#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uuc s VAL 2 N 0.00 3.55 0.32 3.17 0.11 -1.26 -2.05 120.40 124.24 2uuc s VAL 2 Ca 0.00 1.36 0.10 0.00 -2.93 0.00 0.00 61.98 60.51 2uuc s VAL 2 Cb 0.00 -3.87 -0.06 0.00 -1.53 0.00 0.00 36.38 30.92 2uuc s VAL 2 CO 0.00 0.24 -0.12 -0.54 -3.33 0.00 0.00 175.10 171.35 2uuc s LYS 3 N -0.55 1.79 -0.26 1.54 1.02 0.19 -1.40 119.74 122.07 2uuc s LYS 3 Ca 0.51 -1.87 0.01 0.00 0.02 0.00 0.00 55.97 54.64 2uuc s LYS 3 Cb -0.32 -1.74 0.05 0.00 -0.52 0.00 0.00 37.83 35.29 2uuc s LYS 3 CO 0.38 0.21 -0.08 0.42 -0.92 0.00 0.00 175.35 175.35 2uuc s ILE 4 N -2.57 2.46 0.32 2.17 1.01 -0.11 -0.68 121.20 123.80 2uuc s ILE 4 Ca 0.32 -1.45 -0.04 0.00 0.00 0.00 0.00 60.65 59.48 2uuc s ILE 4 Cb -0.00 -2.39 -0.00 0.00 0.01 0.00 0.00 42.46 40.08 2uuc s ILE 4 CO 0.16 0.02 0.45 0.00 0.00 0.00 0.00 174.94 175.57 2uuc s ARG 5 N 1.18 1.80 0.08 2.79 1.70 0.42 -1.46 118.95 125.46 2uuc s ARG 5 Ca -0.06 -1.66 -0.21 0.00 -0.47 0.00 0.00 55.73 53.33 2uuc s ARG 5 Cb -0.19 0.44 -0.07 0.00 -0.57 0.00 0.00 34.95 34.56 2uuc s ARG 5 CO -0.04 -0.74 0.62 -0.51 -1.08 0.00 0.00 175.30 173.55 2uuc s LEU 6 N -3.19 4.52 -0.12 -1.89 1.02 -1.26 0.32 118.68 118.08 2uuc s LEU 6 Ca 0.30 1.33 0.03 0.00 0.02 0.00 0.00 54.13 55.81 2uuc s LEU 6 Cb 0.00 -2.99 0.01 0.00 0.02 0.00 0.00 46.19 43.23 2uuc s LEU 6 CO 0.18 0.23 -0.23 0.00 0.02 0.00 0.00 176.35 176.55 2uuc s ALA 7 N -0.96 2.22 -0.21 4.21 0.00 -0.84 -4.90 121.76 121.28 2uuc s ALA 7 Ca 0.31 -1.04 -0.29 0.00 0.00 0.00 0.00 51.96 50.94 2uuc s ALA 7 Cb -0.20 -0.92 -0.03 0.00 0.00 0.00 0.00 23.12 21.97 2uuc s ALA 7 CO 0.20 0.10 1.70 1.03 0.00 0.00 0.00 175.76 178.80 2uuc s ARG 8 N 0.62 3.73 0.00 0.00 1.81 -1.26 -1.44 118.95 122.41 2uuc s ARG 8 Ca -0.12 1.74 0.00 0.00 -1.72 0.00 0.00 55.73 55.63 2uuc s ARG 8 Cb -0.17 -4.08 0.00 0.00 -0.45 0.00 0.00 34.95 30.25 2uuc s ARG 8 CO 0.03 -1.38 0.61 1.19 -0.68 0.00 0.00 175.30 175.06 2uuc n PHE 9 N 8.79 0.00 0.00 -0.53 3.72 0.16 -4.93 117.46 124.67 2uuc n PHE 9 Ca 0.20 -0.18 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 2uuc n PHE 9 Cb 0.45 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 2uuc n PHE 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2uuc n GLY 10 N -0.18 0.99 3.71 1.37 0.00 -0.97 -4.65 105.19 105.46 2uuc n GLY 10 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 46.02 45.97 2uuc n GLY 10 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2uuc s SER 11 N -1.09 -0.18 -0.15 1.61 1.04 -0.03 -4.88 113.70 110.02 2uuc s SER 11 Ca 0.00 -0.33 -0.39 0.00 0.48 0.00 0.00 55.95 55.71 2uuc s SER 11 Cb 0.00 0.44 -0.16 0.00 0.10 0.00 0.00 66.02 66.40 2uuc s SER 11 CO 0.00 -0.81 1.60 1.17 0.98 0.00 0.00 173.24 176.18 2uuc n LYS 12 N -0.45 1.15 -1.18 4.02 4.81 -1.26 0.85 118.16 126.09 2uuc n LYS 12 Ca -0.07 