -0.09 0.00 -0.76 0.00 0.00 57.45 57.05 1uf0 n PHE 23 Cb 0.19 -2.43 -0.08 0.00 0.35 0.00 0.00 39.48 37.51 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 2.07 -0.02 0.00 -4.13 6.56 -1.89 -3.49 116.57 115.68 1uf0 h LYS 24 Ca -0.51 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.08 1uf0 h LYS 24 Cb 1.28 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.94 1uf0 h LYS 24 CO 0.60 0.55 0.00 0.41 -2.06 0.00 0.00 179.45 178.95 1uf0 n GLY 25 N 1.56 3.76 3.60 3.86 0.00 -1.26 -4.90 105.19 111.81 1uf0 n GLY 25 Ca -0.06 -1.55 -0.34 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.66 3.94 -0.11 -0.61 2.07 -0.78 -4.95 121.20 119.08 1uf0 s ILE 26 Ca 0.00 -0.38 -0.03 0.00 -1.41 0.00 0.00 60.65 58.83 1uf0 s ILE 26 Cb 0.00 -2.65 -0.03 0.00 0.13 0.00 0.00 42.46 39.91 1uf0 s ILE 26 CO 0.00 0.58 -0.01 -0.69 -1.91 0.00 0.00 174.94 172.92 1uf0 s VAL 27 N -0.62 4.23 0.05 4.00 1.01 -1.26 -0.76 120.40 127.05 1uf0 s VAL 27 Ca 0.10 -0.26 0.07 0.00 0.00 0.00 0.00 61.98 61.88 1uf0 s VAL 27 Cb -0.12 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 1uf0 s VAL 27 CO 0.02 0.56 -0.20 -0.31 0.00 0.00 0.00 175.10 175.17 1uf0 s TYR 28 N -0.46 1.75 -0.63 5.22 2.02 -0.46 -5.01 117.35 119.79 1uf0 s TYR 28 Ca 0.08 -0.38 -0.13 0.00 -0.37 0.00 0.00 57.07 56.27 1uf0 s TYR 28 Cb -0.12 -1.03 0.16 0.00 -0.40 0.00 0.00 41.96 40.57 1uf0 s TYR 28 CO 0.02 0.10 0.56 0.00 -1.57 0.00 0.00 175.55 174.67 1uf0 s ALA 29 N -0.85 3.75 -0.26 3.71 0.00 -1.26 -1.90 121.76 124.94 1uf0 s ALA 29 Ca 0.07 -2.86 -0.29 0.00 0.00 0.00 0.00 51.96 48.88 1uf0 s ALA 29 Cb -0.09 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 19.78 1uf0 s ALA 29 CO 0.02 -2.10 1.47 0.42 0.00 0.00 0.00 175.76 175.57 1uf0 s ILE 30 N 0.96 3.90 0.19 0.00 -1.09 0.11 -4.64 121.20 120.63 1uf0 s ILE 30 Ca 0.09 1.02 -0.12 0.00 -2.23 0.00 0.00 60.65 59.41 1uf0 s ILE 30 Cb -0.22 -3.93 0.00 0.00 -1.58 0.00 0.00 42.46 36.74 1uf0 s ILE 30 CO -0.02 -0.39 0.41 -0.44 -1.23 0.00 0.00 174.94 173.26 1uf0 s SER 31 N 3.58 -0.08 0.28 3.58 0.01 -1.26 -0.06 113.70 119.74 1uf0 s SER 31 Ca 0.64 -0.77 0.05 0.00 1.31 0.00 0.00 55.95 57.18 1uf0 s SER 31 Cb -0.21 0.52 0.40 0.00 0.21 0.00 0.00 66.02 66.94 1uf0 s SER 31 CO 0.27 -1.00 1.68 1.55 0.41 0.00 0.00 173.24 176.14 1uf0 h PRO 32 N 2.36 0.30 0.03 12.44 0.13 -1.91 -0.72 132.00 144.64 1uf0 h PRO 32 Ca -0.29 -0.15 -0.26 0.00 -0.87 0.00 0.00 66.00 64.43 1uf0 h PRO 32 Cb 1.24 -0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 1uf0 h PRO 32 CO 0.42 0.67 -1.33 0.38 -0.23 0.00 0.00 178.00 177.90 1uf0 h ASP 33 N 0.25 0.10 0.01 1.44 2.03 -1.97 -3.40 116.42 114.88 1uf0 h ASP 33 Ca 0.02 -0.13 -0.00 0.00 -0.73 0.00 0.00 57.03 56.19 1uf0 h ASP 33 Cb 0.84 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 39.31 1uf0 h ASP 33 CO 0.07 1.11 -0.01 0.03 -1.03 0.00 0.00 179.24 179.41 1uf0 h ARG 34 N 0.02 -0.02 -5.44 4.15 -0.00 -1.85 -3.46 114.38 107.77 1uf0 h ARG 34 Ca -0.15 0.00 -0.63 0.00 -0.50 0.00 0.00 59.98 58.70 1uf0 h ARG 34 Cb 1.90 0.00 -0.13 0.00 0.00 0.00 0.00 29.97 31.75 1uf0 h ARG 34 CO 0.12 -0.01 -0.54 -0.06 0.00 0.00 