#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3juc s ALA 2 N 0.00 -0.81 -0.14 -5.12 0.00 -0.41 -4.96 121.76 110.31 3juc s ALA 2 Ca 0.00 -0.41 -0.06 0.00 0.00 0.00 0.00 51.96 51.48 3juc s ALA 2 Cb 0.00 0.91 -0.04 0.00 0.00 0.00 0.00 23.12 23.99 3juc s ALA 2 CO 0.00 -0.87 0.09 -0.51 0.00 0.00 0.00 175.76 174.48 3juc s LEU 3 N -2.92 4.07 -0.06 0.00 1.43 -1.26 -0.78 118.68 119.14 3juc s LEU 3 Ca 0.13 0.28 0.04 0.00 -1.03 0.00 0.00 54.13 53.55 3juc s LEU 3 Cb -0.02 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.21 3juc s LEU 3 CO 0.02 0.32 -0.18 0.54 0.23 0.00 0.00 176.35 177.28 3juc s VAL 4 N -0.51 1.55 -0.32 -1.59 0.11 -0.10 -0.74 120.40 118.80 3juc s VAL 4 Ca 0.11 -0.75 -0.17 0.00 -2.93 0.00 0.00 61.98 58.24 3juc s VAL 4 Cb -0.12 -1.35 -0.02 0.00 -1.53 0.00 0.00 36.38 33.37 3juc s VAL 4 CO 0.02 0.44 0.46 0.12 -3.33 0.00 0.00 175.10 172.81 3juc s PHE 5 N 0.27 3.21 -0.08 1.54 5.36 0.31 -1.08 117.98 127.50 3juc s PHE 5 Ca -0.11 0.26 -0.01 0.00 -0.96 0.00 0.00 56.93 56.11 3juc s PHE 5 Cb -0.14 -2.77 -0.03 0.00 -0.34 0.00 0.00 43.02 39.73 3juc s PHE 5 CO 0.04 -0.42 -0.03 0.14 -1.46 0.00 0.00 175.22 173.50 3juc s VAL 6 N 2.24 4.06 0.00 3.12 -7.23 -0.03 -4.55 120.40 118.01 3juc s VAL 6 Ca 0.17 -0.34 0.00 0.00 -1.81 0.00 0.00 61.98 60.00 3juc s VAL 6 Cb -0.16 -2.69 0.00 0.00 0.56 0.00 0.00 36.38 34.09 3juc s VAL 6 CO 0.12 0.59 0.06 0.00 -0.31 0.00 0.00 175.10 175.56 3juc n TYR 7 N 2.27 0.00 0.00 2.82 0.18 -1.26 -1.09 117.16 120.08 3juc n TYR 7 Ca -0.18 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.60 3juc n TYR 7 Cb 0.53 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.49 3juc n TYR 7 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3juc n GLY 8 N 0.32 2.49 0.00 -7.48 0.00 -1.26 -4.24 105.19 95.02 3juc n GLY 8 Ca 0.00 -0.12 0.06 0.00 0.00 0.00 0.00 46.02 45.96 3juc n GLY 8 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3juc n THR 9 N 0.00 1.07 0.67 2.61 -2.24 -1.26 -2.38 114.28 112.75 3juc n THR 9 Ca 0.00 0.27 0.13 0.00 -2.27 0.00 0.00 64.05 62.17 3juc n THR 9 Cb 0.00 -1.04 0.30 0.00 -2.10 0.00 0.00 70.33 67.49 3juc n THR 9 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3juc n LEU 10 N -1.49 0.66 -4.72 3.22 4.77 -1.26 -0.59 117.00 117.60 3juc n LEU 10 Ca 0.03 0.36 -0.33 0.00 -0.03 0.00 0.00 56.01 56.05 3juc n LEU 10 Cb 0.15 -0.27 0.11 0.00 -2.33 0.00 0.00 43.42 41.09 3juc n LEU 10 CO 0.12 -0.08 0.75 -0.54 -1.33 0.00 0.00 177.39 176.31 3juc s LYS 11 N -3.11 1.86 0.14 3.23 1.02 -1.00 -4.26 119.74 117.62 3juc s LYS 11 Ca 0.09 1.62 -0.34 0.00 0.02 0.00 0.00 55.97 57.35 3juc s LYS 11 Cb 0.14 -1.82 -0.16 0.00 -0.52 0.00 0.00 37.83 35.48 3juc s LYS 11 CO 0.66 -2.02 1.31 0.54 -0.92 0.00 0.00 175.35 174.92 3juc n ARG 12 N -3.24 1.38 -0.05 1.68 1.74 -1.26 -1.24 116.66 115.67 3juc n ARG 12 Ca 0.12 0.50 0.00 0.00 -0.77 0.00 0.00 57.85 57.70 3juc n ARG 12 Cb 0.51 -2.10 0.00 0.00 -1.02 0.00 0.00 32.46 29.85 3juc n ARG 12 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3juc n GLY 13 N 2.41 1.93 3.97 -0.13 0.00 -1.26 -5.05 105.19 107.07 3juc n GLY 13 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 3juc n GLY 13 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3juc s GLN 14 N -0.33 3.32 0.55 1.61 -1.52 -0.38 -5.01 119.66 117.90 3juc s GLN 14 Ca 0.00 -0.75 0.30 0.00 -1.95 0.00 0.00 55.36 52.96 3juc s GLN 14 Cb 0.00 -2.81 1.58 0.00 -0.22 0.00 0.00 33.01 31.57 3juc s GLN 14 CO 0.00 0.22 2.12 -1.35 -0.25 0.00 0.00 175.29 176.03 3juc h PRO 15 N 0.96 0.00 -0.44 2.91 0.11 -1.85 -2.34 132.00 131.35 3juc h PRO 15 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3juc h PRO 15 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3juc h PRO 15 CO 0.58 0.08 0.00 0.09 -0.21 0.00 0.00 178.00 178.55 3juc n ASN 16 N -3.58 3.85 0.06 -2.05 5.03 0.24 -4.65 115.26 114.17 3juc n ASN 16 Ca -0.02 -2.42 0.09 0.00 0.87 0.00 0.00 54.58 53.10 3juc n ASN 16 Cb 0.21 -0.44 0.54 0.00 -1.02 0.00 0.00 39.78 39.06 3juc n ASN 16 CO 0.00 0.00 0.00 -0.74 -1.83 0.00 0.00 177.26 174.69 3juc h HIS 17 N 2.75 0.28 -0.86 3.10 2.76 -1.13 -2.41 115.15 119.64 3juc h HIS 17 Ca 0.00 0.01 0.22 0.00 -2.20 0.00 0.00 60.37 58.40 3juc h HIS 17 Cb 1.18 -0.09 -0.05 0.00 1.55 0.00 0.00 27.41 30.00 3juc h HIS 17 CO 0.50 0.16 0.59 0.07 -1.30 0.00 0.00 177.93 177.95 3juc h ARG 18 N 0.29 0.17 0.00 5.26 -0.00 -1.83 -1.87 114.38 116.40 3juc h ARG 18 Ca 0.15 -0.01 -0.00 0.00 -0.00 0.00 0.00 59.98 60.12 3juc h ARG 18 Cb 0.24 -0.04 -0.00 0.00 -0.00 0.00 0.00 29.97 30.17 3juc h ARG 18 CO -0.03 0.11 -0.01 -0.39 -0.00 0.00 0.00 179.97 179.66 3juc h VAL 19 N 0.18 0.01 0.00 0.08 -1.51 -1.81 -0.22 116.25 112.98 3juc h VAL 19 Ca 0.43 -0.51 -0.03 0.00 -1.23 0.00 0.00 66.70 65.35 3juc h VAL 19 Cb 1.40 1.50 -0.00 0.00 -2.13 0.00 0.00 31.29 32.06 3juc h VAL 19 CO -0.08 0.01 -0.16 -0.07 -1.23 0.00 0.00 177.57 176.04 3juc h LEU 20 N 0.00 0.00 -0.48 4.19 3.38 -1.54 -3.25 115.31 117.61 3juc h LEU 20 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3juc h LEU 20 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3juc h LEU 20 CO 0.00 0.16 -0.66 0.54 0.09 0.00 0.00 178.44 178.57 3juc n ARG 21 N -3.27 1.06 -2.68 1.13 5.12 -0.13 -3.98 116.66 113.91 3juc n ARG 21 Ca 0.01 -0.47 -0.42 0.00 -1.93 0.00 0.00 57.85 