0.42 -0.06 0.00 -0.87 0.00 0.00 58.31 57.73 2uuc n LYS 12 Cb 0.61 -2.09 -0.03 0.00 0.02 0.00 0.00 35.03 33.55 2uuc n LYS 12 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2uuc n HIS 13 N 4.37 0.00 -3.18 5.64 8.25 -1.26 -4.84 115.22 124.20 2uuc n HIS 13 Ca 0.24 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.51 2uuc n HIS 13 Cb 0.15 -2.08 -0.03 0.00 1.12 0.00 0.00 29.99 29.15 2uuc n HIS 13 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2uuc n ASN 14 N -0.76 0.64 -4.77 0.41 5.15 0.25 -5.12 115.26 111.05 2uuc n ASN 14 Ca -0.06 -2.97 -0.38 0.00 -0.60 0.00 0.00 54.58 50.56 2uuc n ASN 14 Cb 0.46 -0.56 -0.00 0.00 -0.53 0.00 0.00 39.78 39.15 2uuc n ASN 14 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2uuc s PRO 15 N -2.15 3.76 -0.24 1.20 0.04 -1.23 -0.85 135.00 135.53 2uuc s PRO 15 Ca 0.39 1.94 -0.04 0.00 0.04 0.00 0.00 61.00 63.33 2uuc s PRO 15 Cb 0.32 -2.51 0.13 0.00 0.04 0.00 0.00 34.50 32.48 2uuc s PRO 15 CO -0.08 -0.60 0.41 -1.01 0.04 0.00 0.00 177.00 175.76 2uuc s HIS 16 N -1.42 -0.91 0.44 0.56 3.76 -1.26 -4.59 115.29 111.87 2uuc s HIS 16 Ca 0.62 1.11 0.03 0.00 -0.15 0.00 0.00 55.06 56.67 2uuc s HIS 16 Cb -0.33 0.16 0.01 0.00 1.11 0.00 0.00 32.58 33.52 2uuc s HIS 16 CO 0.40 -0.68 0.64 0.71 -0.85 0.00 0.00 174.74 174.96 2uuc s TYR 17 N 2.60 3.05 -0.17 1.40 1.51 -0.09 0.38 117.35 126.03 2uuc s TYR 17 Ca 0.10 -0.01 0.01 0.00 -1.01 0.00 0.00 57.07 56.15 2uuc s TYR 17 Cb -0.15 -2.36 0.03 0.00 -0.11 0.00 0.00 41.96 39.38 2uuc s TYR 17 CO -0.16 -0.42 -0.12 1.03 -1.11 0.00 0.00 175.55 174.77 2uuc s ARG 18 N -4.49 2.17 0.01 -0.62 0.52 -0.52 -1.58 118.95 114.43 2uuc s ARG 18 Ca 0.51 -0.69 -0.30 0.00 -0.52 0.00 0.00 55.73 54.72 2uuc s ARG 18 Cb -0.10 -2.25 -0.07 0.00 0.52 0.00 0.00 34.95 33.05 2uuc s ARG 18 CO 0.36 -0.33 1.63 0.42 0.02 0.00 0.00 175.30 177.40 2uuc s ILE 19 N 1.45 3.36 0.01 1.52 1.09 -0.60 -1.99 121.20 126.04 2uuc s ILE 19 Ca 0.02 0.64 0.02 0.00 -1.10 0.00 0.00 60.65 60.23 2uuc s ILE 19 Cb -0.14 -3.41 -0.01 0.00 -1.06 0.00 0.00 42.46 37.83 2uuc s ILE 19 CO -0.10 -0.03 -0.07 -0.69 -0.10 0.00 0.00 174.94 173.96 2uuc s VAL 20 N 3.28 0.53 -0.16 2.92 1.01 0.15 -1.11 120.40 127.02 2uuc s VAL 20 Ca 0.73 -0.55 -0.15 0.00 0.00 0.00 0.00 61.98 62.01 2uuc s VAL 20 Cb -0.36 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 2uuc s VAL 20 CO 0.31 -0.03 0.35 -0.69 0.00 0.00 0.00 175.10 175.04 2uuc s VAL 21 N -0.55 5.26 0.09 2.92 1.01 -0.46 -0.44 120.40 128.23 2uuc s VAL 21 Ca -0.01 0.67 -0.26 0.00 0.00 0.00 0.00 61.98 62.38 2uuc s VAL 21 Cb -0.05 -3.69 0.08 0.00 0.00 0.00 0.00 36.38 32.72 2uuc s VAL 21 CO 0.00 0.35 0.75 0.28 0.00 0.00 0.00 175.10 176.49 2uuc s THR 22 N 0.63 0.00 0.38 3.92 -1.32 0.14 -0.14 115.64 119.25 2uuc s THR 22 Ca 0.19 -0.07 -0.27 0.00 -1.21 0.00 0.00 61.69 60.33 2uuc s THR 