0.00 179.97 179.49 1uf0 s PHE 35 N -1.36 3.35 -0.19 3.04 0.40 -0.28 -4.96 117.98 117.96 1uf0 s PHE 35 Ca -0.00 0.24 -0.17 0.00 -0.60 0.00 0.00 56.93 56.40 1uf0 s PHE 35 Cb 0.00 -2.03 -0.20 0.00 0.51 0.00 0.00 43.02 41.30 1uf0 s PHE 35 CO 0.01 0.35 0.19 0.54 0.70 0.00 0.00 175.22 177.01 1uf0 n ARG 36 N 3.01 0.62 -4.19 0.44 1.74 -1.26 -4.25 116.66 112.76 1uf0 n ARG 36 Ca -0.17 0.47 -0.18 0.00 -0.77 0.00 0.00 57.85 57.19 1uf0 n ARG 36 Cb 0.53 -1.71 -0.06 0.00 -1.02 0.00 0.00 32.46 30.20 1uf0 n ARG 36 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1uf0 s SER 37 N -6.95 1.42 0.46 0.55 0.01 -1.26 -5.04 113.70 102.89 1uf0 s SER 37 Ca -0.28 -1.67 0.16 0.00 1.31 0.00 0.00 55.95 55.47 1uf0 s SER 37 Cb 0.07 0.62 1.07 0.00 0.21 0.00 0.00 66.02 67.99 1uf0 s SER 37 CO 0.63 -1.20 2.01 0.15 0.41 0.00 0.00 173.24 175.24 1uf0 h PHE 38 N 2.09 0.00 -0.22 2.43 3.57 -1.96 -2.10 116.94 120.75 1uf0 h PHE 38 Ca -0.26 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.28 1uf0 h PHE 38 Cb 1.23 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.96 1uf0 h PHE 38 CO 1.72 0.16 0.15 0.93 -2.23 0.00 0.00 178.31 179.04 1uf0 h GLU 39 N 0.00 0.12 0.05 1.11 4.39 -1.99 -0.60 114.58 117.66 1uf0 h GLU 39 Ca -0.00 -0.01 -0.26 0.00 0.34 0.00 0.00 59.36 59.43 1uf0 h GLU 39 Cb 0.29 -0.03 0.02 0.00 -0.10 0.00 0.00 28.75 28.94 1uf0 h GLU 39 CO 0.02 0.08 -1.06 0.00 -1.16 0.00 0.00 179.01 176.89 1uf0 h ALA 40 N 1.88 0.06 -0.07 3.43 0.00 -1.79 -2.13 119.26 120.65 1uf0 h ALA 40 Ca 0.10 -0.71 -0.08 0.00 0.00 0.00 0.00 54.91 54.21 1uf0 h ALA 40 Cb 0.23 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1uf0 h ALA 40 CO -0.01 0.64 -0.34 1.25 0.00 0.00 0.00 179.25 180.78 1uf0 h LEU 41 N 0.28 0.14 0.06 0.00 5.85 -1.34 -1.68 115.31 118.62 1uf0 h LEU 41 Ca -0.15 -0.05 -0.16 0.00 0.84 0.00 0.00 57.88 58.37 1uf0 h LEU 41 Cb 1.73 -0.04 0.02 0.00 0.37 0.00 0.00 40.66 42.74 1uf0 h LEU 41 CO 0.21 0.48 -0.66 -0.07 -0.34 0.00 0.00 178.44 178.06 1uf0 h LEU 42 N 0.12 0.48 -1.49 2.25 3.38 -1.17 -1.77 115.31 117.11 1uf0 h LEU 42 Ca 0.01 -0.84 -0.05 0.00 0.09 0.00 0.00 57.88 57.09 1uf0 h LEU 42 Cb 0.67 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1uf0 h LEU 42 CO 0.05 1.27 -0.16 0.00 0.09 0.00 0.00 178.44 179.69 1uf0 h ALA 43 N 0.21 1.58 0.04 1.53 0.00 -1.31 -1.83 119.26 119.48 1uf0 h ALA 43 Ca -0.10 -0.19 -0.25 0.00 0.00 0.00 0.00 54.91 54.37 1uf0 h ALA 43 Cb 1.43 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 1uf0 h ALA 43 CO 0.13 0.31 -1.25 -0.44 0.00 0.00 0.00 179.25 177.99 1uf0 h ASP 44 N 0.12 0.13 -0.29 0.00 5.19 -1.36 -2.91 116.42 117.30 1uf0 h ASP 44 Ca 0.02 -0.16 -0.13 0.00 -0.62 0.00 0.00 57.03 56.15 1uf0 h ASP 44 Cb 0.36 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.82 1uf0 h ASP 44 CO 0.02 1.13 -0.30 -0.07 -3.12 0.00 0.00 179.24 176.90 1uf0 h LEU 45 N 0.02 0.83 -0.33 1.55 3.38 -0.90 -2.91 115.31 116.94 1uf0 h LEU 45 Ca -0.12 -0.33 -0.18 0.00 0.09 0.00 0.00 57.88 57.34 1uf0 h LEU 45 Cb 1.88 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 42.39 1uf0 h LEU 45 CO 0.14 1.07 -0.84 0.74 0.09 0.00 0.00 