55.04 3juc n ARG 21 Cb 0.42 -1.40 -0.03 0.00 -1.16 0.00 0.00 32.46 30.29 3juc n ARG 21 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3juc s ASP 22 N -2.53 6.21 0.02 0.55 -1.08 -0.96 -4.91 116.67 113.97 3juc s ASP 22 Ca 0.12 -0.54 0.09 0.00 -0.52 0.00 0.00 52.55 51.69 3juc s ASP 22 Cb 0.15 -2.50 0.38 0.00 -1.46 0.00 0.00 42.92 39.48 3juc s ASP 22 CO 0.65 -1.62 1.28 0.61 0.52 0.00 0.00 175.17 176.61 3juc n GLY 23 N 5.30 -0.79 0.33 2.66 0.00 -1.26 -0.92 105.19 110.51 3juc n GLY 23 Ca 0.01 -0.02 0.22 0.00 0.00 0.00 0.00 46.02 46.23 3juc n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3juc h ALA 24 N 2.26 1.07 -0.04 4.61 0.00 -1.97 -2.65 119.26 122.54 3juc h ALA 24 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3juc h ALA 24 Cb 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3juc h ALA 24 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.97 3juc n HIS 25 N -3.18 0.02 0.00 0.00 8.25 -0.10 -5.06 115.22 115.15 3juc n HIS 25 Ca -0.03 -0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 3juc n HIS 25 Cb 0.08 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.19 3juc n HIS 25 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3juc n GLY 26 N 1.33 -0.87 3.35 -1.41 0.00 -1.00 -1.92 105.19 104.67 3juc n GLY 26 Ca 0.15 -1.97 -0.30 0.00 0.00 0.00 0.00 46.02 43.90 3juc n GLY 26 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3juc s SER 27 N -4.00 3.17 -0.04 1.61 1.04 -1.26 -4.29 113.70 109.93 3juc s SER 27 Ca 0.00 -0.60 -0.01 0.00 0.48 0.00 0.00 55.95 55.81 3juc s SER 27 Cb 0.00 -0.28 0.03 0.00 0.10 0.00 0.00 66.02 65.87 3juc s SER 27 CO 0.00 0.25 0.08 0.00 0.98 0.00 0.00 173.24 174.55 3juc s ALA 28 N -0.82 0.01 -0.12 5.32 0.00 -1.26 -2.09 121.76 122.80 3juc s ALA 28 Ca 0.12 0.39 0.02 0.00 0.00 0.00 0.00 51.96 52.49 3juc s ALA 28 Cb -0.10 -0.44 0.01 0.00 0.00 0.00 0.00 23.12 22.60 3juc s ALA 28 CO 0.02 -0.25 -0.17 0.00 0.00 0.00 0.00 175.76 175.36 3juc s ALA 29 N 1.47 1.86 0.19 0.00 0.00 0.12 -4.92 121.76 120.48 3juc s ALA 29 Ca -0.05 -0.85 -0.32 0.00 0.00 0.00 0.00 51.96 50.75 3juc s ALA 29 Cb -0.12 -0.90 -0.12 0.00 0.00 0.00 0.00 23.12 21.98 3juc s ALA 29 CO -0.04 -0.09 1.74 0.34 0.00 0.00 0.00 175.76 177.71 3juc n PHE 30 N 4.22 2.73 -0.06 0.00 7.35 -1.26 -0.61 117.46 129.82 3juc n PHE 30 Ca -0.19 0.01 -0.11 0.00 -0.76 0.00 0.00 57.45 56.40 3juc n PHE 30 Cb 0.51 -2.68 -0.05 0.00 0.35 0.00 0.00 39.48 37.61 3juc n PHE 30 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3juc n ARG 31 N 4.22 0.30 -3.52 -4.13 5.12 0.39 -4.87 116.66 114.16 3juc n ARG 31 Ca 0.16 0.10 -0.11 0.00 -1.93 0.00 0.00 57.85 56.07 3juc n