22 Cb -0.14 -1.09 -0.09 0.00 -1.51 0.00 0.00 72.50 69.68 2uuc s THR 22 CO 0.06 0.00 1.28 -0.62 -2.21 0.00 0.00 174.62 173.13 2uuc s ASP 23 N -2.64 6.49 0.36 8.08 -1.08 -1.26 0.54 116.67 127.16 2uuc s ASP 23 Ca 0.04 2.60 0.03 0.00 -0.52 0.00 0.00 52.55 54.70 2uuc s ASP 23 Cb -0.01 -2.64 0.69 0.00 -1.46 0.00 0.00 42.92 39.50 2uuc s ASP 23 CO -0.10 -0.72 2.02 0.00 0.52 0.00 0.00 175.17 176.90 2uuc h ALA 24 N 2.89 1.58 0.00 3.66 0.00 -1.74 -2.72 119.26 122.93 2uuc h ALA 24 Ca -0.49 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2uuc h ALA 24 Cb 1.24 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2uuc h ALA 24 CO 0.63 0.39 0.00 0.54 0.00 0.00 0.00 179.25 180.81 2uuc n ARG 25 N -4.45 0.17 -1.48 0.00 1.74 -1.26 -4.82 116.66 106.56 2uuc n ARG 25 Ca 0.06 0.36 -0.31 0.00 -0.77 0.00 0.00 57.85 57.19 2uuc n ARG 25 Cb 0.04 -1.80 0.07 0.00 -1.02 0.00 0.00 32.46 29.76 2uuc n ARG 25 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2uuc s ARG 26 N -3.24 2.49 1.22 5.56 3.52 -1.03 -5.01 118.95 122.46 2uuc s ARG 26 Ca 0.06 0.91 -0.17 0.00 -0.13 0.00 0.00 55.73 56.40 2uuc s ARG 26 Cb 0.10 -1.94 0.30 0.00 -1.56 0.00 0.00 34.95 31.84 2uuc s ARG 26 CO 0.40 -1.41 1.03 -1.59 -0.81 0.00 0.00 175.30 172.92 2uuc s LYS 27 N -5.04 -1.38 0.08 5.12 -2.85 -1.26 -4.95 119.74 109.47 2uuc s LYS 27 Ca 0.60 0.38 -0.03 0.00 -1.00 0.00 0.00 55.97 55.91 2uuc s LYS 27 Cb -0.15 -1.54 -0.26 0.00 -2.06 0.00 0.00 37.83 33.82 2uuc s LYS 27 CO 0.55 -3.91 1.17 0.07 0.10 0.00 0.00 175.35 173.33 2uuc h ARG 28 N -2.74 0.26 -0.65 1.78 0.11 -1.95 -3.24 114.38 107.95 2uuc h ARG 28 Ca -0.52 -0.43 -0.19 0.00 0.10 0.00 0.00 59.98 58.94 2uuc h ARG 28 Cb 1.33 0.16 -0.11 0.00 1.11 0.00 0.00 29.97 32.45 2uuc h ARG 28 CO 0.43 1.19 0.21 -0.25 0.10 0.00 0.00 179.97 181.65 2uuc n ASP 29 N -3.53 4.52 -2.05 0.08 10.43 -1.26 -4.65 116.55 120.08 2uuc n ASP 29 Ca -0.08 -3.26 0.00 0.00 2.57 0.00 0.00 54.79 54.03 2uuc n ASP 29 Cb 1.00 -0.71 0.00 0.00 1.84 0.00 0.00 41.12 43.25 2uuc n ASP 29 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2uuc n GLY 30 N -0.29 -0.19 3.57 0.44 0.00 -1.23 -4.95 105.19 102.55 2uuc n GLY 30 Ca 0.38 -1.78 -0.40 0.00 0.00 0.00 0.00 46.02 44.22 2uuc n GLY 30 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2uuc n LYS 31 N -0.68 1.51 -2.45 1.61 4.81 -1.26 -4.97 118.16 116.72 2uuc n LYS 31 Ca 0.00 0.27 -0.24 0.00 -0.87 0.00 0.00 58.31 57.47 2uuc n LYS 31 Cb 0.00 -3.34 0.05 0.00 0.02 0.00 0.00 35.03 31.76 2uuc n LYS 31 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 2uuc s TYR 32 N 10.27 2.94 0.10 5.64 1.13 -1.26 -4.84 117.35 131.32 2uuc s TYR 32 Ca 1.00 0.25 0.04 0.00 -1.41 0.00 0.00 57.07 56.95 2uuc s TYR 32 Cb -0.26 -2.91 -0.23 0.00 -1.10 0.00 0.00 41.96 37.45 2uuc s TYR 32 CO 0.31 -1.07 1.20 0.82 -2.51 0.00 0.00 175.55 174.30 