178.44 179.63 1uf0 h THR 46 N 0.68 1.54 0.00 0.22 2.02 -1.44 0.79 112.91 116.72 1uf0 h THR 46 Ca 0.08 -2.71 -0.04 0.00 0.77 0.00 0.00 66.41 64.50 1uf0 h THR 46 Cb 0.83 2.49 -0.01 0.00 -1.74 0.00 0.00 68.15 69.72 1uf0 h THR 46 CO 0.07 0.78 -0.21 -0.09 0.37 0.00 0.00 175.52 176.45 1uf0 h ARG 47 N 0.05 0.00 0.00 6.66 2.43 -1.39 -3.18 114.38 118.95 1uf0 h ARG 47 Ca -0.02 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 58.84 1uf0 h ARG 47 Cb 1.47 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.97 1uf0 h ARG 47 CO 0.12 0.21 -2.08 0.25 -1.51 0.00 0.00 179.97 176.96 1uf0 n THR 48 N -4.28 1.08 -3.52 0.20 -2.24 -1.11 -4.80 114.28 99.60 1uf0 n THR 48 Ca -0.02 -0.35 -0.40 0.00 -2.27 0.00 0.00 64.05 61.00 1uf0 n THR 48 Cb 0.27 -1.43 -0.04 0.00 -2.10 0.00 0.00 70.33 67.03 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 -6.52 5.90 -0.30 3.22 1.43 0.27 -4.93 118.68 117.75 1uf0 s LEU 49 Ca -0.26 -3.48 -0.19 0.00 -1.03 0.00 0.00 54.13 49.17 1uf0 s LEU 49 Cb 0.08 -2.03 0.18 0.00 0.03 0.00 0.00 46.19 44.46 1uf0 s LEU 49 CO 0.39 -0.28 1.27 -0.55 0.23 0.00 0.00 176.35 177.42 1uf0 s SER 50 N 0.66 -0.06 0.00 2.29 0.15 -1.20 -4.21 113.70 111.33 1uf0 s SER 50 Ca 0.26 0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.97 1uf0 s SER 50 Cb -0.10 1.05 0.00 0.00 -1.71 0.00 0.00 66.02 65.27 1uf0 s SER 50 CO -0.10 -0.01 0.00 0.47 1.20 0.00 0.00 173.24 174.80 1uf0 n ASP 51 N 5.04 0.00 0.02 5.45 9.92 -1.21 -4.94 116.55 130.84 1uf0 n ASP 51 Ca -0.08 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.18 1uf0 n ASP 51 Cb 0.55 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.03 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 -1.01 -0.38 -0.01 -2.24 2.85 -1.26 -4.68 115.26 108.53 1uf0 n ASN 52 Ca 0.00 0.41 -0.02 0.00 -0.11 0.00 0.00 54.58 54.86 1uf0 n ASN 52 Cb 0.00 0.69 0.25 0.00 1.24 0.00 0.00 39.78 41.96 1uf0 n ASN 52 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 1uf0 h VAL 53 N 0.00 1.22 0.00 3.44 2.07 -1.99 -3.07 116.25 117.92 1uf0 h VAL 53 Ca 0.00 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.58 1uf0 h VAL 53 Cb 0.00 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1uf0 h VAL 53 CO 0.00 0.31 -0.14 0.78 0.02 0.00 0.00 177.57 178.55 1uf0 h ASN 54 N 0.52 0.00 -3.03 0.57 2.35 -1.97 -3.46 115.58 110.56 1uf0 h ASN 54 Ca 0.10 0.00 -0.60 0.00 -0.55 0.00 0.00 56.30 55.25 1uf0 h ASN 54 Cb 0.43 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 38.41 1uf0 h ASN 54 CO 0.02 0.23 -0.80 -0.76 -1.65 0.00 0.00 177.43 174.48 1uf0 s LEU 55 N -5.66 2.12 0.02 1.61 1.43 -1.26 -4.97 118.68 111.97 1uf0 s LEU 55 Ca -0.04 -2.63 -0.20 0.00 -1.03 0.00 0.00 54.13 50.23 1uf0 s LEU 55 Cb 0.01 -0.79 -0.18 0.00 0.03 0.00 0.00 46.19 45.26 1uf0 s LEU 55 CO 0.06 -0.25 1.23 1.55 0.23 0.00 0.00 176.35 179.16 1uf0 h PRO 56 N 6.58 0.41 -0.70 1.29 0.13 -1.81 -3.21 132.00 134.69 1uf0 h PRO 56 Ca 0.06 -0.31 -0.06 0.00 -0.87 0.00 0.00 66.00 64.82 1uf0 h PRO 56 Cb 0.93 0.06 -0.03 0.00 0.13 0.00 0.00 31.00 32.08 1uf0 h PRO 56 CO 0.41 0.94 0.19 1.96 -0.23 0.00 0.00 178.00 181.27 1uf0 h GLN 57 N -0.04 