ARG 31 Cb 0.35 -1.12 -0.04 0.00 -1.16 0.00 0.00 32.46 30.50 3juc n ARG 31 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3juc s ALA 32 N -2.24 -1.83 0.35 7.54 0.00 -1.11 -5.01 121.76 119.46 3juc s ALA 32 Ca -0.18 1.21 -0.25 0.00 0.00 0.00 0.00 51.96 52.75 3juc s ALA 32 Cb 0.06 0.01 -0.10 0.00 0.00 0.00 0.00 23.12 23.09 3juc s ALA 32 CO 0.26 -0.52 0.96 1.03 0.00 0.00 0.00 175.76 177.49 3juc s ARG 33 N -2.19 4.48 0.16 0.00 0.52 -1.26 -0.48 118.95 120.17 3juc s ARG 33 Ca -0.00 1.33 -0.03 0.00 -0.52 0.00 0.00 55.73 56.51 3juc s ARG 33 Cb -0.01 -2.69 -0.03 0.00 0.52 0.00 0.00 34.95 32.74 3juc s ARG 33 CO -0.03 0.18 0.12 0.20 0.02 0.00 0.00 175.30 175.80 3juc s GLY 34 N -1.68 1.01 -0.04 -3.53 0.00 -0.47 -1.18 107.32 101.42 3juc s GLY 34 Ca 0.53 -1.42 -0.02 0.00 0.00 0.00 0.00 44.72 43.81 3juc s GLY 34 CO 0.23 -1.27 0.09 -1.60 0.00 0.00 0.00 173.10 170.55 3juc s ARG 35 N -4.06 0.05 0.46 2.90 3.52 -0.40 -0.98 118.95 120.43 3juc s ARG 35 Ca 0.27 0.22 -0.24 0.00 -0.13 0.00 0.00 55.73 55.84 3juc s ARG 35 Cb 0.06 -0.11 -0.09 0.00 -1.56 0.00 0.00 34.95 33.26 3juc s ARG 35 CO 0.04 -0.11 1.28 0.25 -0.81 0.00 0.00 175.30 175.96 3juc n THR 36 N 3.75 2.85 0.09 4.11 -2.24 -0.07 -0.26 114.28 122.52 3juc n THR 36 Ca -0.21 -0.50 -0.08 0.00 -2.27 0.00 0.00 64.05 60.99 3juc n THR 36 Cb 0.54 -1.59 -0.01 0.00 -2.10 0.00 0.00 70.33 67.18 3juc n THR 36 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3juc h LEU 37 N 1.91 0.18 -9.46 3.22 3.38 -1.80 -3.42 115.31 109.32 3juc h LEU 37 Ca -0.49 -0.15 -0.65 0.00 0.09 0.00 0.00 57.88 56.68 3juc h LEU 37 Cb 1.30 -0.06 -0.12 0.00 0.09 0.00 0.00 40.66 41.87 3juc h LEU 37 CO 0.59 0.97 -0.66 -1.61 0.09 0.00 0.00 178.44 177.82 3juc s GLU 38 N -3.17 2.57 0.43 1.13 0.41 -1.26 -5.05 118.70 113.76 3juc s GLU 38 Ca -0.02 -0.82 -0.22 0.00 -0.41 0.00 0.00 54.97 53.51 3juc s GLU 38 Cb 0.10 -2.55 -0.10 0.00 -1.78 0.00 0.00 34.13 29.80 3juc s GLU 38 CO 0.82 0.55 0.97 -1.25 -0.49 0.00 0.00 175.26 175.86 3juc s PRO 39 N -2.25 4.18 0.06 0.39 0.04 -1.26 -4.67 135.00 131.49 3juc s PRO 39 Ca 0.25 1.20 0.02 0.00 0.04 0.00 0.00 61.00 62.51 3juc s PRO 39 Cb -0.12 -2.24 -0.03 0.00 0.04 0.00 0.00 34.50 32.15 3juc s PRO 39 CO 0.18 -0.08 -0.07 0.71 0.04 0.00 0.00 177.00 177.78 3juc s TYR 40 N -2.06 0.71 -0.18 0.56 2.02 -0.55 -0.65 117.35 117.20 3juc s TYR 40 Ca 0.62 -0.70 -0.29 0.00 -0.37 0.00 0.00 57.07 56.32 3juc s TYR 40 Cb -0.12 -0.43 -0.00 0.00 -0.40 0.00 0.00 41.96 41.01 3juc s TYR 40 CO 0.16 -0.14 1.12 -2.14 -1.57 0.00 0.00 175.55 172.98 3juc s PRO 41 N -2.60 4.28 -0.26 -1.71 0.02 -1.15 -2.13 135.00 131.45 3juc s PRO 41 Ca -0.01 1.48 -0.03 0.00 0.02 0.00 0.00 61.00 62.45 3juc s PRO 41 Cb -0.03 -3.66 0.02 0.00 0.02 0.00 0.00 34.50 30.85 3juc s PRO 41 CO -0.02 -0.60 -0.02 -1.17 -0.33 0.00 0.00 177.00 174.85 3juc s LEU 42 N 3.08 3.34 0.09 -5.54 2.96 -1.26 -0.97 118.68 120.39 3juc s LEU 42 Ca 0.49 -0.77 0.06 0.00 -0.22 0.00 0.00 54.13 53.69 3juc s LEU 42 Cb -0.18 -1.73 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 3juc s LEU 42 CO 0.11 -0.13 -0.17 0.68 -1.32 0.00 0.00 176.35 175.52 3juc s VAL 43 N 1.39 1.39 -0.27 1.68 -7.23 -0.70 -1.03 120.40 115.63 3juc s VAL 43 Ca 0.01 -1.48 -0.11 0.00 -1.81 0.00 0.00 61.98 58.59 3juc s VAL 43 Cb -0.17 -1.35 -0.05 0.00 0.56 0.00 0.00 36.38 35.38 3juc s VAL 43 CO -0.02 -0.20 0.21 -0.63 -0.31 0.00 0.00 175.10 174.14 3juc s ILE 44 N -1.41 5.30 0.04 -0.62 1.01 -1.26 -0.51 121.20 123.74 3juc s ILE 44 Ca 0.04 0.22 -0.14 0.00 0.00 0.00 0.00 60.65 60.77 3juc s ILE 44 Cb -0.09 -3.55 0.02 0.00 0.01 0.00 0.00 42.46 38.85 3juc s ILE 44 CO 0.03 0.25 0.30 0.00 0.00 0.00 0.00 174.94 175.52 3juc s ALA 45 N 1.72 -0.67 0.00 9.38 0.00 -0.81 -4.95 121.76 126.42 3juc s ALA 45 Ca 0.08 0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.07 3juc s ALA 45 Cb -0.16 0.28 0.00 0.00 0.00 0.00 0.00 23.12 23.25 3juc s ALA 45 CO 0.10 -0.39 0.00 0.41 0.00 0.00 0.00 175.76 175.88 3juc n GLY 46 N 0.68 -1.07 0.29 0.00 0.00 -1.26 -3.31 105.19 100.52 3juc n GLY 46 Ca -0.19 -1.63 0.19 0.00 0.00 0.00 0.00 46.02 44.39 3juc n GLY 46 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3juc h GLU 47 N 0.00 0.00 -0.04 1.61 5.08 -1.99 -1.89 114.58 117.36 3juc h GLU 47 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3juc h GLU 47 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3juc h GLU 47 CO 0.00 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 178.73 3juc n HIS 48 N -3.03 0.02 -3.83 4.33 8.25 -1.26 -4.87 115.22 114.83 3juc n HIS 48 Ca -0.01 -0.01 -0.27 0.00 -0.26 0.00 0.00 57.72 57.17 3juc n HIS 48 Cb 0.22 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.36 3juc n HIS 48 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3juc n ASN 49 N 0.74 -3.78 -4.77 0.41 3.02 -0.71 -1.47 115.26 108.70 3juc n ASN 49 Ca 0.17 -0.78 -0.38 0.00 -0.03 0.00 0.00 54.58 53.56 3juc n ASN 49 Cb 0.47 -4.02 -0.05 0.00 -0.61 0.00 0.00 39.78 35.57 3juc n ASN 49 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3juc s ILE 50 N -3.42 3.82 0.07 2.41 1.01 -1.21 -4.43 121.20 119.45 3juc s ILE 50 Ca 0.45 1.63 -0.25 0.00 0.00 0.00 0.00 60.65 62.48 3juc s ILE 50 Cb -0.22 -3.96 -0.06 0.00 0.01 0.00 0.00 42.46 38.23 3juc s ILE 50 CO 0.82 0.24 0.79 -2.16 0.00 0.00 0.00 174.94 