2uuc h ILE 33 N -0.22 1.60 -1.27 -3.49 2.04 -0.91 -3.48 117.51 111.78 2uuc h ILE 33 Ca -0.44 -3.28 0.19 0.00 1.00 0.00 0.00 64.86 62.34 2uuc h ILE 33 Cb 1.30 2.86 -0.25 0.00 -0.74 0.00 0.00 36.82 39.98 2uuc h ILE 33 CO 0.57 0.93 0.80 -0.70 0.00 0.00 0.00 178.15 179.75 2uuc s GLU 34 N -2.69 0.27 -0.11 2.37 2.12 -1.02 -4.99 118.70 114.66 2uuc s GLU 34 Ca -0.01 0.05 -0.09 0.00 0.36 0.00 0.00 54.97 55.28 2uuc s GLU 34 Cb 0.09 0.13 -0.04 0.00 0.26 0.00 0.00 34.13 34.56 2uuc s GLU 34 CO 0.84 -0.09 0.20 0.21 -0.54 0.00 0.00 175.26 175.88 2uuc s LYS 35 N -1.16 3.62 -0.02 4.30 2.20 -1.26 -1.35 119.74 126.06 2uuc s LYS 35 Ca 0.05 -0.03 0.03 0.00 -0.36 0.00 0.00 55.97 55.66 2uuc s LYS 35 Cb -0.01 -3.22 0.04 0.00 -1.51 0.00 0.00 37.83 33.13 2uuc s LYS 35 CO -0.04 0.71 0.91 0.44 -0.36 0.00 0.00 175.35 177.00 2uuc n ILE 36 N 2.13 0.32 -0.95 5.43 -5.35 -0.27 -4.95 119.36 115.73 2uuc n ILE 36 Ca -0.18 -0.38 0.00 0.00 -0.27 0.00 0.00 62.75 61.92 2uuc n ILE 36 Cb 0.54 0.51 0.00 0.00 -1.74 0.00 0.00 39.64 38.95 2uuc n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2uuc n GLY 37 N -0.23 -2.01 3.38 3.28 0.00 -1.11 -0.86 105.19 107.64 2uuc n GLY 37 Ca 0.02 -1.17 -0.13 0.00 0.00 0.00 0.00 46.02 44.74 2uuc n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2uuc s TYR 38 N -2.26 -0.39 -0.13 1.61 -0.85 -0.72 -1.55 117.35 113.05 2uuc s TYR 38 Ca 0.00 0.38 -0.06 0.00 -0.52 0.00 0.00 57.07 56.87 2uuc s TYR 38 Cb 0.00 0.33 0.05 0.00 0.38 0.00 0.00 41.96 42.72 2uuc s TYR 38 CO 0.00 -0.65 0.29 -0.47 -1.52 0.00 0.00 175.55 173.21 2uuc s TYR 39 N -2.62 -0.43 -0.39 -3.49 5.04 -0.62 -2.45 117.35 112.40 2uuc s TYR 39 Ca -0.04 0.97 -0.03 0.00 -2.44 0.00 0.00 57.07 55.52 2uuc s TYR 39 Cb -0.00 0.09 0.10 0.00 0.35 0.00 0.00 41.96 42.49 2uuc s TYR 39 CO -0.03 -0.29 0.17 0.34 -1.34 0.00 0.00 175.55 174.40 2uuc s ASP 40 N 1.60 5.22 0.00 4.32 3.68 -0.52 -0.91 116.67 130.06 2uuc s ASP 40 Ca -0.07 -1.85 0.09 0.00 2.13 0.00 0.00 52.55 52.86 2uuc s ASP 40 Cb -0.10 -1.82 0.46 0.00 -1.45 0.00 0.00 42.92 40.00 2uuc s ASP 40 CO -0.10 -0.49 1.21 -0.81 0.13 0.00 0.00 175.17 175.11 2uuc n PRO 41 N 4.62 0.11 -0.19 4.34 -0.04 -1.26 -1.78 135.00 140.80 2uuc n PRO 41 Ca -0.05 0.23 0.08 0.00 -0.04 0.00 0.00 63.50 63.72 2uuc n PRO 41 Cb 0.42 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.57 2uuc n PRO 41 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2uuc n ARG 42 N -1.33 2.43 -3.91 0.54 1.74 -1.26 -4.98 116.66 109.88 2uuc n ARG 42 Ca 0.04 -2.11 -0.29 0.00 -0.77 0.00 0.00 57.85 54.73 2uuc n ARG 42 Cb 0.08 -1.38 -0.03 0.00 -1.02 0.00 0.00 32.46 30.11 2uuc n ARG 42 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2uuc n LYS 43 N 0.99 -0.70 -0.02 5.56 4.01 -0.73 -4.75 118.16 122.52 2uuc n LYS 43 Ca 0.15 -0.02 0.11 0.00 -0.51 0.00 0.00 58.31 58.04 