1.10 0.00 0.86 4.20 -1.94 -3.46 115.11 115.84 1uf0 h GLN 57 Ca -0.02 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.44 1uf0 h GLN 57 Cb 0.98 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.61 1uf0 h GLN 57 CO 0.07 0.96 0.00 0.41 -0.67 0.00 0.00 178.83 179.61 1uf0 n GLY 58 N -0.70 2.38 3.75 3.46 0.00 -1.24 -5.04 105.19 107.81 1uf0 n GLY 58 Ca 0.05 -2.12 -0.41 0.00 0.00 0.00 0.00 46.02 43.54 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 -2.03 2.61 0.00 1.61 0.11 -1.26 -4.32 120.40 117.12 1uf0 s VAL 59 Ca 0.00 0.53 0.00 0.00 -2.93 0.00 0.00 61.98 59.58 1uf0 s VAL 59 Cb 0.00 -3.34 0.00 0.00 -1.53 0.00 0.00 36.38 31.51 1uf0 s VAL 59 CO 0.00 0.09 0.00 -1.14 -3.33 0.00 0.00 175.10 170.72 1uf0 n ARG 60 N 1.94 0.00 -4.06 1.54 0.63 -0.68 -4.92 116.66 111.11 1uf0 n ARG 60 Ca 0.05 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.67 1uf0 n ARG 60 Cb 0.40 -0.11 -0.16 0.00 0.45 0.00 0.00 32.46 33.04 1uf0 n ARG 60 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1uf0 s THR 61 N -1.73 1.89 -0.20 5.15 2.01 -1.22 -5.04 115.64 116.50 1uf0 s THR 61 Ca 0.00 -1.03 -0.13 0.00 0.31 0.00 0.00 61.69 60.84 1uf0 s THR 61 Cb 0.00 -1.83 -0.05 0.00 0.01 0.00 0.00 72.50 70.63 1uf0 s THR 61 CO 0.00 0.33 0.27 -0.63 -0.69 0.00 0.00 174.62 173.90 1uf0 s ILE 62 N 1.32 5.30 0.23 1.82 1.01 -1.26 -2.54 121.20 127.08 1uf0 s ILE 62 Ca 0.01 0.46 0.07 0.00 0.00 0.00 0.00 60.65 61.18 1uf0 s ILE 62 Cb -0.15 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 1uf0 s ILE 62 CO -0.10 0.35 0.16 -0.31 0.00 0.00 0.00 174.94 175.04 1uf0 s TYR 63 N 0.84 3.09 0.90 3.97 1.51 -0.68 0.32 117.35 127.30 1uf0 s TYR 63 Ca 0.14 -0.09 -0.12 0.00 -1.01 0.00 0.00 57.07 55.99 1uf0 s TYR 63 Cb -0.13 -1.42 0.13 0.00 -0.11 0.00 0.00 41.96 40.43 1uf0 s TYR 63 CO 0.04 0.53 1.14 0.95 -1.11 0.00 0.00 175.55 177.10 1uf0 s THR 64 N -2.02 2.04 0.39 -0.71 -4.23 -0.92 -0.53 115.64 109.67 1uf0 s THR 64 Ca 0.32 0.01 0.19 0.00 -1.18 0.00 0.00 61.69 61.03 1uf0 s THR 64 Cb -0.08 -2.77 0.20 0.00 1.34 0.00 0.00 72.50 71.18 1uf0 s THR 64 CO 0.24 -0.02 1.96 -0.29 -0.54 0.00 0.00 174.62 175.97 1uf0 h ILE 65 N -1.47 0.94 0.03 2.99 6.09 -1.90 -2.63 117.51 121.55 1uf0 h ILE 65 Ca -0.50 -0.83 -0.25 0.00 -1.37 0.00 0.00 64.86 61.91 1uf0 h ILE 65 Cb 1.33 1.48 -0.03 0.00 0.47 0.00 0.00 36.82 40.07 1uf0 h ILE 65 CO 0.62 0.22 -1.25 -0.78 -3.07 0.00 0.00 178.15 173.89 1uf0 h ASP 66 N 0.00 0.09 -1.03 2.19 1.82 -1.92 -3.47 116.42 114.09 1uf0 h ASP 66 Ca -0.00 -0.11 0.00 0.00 -0.39 0.00 0.00 57.03 56.53 1uf0 h ASP 66 Cb 0.46 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.44 1uf0 h ASP 66 CO 0.03 1.09 0.00 0.61 -1.61 0.00 0.00 179.24 179.36 1uf0 n GLY 67 N 1.45 0.78 1.00 -0.78 0.00 -0.99 -5.01 105.19 101.63 1uf0 n GLY 67 Ca -0.07 -0.45 -0.01 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.51 0.41 -4.69 0.99 4.77 -1.26 -4.99 117.00 111.72 1uf0 n LEU 68 Ca 0.00 0.05 -0.28 0.00 -0.03 0.00 0.00 56.01 55.75 1uf0 n LEU 68 Cb 0.37 -0.13 -0.08 0.00 -2.33 0.00 0.00 43.42 41.26 1uf0 n LEU 68 CO 0.00 -0.24 -0.32 -0.75 -1.33 0.00 0.00 177.39 174.75 