174.62 3juc s PRO 51 N -1.83 4.53 -0.11 2.79 0.04 -1.26 -1.93 135.00 137.23 3juc s PRO 51 Ca 0.49 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.65 3juc s PRO 51 Cb -0.25 -3.35 0.02 0.00 0.04 0.00 0.00 34.50 30.96 3juc s PRO 51 CO 0.32 0.31 -0.10 -1.58 0.04 0.00 0.00 177.00 176.00 3juc s TRP 52 N -0.20 1.60 -0.72 0.56 0.52 0.33 -4.97 118.94 116.07 3juc s TRP 52 Ca 0.39 -0.79 -0.25 0.00 0.02 0.00 0.00 56.10 55.47 3juc s TRP 52 Cb -0.21 -1.27 0.05 0.00 -1.15 0.00 0.00 33.47 30.89 3juc s TRP 52 CO 0.24 -0.50 1.15 -1.17 0.02 0.00 0.00 176.95 176.69 3juc s LEU 53 N 1.50 3.73 0.27 2.99 2.96 -1.26 -1.72 118.68 127.15 3juc s LEU 53 Ca 0.02 -0.75 -0.29 0.00 -0.22 0.00 0.00 54.13 52.88 3juc s LEU 53 Cb -0.13 -2.50 -0.09 0.00 0.50 0.00 0.00 46.19 43.97 3juc s LEU 53 CO -0.07 -1.64 1.23 -0.76 -1.32 0.00 0.00 176.35 173.79 3juc s LEU 54 N 4.94 4.47 -1.40 -0.68 1.43 -0.14 -0.99 118.68 126.30 3juc s LEU 54 Ca 0.30 2.44 -0.12 0.00 -1.03 0.00 0.00 54.13 55.71 3juc s LEU 54 Cb -0.11 -3.63 0.08 0.00 0.03 0.00 0.00 46.19 42.56 3juc s LEU 54 CO 0.11 -0.39 2.13 1.57 0.23 0.00 0.00 176.35 180.00 3juc n HIS 55 N 1.52 3.32 -2.95 0.29 -0.00 -0.07 -4.25 115.22 113.07 3juc n HIS 55 Ca 0.01 -2.92 -0.21 0.00 -0.00 0.00 0.00 57.72 54.61 3juc n HIS 55 Cb 0.43 -2.35 -0.02 0.00 -0.00 0.00 0.00 29.99 28.04 3juc n HIS 55 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 3juc n LEU 56 N 5.31 2.68 -4.75 0.27 4.77 -1.26 -4.92 117.00 119.10 3juc n LEU 56 Ca 0.48 -5.12 -0.41 0.00 -0.03 0.00 0.00 56.01 50.93 3juc n LEU 56 Cb 0.38 0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 3juc n LEU 56 CO 0.87 2.22 1.04 -0.81 -1.33 0.00 0.00 177.39 179.39 3juc n PRO 57 N -0.04 2.42 -0.09 3.23 -0.04 -1.26 -2.38 135.00 136.84 3juc n PRO 57 Ca 0.27 0.85 0.00 0.00 -0.04 0.00 0.00 63.50 64.58 3juc n PRO 57 Cb 0.58 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.49 3juc n PRO 57 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3juc n GLY 58 N 0.58 0.66 3.22 0.55 0.00 0.18 -4.99 105.19 105.39 3juc n GLY 58 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 3juc n GLY 58 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3juc s SER 59 N -2.72 0.35 0.78 1.61 1.04 -1.00 -4.92 113.70 108.83 3juc s SER 59 Ca 0.00 -1.38 0.00 0.00 0.48 0.00 0.00 55.95 55.05 3juc s SER 59 Cb 0.00 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.46 3juc s SER 59 CO 0.00 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.01 3juc n GLY 60 N -0.30 0.40 3.11 7.32 0.00 -1.26 -1.58 105.19 112.88 3juc n GLY 60 Ca 0.01 -0.83 -0.07 0.00 0.00 0.00 0.00 46.02 45.13 3juc n GLY 60 