2uuc n LYS 43 Cb 0.49 -2.09 0.56 0.00 -0.51 0.00 0.00 35.03 33.47 2uuc n LYS 43 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 2uuc n THR 44 N -3.80 0.05 -3.84 -0.18 -2.24 -1.26 -4.70 114.28 98.30 2uuc n THR 44 Ca -0.16 -0.10 -0.12 0.00 -2.27 0.00 0.00 64.05 61.40 2uuc n THR 44 Cb 0.46 -0.11 -0.11 0.00 -2.10 0.00 0.00 70.33 68.47 2uuc n THR 44 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2uuc s THR 45 N -1.95 0.04 -0.03 4.28 -1.32 -1.26 -5.02 115.64 110.39 2uuc s THR 45 Ca 0.32 -0.31 0.28 0.00 -1.21 0.00 0.00 61.69 60.76 2uuc s THR 45 Cb 0.16 -0.32 0.28 0.00 -1.51 0.00 0.00 72.50 71.11 2uuc s THR 45 CO 0.25 -0.17 1.84 1.55 -2.21 0.00 0.00 174.62 175.88 2uuc h PRO 46 N 5.18 0.00 -2.05 7.08 0.13 -2.01 -2.45 132.00 137.87 2uuc h PRO 46 Ca -0.28 0.00 -0.75 0.00 -0.87 0.00 0.00 66.00 64.10 2uuc h PRO 46 Cb 1.20 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.03 2uuc h PRO 46 CO 0.41 0.00 0.72 -3.47 -0.23 0.00 0.00 178.00 175.43 2uuc n ASP 47 N -2.48 6.92 -0.36 1.44 4.64 -1.26 -4.70 116.55 120.75 2uuc n ASP 47 Ca -0.01 -3.77 0.08 0.00 -1.38 0.00 0.00 54.79 49.72 2uuc n ASP 47 Cb 0.08 -0.99 0.35 0.00 -1.04 0.00 0.00 41.12 39.52 2uuc n ASP 47 CO 0.00 0.00 0.00 -2.67 -0.82 0.00 0.00 177.20 173.71 2uuc n TRP 48 N -0.35 0.17 -3.66 -0.67 4.27 -0.93 -4.76 117.44 111.52 2uuc n TRP 48 Ca 0.48 -0.09 -0.06 0.00 -3.89 0.00 0.00 57.50 53.95 2uuc n TRP 48 Cb 0.30 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.18 2uuc n TRP 48 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 2uuc s LEU 49 N -1.42 -0.82 -0.06 5.67 2.96 -1.26 -1.43 118.68 122.31 2uuc s LEU 49 Ca 0.26 1.28 -0.05 0.00 -0.22 0.00 0.00 54.13 55.40 2uuc s LEU 49 Cb 0.14 1.86 0.02 0.00 0.50 0.00 0.00 46.19 48.71 2uuc s LEU 49 CO 0.21 -0.22 0.17 -0.75 -1.32 0.00 0.00 176.35 174.43 2uuc s LYS 50 N 2.45 0.18 -0.01 1.98 2.20 -1.02 -5.02 119.74 120.50 2uuc s LYS 50 Ca -0.05 0.27 0.00 0.00 -0.36 0.00 0.00 55.97 55.82 2uuc s LYS 50 Cb -0.11 0.04 0.01 0.00 -1.51 0.00 0.00 37.83 36.27 2uuc s LYS 50 CO -0.16 -0.05 0.01 0.08 -0.36 0.00 0.00 175.35 174.86 2uuc s VAL 51 N 0.31 0.02 -1.49 4.02 1.01 -1.26 -1.76 120.40 121.25 2uuc s VAL 51 Ca -0.02 0.06 -0.13 0.00 0.00 0.00 0.00 61.98 61.89 2uuc s VAL 51 Cb -0.03 -0.08 0.02 0.00 0.00 0.00 0.00 36.38 36.29 2uuc s VAL 51 CO -0.01 0.05 2.35 -0.67 0.00 0.00 0.00 175.10 176.82 2uuc n ASP 52 N 3.53 4.74 -0.32 3.32 -0.08 -0.04 -4.78 116.55 122.93 2uuc n ASP 52 Ca -0.19 -2.80 0.27 0.00 -1.51 0.00 0.00 54.79 50.57 2uuc n ASP 52 Cb 0.56 -1.64 0.45 0.00 2.34 0.00 0.00 41.12 42.83 2uuc n ASP 52 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 2uuc n VAL 53 N 4.80 -0.16 0.00 5.18 3.14 -1.26 -0.42 118.33 129.61 2uuc n VAL 53 Ca 0.56 1.19 0.00 0.00 -2.96 0.00 0.00 64.34 63.14 2uuc n VAL 53 Cb 0.36 -1.95 0.00 0.00 -1.06 