1uf0 s LYS 69 N -2.01 2.52 0.05 3.23 2.20 -1.26 -5.02 119.74 119.44 1uf0 s LYS 69 Ca -0.01 -0.96 0.06 0.00 -0.36 0.00 0.00 55.97 54.71 1uf0 s LYS 69 Cb 0.00 -2.47 -0.03 0.00 -1.51 0.00 0.00 37.83 33.82 1uf0 s LYS 69 CO 0.01 0.50 -0.15 -1.59 -0.36 0.00 0.00 175.35 173.76 1uf0 s LYS 70 N -2.67 2.15 0.08 4.03 -2.85 -1.26 -2.17 119.74 117.04 1uf0 s LYS 70 Ca 0.27 -0.95 -0.23 0.00 -1.00 0.00 0.00 55.97 54.06 1uf0 s LYS 70 Cb -0.10 -2.26 -0.06 0.00 -2.06 0.00 0.00 37.83 33.34 1uf0 s LYS 70 CO 0.19 0.54 0.68 0.42 0.10 0.00 0.00 175.35 177.28 1uf0 s ILE 71 N -0.99 4.67 -0.05 3.79 -1.09 0.15 -4.97 121.20 122.70 1uf0 s ILE 71 Ca 0.16 1.46 -0.04 0.00 -2.23 0.00 0.00 60.65 60.01 1uf0 s ILE 71 Cb -0.11 -4.03 -0.03 0.00 -1.58 0.00 0.00 42.46 36.72 1uf0 s ILE 71 CO 0.07 0.47 -0.09 -0.24 -1.23 0.00 0.00 174.94 173.93 1uf0 n SER 72 N 2.15 0.63 -1.98 3.58 2.88 -1.26 -4.07 113.62 115.55 1uf0 n SER 72 Ca -0.06 0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1uf0 n SER 72 Cb 0.50 -0.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 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 -3.38 1.34 0.01 -3.46 7.64 -1.26 -5.01 113.62 109.49 1uf0 n SER 73 Ca -0.12 -0.99 -0.10 0.00 1.01 0.00 0.00 58.87 58.68 1uf0 n SER 73 Cb 0.51 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.58 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 0.06 -1.87 -3.43 3.38 -1.97 -3.33 115.31 108.14 1uf0 h LEU 74 Ca 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1uf0 h LEU 74 Cb 0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1uf0 h LEU 74 CO 0.00 1.10 0.08 0.44 0.09 0.00 0.00 178.44 180.15 1uf0 h ASP 75 N 0.01 0.14 0.23 -0.43 3.32 -2.04 -1.10 116.42 116.56 1uf0 h ASP 75 Ca -0.23 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.75 1uf0 h ASP 75 Cb 1.96 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 41.46 1uf0 h ASP 75 CO 0.10 0.11 -0.29 1.56 -1.72 0.00 0.00 179.24 179.00 1uf0 h GLN 76 N 0.17 0.09 -7.22 3.56 4.20 -1.99 -3.44 115.11 110.48 1uf0 h GLN 76 Ca 0.05 -0.03 -0.51 0.00 0.06 0.00 0.00 58.65 58.21 1uf0 h GLN 76 Cb -0.02 -0.01 0.20 0.00 0.30 0.00 0.00 27.48 27.96 1uf0 h GLN 76 CO -0.01 0.37 0.14 1.28 -0.67 0.00 0.00 178.83 179.95 1uf0 n LEU 77 N -4.17 2.63 -4.02 1.46 4.77 -0.42 -5.05 117.00 112.21 1uf0 n LEU 77 Ca -0.02 0.35 -0.10 0.00 -0.03 0.00 0.00 56.01 56.21 1uf0 n LEU 77 Cb 0.36 -1.44 -0.11 0.00 -2.33 0.00 0.00 43.42 39.89 1uf0 n LEU 77 CO 0.39 -2.36 -0.38 -0.69 -1.33 0.00 0.00 177.39 173.02 1uf0 s VAL 78 N -2.60 0.28 -0.18 4.08 1.01 -1.26 -5.07 120.40 116.66 1uf0 s VAL 78 Ca 0.67 -1.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.32 1uf0 s VAL 78 Cb -0.23 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 35.66 1uf0 s VAL 78 CO 0.59 -0.49 1.33 -0.70 0.00 0.00 0.00 175.10 175.84 1uf0 s GLU 79 N -1.67 4.16 0.00 2.72 2.12 -1.26 -3.59 118.70 121.18 1uf0 s GLU 79 Ca -0.12 1.66 0.00 0.00 0.36 0.00 0.00 54.97 56.87 1uf0 s GLU 79 Cb -0.09 -3.82 0.00 0.00 0.26 0.00 0.00 34.13 30.48 1uf0 s GLU 79 CO -0.01 -0.82 0.00 0.41 -0.54 0.00 0.00 175.26 174.30 1uf0 n GLY 80 N 3.83 