0.00 0.00 33.84 31.19 2uuc n VAL 53 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 2uuc n GLU 54 N -3.98 0.00 -0.31 1.45 4.07 -1.26 -2.43 120.64 118.18 2uuc n GLU 54 Ca 0.27 0.41 0.18 0.00 -0.06 0.00 0.00 57.16 57.97 2uuc n GLU 54 Cb 1.05 -1.17 0.35 0.00 -0.06 0.00 0.00 31.44 31.61 2uuc n GLU 54 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2uuc n ARG 55 N -1.74 -0.07 0.20 5.31 5.12 0.44 0.12 116.66 126.04 2uuc n ARG 55 Ca 0.00 1.33 -0.16 0.00 -1.93 0.00 0.00 57.85 57.09 2uuc n ARG 55 Cb 0.00 -2.20 -0.08 0.00 -1.16 0.00 0.00 32.46 29.02 2uuc n ARG 55 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2uuc h ALA 56 N 1.82 -0.89 -0.72 7.54 0.00 -0.91 -1.32 119.26 124.78 2uuc h ALA 56 Ca 0.62 -0.13 0.15 0.00 0.00 0.00 0.00 54.91 55.56 2uuc h ALA 56 Cb 1.43 0.68 -0.13 0.00 0.00 0.00 0.00 17.79 19.76 2uuc h ALA 56 CO -0.81 -1.05 -0.12 0.00 0.00 0.00 0.00 179.25 177.27 2uuc h ARG 57 N -0.80 0.03 -0.24 0.00 3.08 0.13 -1.65 114.38 114.93 2uuc h ARG 57 Ca -0.02 -0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.06 2uuc h ARG 57 Cb 0.75 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.74 2uuc h ARG 57 CO -0.14 0.02 -0.31 -0.92 -1.07 0.00 0.00 179.97 177.55 2uuc h TYR 58 N 0.03 -0.95 -0.64 3.04 5.03 -0.06 -0.29 116.97 123.14 2uuc h TYR 58 Ca 0.36 0.05 0.04 0.00 2.58 0.00 0.00 58.73 61.76 2uuc h TYR 58 Cb 0.59 0.44 -0.05 0.00 1.55 0.00 0.00 36.73 39.26 2uuc h TYR 58 CO -0.52 -0.27 0.38 -1.49 -1.32 0.00 0.00 178.16 174.94 2uuc h TRP 59 N -0.21 0.70 -0.99 -3.82 4.06 -0.85 -0.10 115.95 114.74 2uuc h TRP 59 Ca 0.04 0.02 0.16 0.00 2.06 0.00 0.00 58.89 61.17 2uuc h TRP 59 Cb 0.32 -0.22 -0.09 0.00 -1.00 0.00 0.00 29.16 28.17 2uuc h TRP 59 CO -0.69 0.37 0.62 -0.07 -3.56 0.00 0.00 178.44 175.11 2uuc h LEU 60 N 0.72 0.83 -1.91 -4.49 3.38 -0.92 0.38 115.31 113.29 2uuc h LEU 60 Ca 0.27 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.29 2uuc h LEU 60 Cb 0.10 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 2uuc h LEU 60 CO -0.14 0.37 -0.11 0.77 0.09 0.00 0.00 178.44 179.42 2uuc h SER 61 N 0.85 0.00 -0.44 -0.43 4.64 0.78 -2.95 113.55 116.00 2uuc h SER 61 Ca 0.53 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.84 2uuc h SER 61 Cb 0.71 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.80 2uuc h SER 61 CO -0.31 0.11 0.01 1.33 -0.87 0.00 0.00 176.83 177.10 2uuc n VAL 62 N -4.08 2.58 0.00 0.95 0.24 0.12 -4.92 118.33 113.22 2uuc n VAL 62 Ca -0.02 -1.65 0.00 0.00 -2.04 0.00 0.00 64.34 60.63 2uuc n VAL 62 Cb 0.19 -0.27 0.00 0.00 -1.47 0.00 0.00 33.84 32.29 2uuc n VAL 62 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2uuc n GLY 63 N 0.07 0.58 3.73 7.63 0.00 -1.01 -5.06 105.19 111.13 2uuc n GLY 63 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 2uuc n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uuc s ALA 64 N -2.00 3.76 -0.19 4.61 0.00 -0.54 -4.59 121.76 122.81 2uuc s ALA 64 Ca 0.00 1.40 -0.04 0.00 0.00 0.00 0.00 51.96 53.32 2uuc s ALA 64 Cb 0.00 -3.62 -0.02 0.00 0.00 0.00 0.00 23.12 19.48 2uuc s ALA 64 CO 0.00 -0.80 -0.03 -0.65 0.00 0.00 0.00 175.76 174.27 2uuc s GLN 65 N 0.66 3.53 0.19 0.00 -1.52 -0.49 -4.49 119.66 117.54 2uuc s GLN 65 Ca 0.67 -0.57 -0.13 0.00 -1.95 0.00 0.00 55.36 53.39 2uuc s GLN 65 Cb -0.44 -2.98 -0.07 0.00 -0.22 0.00 0.00 33.01 29.30 2uuc s GLN 65 CO 0.35 0.02 0.57 -1.25 -0.25 0.00 0.00 175.29 174.73 2uuc s PRO 66 N 0.94 3.93 0.97 2.91 0.04 -1.26 -0.94 135.00 141.60 2uuc s PRO 66 Ca 0.00 0.44 -0.11 0.00 0.04 0.00 0.00 61.00 61.38 2uuc s PRO 66 Cb -0.15 -2.80 0.18 0.00 0.04 0.00 0.00 34.50 31.77 2uuc s PRO 66 CO 0.01 0.40 1.12 0.99 0.04 0.00 0.00 177.00 179.56 2uuc s THR 67 N -1.62 2.11 0.15 1.26 2.01 -0.54 -4.68 115.64 114.34 2uuc s THR 67 Ca 0.42 0.04 -0.12 0.00 0.31 0.00 0.00 61.69 62.34 2uuc s THR 67 Cb -0.13 -2.09 0.03 0.00 0.01 0.00 0.00 72.50 70.31 2uuc s THR 67 CO 0.20 -0.05 1.63 0.44 -0.69 0.00 0.00 174.62 176.15 2uuc h ASP 68 N -2.02 0.84 -0.17 3.53 3.32 -1.97 0.25 116.42 120.20 2uuc h ASP 68 Ca -0.48 -0.28 -0.09 0.00 0.02 0.00 0.00 57.03 56.20 2uuc h ASP 68 Cb 1.28 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.59 2uuc h ASP 68 CO 0.44 0.90 -0.19 0.74 -1.72 0.00 0.00 179.24 179.42 2uuc h THR 69 N 0.74 1.26 -0.24 0.35 2.02 -1.97 -0.64 112.91 114.43 2uuc h THR 69 Ca 0.15 -1.20 -0.02 0.00 0.77 0.00 0.00 66.41 66.11 2uuc h THR 69 Cb 0.44 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 2uuc h THR 69 CO 0.02 0.39 0.08 0.00 0.37 0.00 0.00 175.52 176.38 2uuc h ALA 70 N 1.27 0.31 -0.77 6.16 0.00 -1.76 -2.48 119.26 121.99 2uuc h ALA 70 Ca 0.08 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.94 2uuc h ALA 70 Cb 0.62 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 2uuc h ALA 70 CO 0.04 -0.07 0.44 -0.09 0.00 0.00 0.00 179.25 179.58 2uuc h ARG 71 N 0.23 0.76 0.02 0.00 2.43 -0.06 0.28 114.38 118.05 2uuc h ARG 71 Ca 0.08 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.23 2uuc h ARG 71 Cb 0.21 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.55 2uuc h ARG 71 CO -0.00 0.51 -0.24 -0.09 -1.51 0.00 0.00 179.97 178.63 2uuc h ARG 72 N 0.79 -0.38 -0.26 0.20 2.43 -0.80 -0.36 114.38 116.00 2uuc h ARG 72 Ca 0.35 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.54 2uuc h ARG 72 Cb 0.25 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 2uuc h ARG 72 CO -0.21 -0.25 0.12 -0.07 -1.51 0.00 0.00 179.97 178.05 2uuc h LEU 73 N -0.39 0.35 -1.52 3.80 3.38 -0.96 -1.44 115.31 118.54 2uuc h LEU 73 Ca 0.05 -0.14 0.15 0.00 0.09 0.00 0.00 57.88 58.04 2uuc h LEU 73 Cb 0.46 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 2uuc h LEU 73 CO -0.20 0.39 