0.46 3.15 -1.50 0.00 -0.66 -4.89 105.19 105.58 1uf0 n GLY 80 Ca 0.15 -0.35 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.60 0.78 0.05 1.61 0.41 -1.22 -5.08 118.70 112.66 1uf0 s GLU 81 Ca 0.00 -1.32 0.09 0.00 -0.41 0.00 0.00 54.97 53.33 1uf0 s GLU 81 Cb 0.00 -0.04 -0.03 0.00 -1.78 0.00 0.00 34.13 32.28 1uf0 s GLU 81 CO 0.00 -0.07 -0.25 -1.12 -0.49 0.00 0.00 175.26 173.33 1uf0 s SER 82 N -3.01 2.97 0.07 -0.19 0.01 -1.26 -1.81 113.70 110.47 1uf0 s SER 82 Ca 0.12 -0.58 -0.07 0.00 1.31 0.00 0.00 55.95 56.72 1uf0 s SER 82 Cb 0.06 -0.26 -0.01 0.00 0.21 0.00 0.00 66.02 66.03 1uf0 s SER 82 CO -0.05 0.22 0.15 -0.31 0.41 0.00 0.00 173.24 173.66 1uf0 s TYR 83 N -0.82 0.19 -0.13 2.43 1.51 -0.38 -3.07 117.35 117.08 1uf0 s TYR 83 Ca 0.11 -0.59 -0.05 0.00 -1.01 0.00 0.00 57.07 55.53 1uf0 s TYR 83 Cb -0.10 -0.11 -0.04 0.00 -0.11 0.00 0.00 41.96 41.61 1uf0 s TYR 83 CO 0.02 -0.48 0.04 0.08 -1.11 0.00 0.00 175.55 174.10 1uf0 s VAL 84 N -3.49 4.60 -0.13 0.71 1.01 0.31 -1.38 120.40 122.04 1uf0 s VAL 84 Ca 0.02 -0.12 -0.23 0.00 0.00 0.00 0.00 61.98 61.66 1uf0 s VAL 84 Cb 0.04 -3.01 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 1uf0 s VAL 84 CO -0.09 0.54 0.69 0.00 0.00 0.00 0.00 175.10 176.24 1uf0 s GLY 86 N 0.99 2.58 0.29 0.00 0.00 -1.05 -2.81 107.32 107.31 1uf0 s GLY 86 Ca 0.34 -1.27 0.00 0.00 0.00 0.00 0.00 44.72 43.79 1uf0 s GLY 86 CO 0.14 -1.85 0.00 -1.26 0.00 0.00 0.00 173.10 170.13 1uf0 n SER 87 N -1.24 -0.64 0.00 1.64 2.88 -1.26 -1.68 113.62 113.32 1uf0 n SER 87 Ca -0.06 0.50 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 1uf0 n SER 87 Cb 0.65 0.79 0.00 0.00 -0.75 0.00 0.00 64.21 64.91 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 -3.38 0.00 -1.27 2.46 -6.64 -1.26 -4.67 119.36 104.60 1uf0 n ILE 88 Ca 0.00 0.00 -0.35 0.00 -1.77 0.00 0.00 62.75 60.63 1uf0 n ILE 88 Cb 0.00 -0.35 0.10 0.00 -1.44 0.00 0.00 39.64 37.95 1uf0 n ILE 88 CO 0.00 0.00 0.00 -1.84 -1.77 0.00 0.00 176.55 172.94 1uf0 n GLU 89 N -2.10 0.39 -1.06 6.28 0.28 -1.26 -4.97 120.64 118.20 1uf0 n GLU 89 Ca 0.00 0.20 -0.30 0.00 -0.16 0.00 0.00 57.16 56.90 1uf0 n GLU 89 Cb 0.08 -2.26 0.16 0.00 1.43 0.00 0.00 31.44 30.84 1uf0 n GLU 89 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1uf0 s PRO 90 N -3.55 0.85 0.30 3.44 0.04 -1.26 -4.96 135.00 129.86 1uf0 s PRO 90 Ca 0.73 0.87 -0.29 0.00 0.04 0.00 0.00 61.00 62.34 1uf0 s PRO 90 Cb -0.32 -1.76 -0.10 0.00 0.04 0.00 0.00 34.50 32.35 1uf0 s PRO 90 CO 0.51 -2.53 1.40 0.12 0.04 0.00 0.00 177.00 176.53 1uf0 s PHE 91 N -2.84 2.98 -0.28 0.56 5.36 -1.26 -4.99 117.98 117.50 1uf0 s PHE 91 Ca 0.65 1.19 -0.00 0.00 -0.96 0.00 0.00 56.93 57.80 1uf0 s PHE 91 Cb -0.19 -3.79 0.05 0.00 -0.34 0.00 0.00 43.02 38.74 1uf0 s PHE 91 CO 0.58 -2.40 -0.05 0.15 -1.46 0.00 0.00 175.22 172.04 1uf0 s LYS 92 N -1.11 2.42 -0.59 10.12 1.02 -1.26 -5.07 119.74 125.26 1uf0 s LYS 92 Ca 0.55 -1.26 -0.28 0.00 0.02 0.00 0.00 55.97 55.00 1uf0 s LYS 92 Cb -0.42 -3.05 0.03 0.00 -0.52 0.00 0.00 37.83 33.87 1uf0 s LYS 92 CO 0.49 -0.57 1.20 0.21 -0.92 0.00 0.00 175.35 175.76 1uf0 s LYS 93 N 1.21 3.49 -0.00 1.68 2.36 -1.26 -4.66 119.74 122.56 1uf0 s LYS 93 Ca -0.06 0.23 0.02 0.00 -2.55 0.00 0.00 55.97 53.61 1uf0 s LYS 93 Cb -0.19 -4.03 -0.01 0.00 -1.05 0.00 0.00 37.83 32.55 1uf0 s LYS 93 CO -0.03 -1.72 -0.06 -0.51 1.55 0.00 0.00 175.35 174.59 1uf0 s LEU 94 N 5.02 2.03 -0.61 5.43 1.43 -1.26 -5.08 118.68 125.64 1uf0 s LEU 94 Ca 0.43 -0.13 -0.26 0.00 -1.03 0.00 0.00 54.13 53.14 1uf0 s LEU 94 Cb -0.07 -0.29 -0.08 0.00 0.03 0.00 0.00 46.19 45.78 1uf0 s LEU 94 CO 0.25 0.06 2.30 -1.61 0.23 0.00 0.00 176.35 177.57 1uf0 s GLU 95 N -0.22 2.08 -0.16 1.70 8.01 -1.26 -4.77 118.70 124.08 1uf0 s GLU 95 Ca 0.02 0.95 -0.12 0.00 0.01 0.00 0.00 54.97 55.82 1uf0 s GLU 95 Cb -0.03 -4.64 -0.07 0.00 -4.31 0.00 0.00 34.13 25.09 1uf0 s GLU 95 CO -0.00 -3.50 -0.08 0.66 0.01 0.00 0.00 175.26 172.34 1uf0 n TYR 96 N 16.03 0.97 -0.02 1.61 4.01 -1.26 -4.22 117.16 134.27 1uf0 n TYR 96 Ca 0.37 0.42 0.23 0.00 -0.16 0.00 0.00 57.90 58.76 1uf0 n TYR 96 Cb 0.51 -0.86 0.72 0.00 -0.31 0.00 0.00 39.34 39.41 1uf0 n TYR 96 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 1uf0 h THR 97 N -1.00 0.51 -0.64 -0.72 1.35 -1.88 0.10 112.91 110.63 1uf0 h THR 97 Ca -0.09 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.77 1uf0 h THR 97 Cb 0.70 0.63 -0.03 0.00 -1.73 0.00 0.00 68.15 67.71 1uf0 h THR 97 CO -0.05 0.00 0.39 0.11 -0.25 0.00 0.00 175.52 175.72 1uf0 h LYS 98 N 0.00 0.86 -0.78 4.72 1.57 -1.96 -1.97 116.57 119.02 1uf0 h LYS 98 Ca 0.29 -0.07 -0.38 0.00 -1.87 0.00 0.00 60.65 58.62 1uf0 h LYS 98 Cb 1.30 -0.19 -0.23 0.00 0.08 0.00 0.00 32.23 33.20 1uf0 h LYS 98 CO -0.00 0.60 0.40 0.09 -0.57 0.00 0.00 179.45 179.97 1uf0 n ASN 99 N -4.41 3.58 -3.69 0.86 3.02 0.35 -4.89 115.26 110.08 1uf0 n ASN 99 Ca 0.06 -3.59 -0.18 0.00 -0.03 0.00 0.00 54.58 50.84 1uf0 n ASN 99 Cb 0.07 -0.77 -0.17 0.00 -0.61 0.00 0.00 39.78 38.30 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 -3.24 -0.12 -0.32 2.41 1.01 -0.74 -4.90 120.40 114.50 1uf0 s VAL 100 Ca 0.53 0.37 -0.29 0.00 0.00 0.00 0.00 61.98 62.59 1uf0 s VAL 100 Cb 0.45 -0.16 -0.07 0.00 0.00 0.00 0.00 36.38 36.60 1uf0 s VAL 100 CO 0.08 0.15 2.27 0.59 0.00 0.00 0.00 175.10 178.20 1uf0 n ASN 101 N 5.05 2.77 -3.31 3.32 3.02 -1.26 -4.81 115.26 120.04 1uf0 n ASN 101 Ca -0.09 0.08 -0.26 0.00 -0.03 0.00 0.00 54.58 54.28 1uf0 n ASN 101 Cb 0.50 -1.49 -0.04 0.00 -0.61 0.00 0.00 39.78 38.14 1uf0 n ASN 101 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1uf0 n PRO 102 N 8.71 1.09 -2.70 3.52 -0.02 -1.26 -4.02 135.00 140.33 1uf0 n PRO 102 Ca 0.35 -1.26 -0.06 0.00 -2.02 0.00 0.00 63.50 60.50 1uf0 n PRO 102 Cb 0.42 -2.48 0.11 0.00 -0.02 0.00 0.00 33.50 31.53 1uf0 n PRO 102 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1uf0 n ASN 103 N 6.08 -1.57 -0.07 2.55 5.15 -1.26 -4.96 115.26 121.18 1uf0 n ASN 103 Ca 0.36 -2.45 -0.10 0.00 -0.60 0.00 0.00 54.58 51.79 1uf0 n ASN 103 Cb 0.22 0.85 -0.07 0.00 -0.53 0.00 0.00 39.78 40.25 1uf0 n ASN 103 CO 0.00 0.00 0.00 -2.67 1.40 0.00 0.00 177.26 175.99 1uf0 n TRP 104 N -0.67 0.00 -1.29 1.20 4.27 -1.26 -4.58 117.44 115.11 1uf0 n TRP 104 Ca -0.04 0.00 -0.13 