0.52 -0.07 0.09 0.00 0.00 178.44 179.18 2uuc h LEU 74 N 0.29 0.45 0.00 1.67 3.38 -0.13 -0.97 115.31 120.00 2uuc h LEU 74 Ca 0.09 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 2uuc h LEU 74 Cb 0.14 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2uuc h LEU 74 CO -0.01 0.23 -0.00 -0.09 0.09 0.00 0.00 178.44 178.66 2uuc h ARG 75 N 0.47 -0.00 -0.70 1.13 2.43 -0.56 -0.99 114.38 116.15 2uuc h ARG 75 Ca 0.39 0.00 0.20 0.00 -0.81 0.00 0.00 59.98 59.77 2uuc h ARG 75 Cb 0.84 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.36 2uuc h ARG 75 CO -0.14 0.72 0.55 0.37 -1.51 0.00 0.00 179.97 179.96 2uuc h GLN 76 N -0.73 0.00 -0.00 0.20 4.15 -0.65 1.66 115.11 119.74 2uuc h GLN 76 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2uuc h GLN 76 Cb 0.72 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.41 2uuc h GLN 76 CO 0.00 0.00 -0.12 0.00 -1.93 0.00 0.00 178.83 176.78 2uuc n ALA 77 N -2.61 2.74 -0.48 3.38 0.00 -0.43 -4.93 120.51 118.19 2uuc n ALA 77 Ca 0.14 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2uuc n ALA 77 Cb 0.81 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.91 2uuc n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2uuc n GLY 78 N 1.35 0.72 0.26 0.00 0.00 0.56 -4.94 105.19 103.14 2uuc n GLY 78 Ca 0.12 -0.40 0.14 0.00 0.00 0.00 0.00 46.02 45.88 2uuc n GLY 78 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2uuc h VAL 79 N 0.00 0.42 -0.00 1.61 2.07 -1.29 -3.18 116.25 115.87 2uuc h VAL 79 Ca 0.00 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.86 2uuc h VAL 79 Cb 0.00 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2uuc h VAL 79 CO 0.00 0.12 -0.50 0.49 0.02 0.00 0.00 177.57 177.70 2uuc n PHE 80 N -3.42 0.00 -1.18 1.57 3.01 -1.26 -4.91 117.46 111.26 2uuc n PHE 80 Ca -0.01 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.11 2uuc n PHE 80 Cb 0.29 0.00 0.12 0.00 -0.01 0.00 0.00 39.48 39.88 2uuc n PHE 80 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 2uuc n ARG 81 N -0.90 0.29 0.01 -1.08 0.63 -1.21 -4.98 116.66 109.43 2uuc n ARG 81 Ca 0.04 0.17 0.00 0.00 -0.92 0.00 0.00 57.85 57.14 2uuc n ARG 81 Cb 0.24 -2.40 0.00 0.00 0.45 0.00 0.00 32.46 30.75 2uuc n ARG 81 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 2uuc n GLN 82 N -2.92 0.00 -0.71 -0.14 6.02 -1.26 -5.12 117.38 113.24 2uuc n GLN 82 Ca 0.13 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.22 2uuc n GLN 82 Cb 0.50 -0.24 -0.03 0.00 1.02 0.00 0.00 30.24 31.49 2uuc n GLN 82 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2uuc n GLU 83 N -2.80 -1.55 0.00 -1.09 -0.58 -1.26 -5.29 120.64 108.08 2uuc n GLU 83 Ca 0.00 1.16 0.00 0.00 -0.42 0.00 0.00 57.16 57.90 2uuc n GLU 83 Cb 0.22 -1.85 0.00 0.00 -0.57 0.00 0.00 31.44 29.24 2uuc n GLU 83 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65