0.00 -3.89 0.00 0.00 57.50 53.44 1uf0 n TRP 104 Cb 0.85 -0.59 0.20 0.00 -1.36 0.00 0.00 31.31 30.42 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 -2.88 3.38 -0.10 -0.67 2.88 -1.26 -4.41 113.62 110.57 1uf0 n SER 105 Ca -0.26 -3.61 -0.14 0.00 -1.33 0.00 0.00 58.87 53.53 1uf0 n SER 105 Cb 0.80 -0.74 -0.14 0.00 -0.75 0.00 0.00 64.21 63.38 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 -1.01 1.47 -0.08 2.46 0.31 -1.26 -4.65 118.33 115.57 1uf0 n VAL 106 Ca 0.46 -0.72 -0.13 0.00 -0.01 0.00 0.00 64.34 63.94 1uf0 n VAL 106 Cb 1.37 -0.98 -0.08 0.00 -0.91 0.00 0.00 33.84 33.25 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 -4.16 4.52 -0.73 -1.87 -3.49 115.58 109.86 1uf0 h ASN 107 Ca -0.53 -0.38 0.00 0.00 1.87 0.00 0.00 56.30 57.26 1uf0 h ASN 107 Cb 2.07 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.66 1uf0 h ASN 107 CO -0.01 1.09 -0.81 0.52 -0.37 0.00 0.00 177.43 177.85 1uf0 n VAL 108 N -4.55 -4.96 -1.75 2.57 0.31 -1.26 -4.96 118.33 103.73 1uf0 n VAL 108 Ca -0.18 2.20 0.00 0.00 -0.01 0.00 0.00 64.34 66.35 1uf0 n VAL 108 Cb 0.45 -3.03 0.00 0.00 -0.91 0.00 0.00 33.84 30.35 1uf0 n VAL 108 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1uf0 n LYS 109 N -0.22 -4.72 -3.22 5.55 4.76 -1.26 -4.86 118.16 114.18 1uf0 n LYS 109 Ca 0.00 3.41 -0.21 0.00 -2.87 0.00 0.00 58.31 58.63 1uf0 n LYS 109 Cb 0.00 -3.66 0.00 0.00 -1.84 0.00 0.00 35.03 29.53 1uf0 n LYS 109 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1uf0 s THR 110 N -1.10 4.13 -1.77 -0.18 -4.23 -1.26 -4.35 115.64 106.88 1uf0 s THR 110 Ca 0.00 -0.69 -0.00 0.00 -1.18 0.00 0.00 61.69 59.81 1uf0 s THR 110 Cb 0.00 -3.49 0.00 0.00 1.34 0.00 0.00 72.50 70.35 1uf0 s THR 110 CO 0.00 -0.28 0.06 -1.20 -0.54 0.00 0.00 174.62 172.66 1uf0 n SER 111 N -1.88 -5.95 0.00 3.99 7.64 -1.26 -4.92 113.62 111.24 1uf0 n SER 111 Ca 0.00 -0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.84 1uf0 n SER 111 Cb 0.58 -4.94 0.00 0.00 -1.01 0.00 0.00 64.21 58.84 1uf0 n SER 111 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uf0 n GLY 112 N -1.06 3.89 3.52 0.23 0.00 -1.26 -5.12 105.19 105.40 1uf0 n GLY 112 Ca -0.24 -0.45 -0.39 0.00 0.00 0.00 0.00 46.02 44.95 1uf0 n GLY 112 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1uf0 n PRO 113 N 0.00 0.74 -1.35 1.61 -0.02 -1.26 -4.88 135.00 129.84 1uf0 n PRO 113 Ca 0.00 0.28 -0.30 0.00 -2.02 0.00 0.00 63.50 61.46 1uf0 n PRO 113 Cb 0.00 -1.85 0.04 0.00 -0.02 0.00 0.00 33.50 31.67 1uf0 n PRO 113 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1uf0 n SER 114 N 0.26 7.19 -2.62 2.55 7.64 -1.26 -4.92 113.62 122.46 1uf0 n SER 114 Ca 0.12 -3.53 -0.05 0.00 1.01 0.00 0.00 58.87 56.42 1uf0 n SER 114 Cb 0.45 -1.05 -0.04 0.00 -1.01 0.00 0.00 64.21 62.56 1uf0 n SER 114 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1uf0 n SER 115 N -0.27 -1.36 0.00 6.43 2.88 -1.26 -5.19 113.62 114.85 1uf0 n SER 115 Ca 0.51 1.37 0.00 0.00 -1.33 0.00 0.00 58.87 59.41 1uf0 n SER 115 Cb 0.54 -5.28 0.00 0.00 -0.75 0.00 0.00 64.21 58.73 1uf0 n SER 115 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42