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3juc s ARG 61 N 0.00 0.66 0.20 1.61 0.52 -0.91 -4.80 118.95 116.23 3juc s ARG 61 Ca 0.00 -1.16 -0.30 0.00 -0.52 0.00 0.00 55.73 53.75 3juc s ARG 61 Cb 0.00 0.24 -0.09 0.00 0.52 0.00 0.00 34.95 35.61 3juc s ARG 61 CO 0.00 -0.14 1.40 -0.51 0.02 0.00 0.00 175.30 176.07 3juc s LEU 62 N -2.89 4.39 -0.19 2.53 1.43 -1.26 -1.48 118.68 121.22 3juc s LEU 62 Ca 0.06 2.52 -0.06 0.00 -1.03 0.00 0.00 54.13 55.62 3juc s LEU 62 Cb 0.07 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.65 3juc s LEU 62 CO -0.10 -0.64 0.02 -0.69 0.23 0.00 0.00 176.35 175.16 3juc s VAL 63 N 0.31 4.27 0.31 -1.59 1.01 -1.26 -4.56 120.40 118.89 3juc s VAL 63 Ca 0.60 -0.21 -0.19 0.00 0.00 0.00 0.00 61.98 62.18 3juc s VAL 63 Cb -0.39 -2.92 -0.09 0.00 0.00 0.00 0.00 36.38 32.97 3juc s VAL 63 CO 0.38 0.45 0.81 -1.61 0.00 0.00 0.00 175.10 175.13 3juc s GLU 64 N 0.65 4.22 0.00 2.72 0.41 0.13 -0.89 118.70 125.94 3juc s GLU 64 Ca 0.01 0.92 0.00 0.00 -0.41 0.00 0.00 54.97 55.49 3juc s GLU 64 Cb -0.14 -2.59 0.00 0.00 -1.78 0.00 0.00 34.13 29.63 3juc s GLU 64 CO 0.02 0.22 0.00 0.41 -0.49 0.00 0.00 175.26 175.42 3juc n GLY 65 N 0.08 1.66 2.97 -1.39 0.00 -0.15 -4.70 105.19 103.65 3juc n GLY 65 Ca 0.02 -0.70 -0.18 0.00 0.00 0.00 0.00 46.02 45.16 3juc n GLY 65 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3juc s GLU 66 N 0.61 0.69 -0.24 1.61 2.02 -0.25 -1.37 118.70 121.77 3juc s GLU 66 Ca 0.00 -0.22 -0.11 0.00 0.02 0.00 0.00 54.97 54.66 3juc s GLU 66 Cb 0.00 -0.67 -0.05 0.00 0.10 0.00 0.00 34.13 33.51 3juc s GLU 66 CO 0.00 0.09 0.19 0.08 0.02 0.00 0.00 175.26 175.64 3juc s VAL 67 N 0.15 5.34 -0.04 2.63 1.01 0.37 -0.85 120.40 129.00 3juc s VAL 67 Ca -0.02 0.23 0.05 0.00 0.00 0.00 0.00 61.98 62.24 3juc s VAL 67 Cb -0.06 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 3juc s VAL 67 CO -0.00 0.32 -0.19 -0.31 0.00 0.00 0.00 175.10 174.93 3juc s TYR 68 N 1.18 2.56 -0.24 5.22 2.02 -0.24 -0.46 117.35 127.39 3juc s TYR 68 Ca 0.09 -0.28 -0.21 0.00 -0.37 0.00 0.00 57.07 56.29 3juc s TYR 68 Cb -0.14 -1.59 -0.02 0.00 -0.40 0.00 0.00 41.96 39.82 3juc s TYR 68 CO 0.06 0.09 0.67 0.00 -1.57 0.00 0.00 175.55 174.80 3juc s ALA 69 N -0.65 3.61 0.09 3.71 0.00 0.22 -0.92 121.76 127.81 3juc s ALA 69 Ca 0.10 -0.34 0.10 0.00 0.00 0.00 0.00 51.96 51.82 3juc s ALA 69 Cb -0.11 -3.08 -0.03 0.00 0.00 0.00 0.00 23.12 19.90 3juc s ALA 69 CO 0.00 -0.79 -0.25 0.14 0.00 0.00 0.00 175.76 174.86 3juc s VAL 70 N 2.46 2.08 0.86 0.00 -7.23 0.04 -0.70 120.40 117.91 3juc s VAL 70 Ca 0.29 -1.56 -0.11 0.00 -1.81 0.00 0.00 61.98 58.79 3juc s VAL 70 Cb -0.16 -1.83 0.16 0.00 0.56 0.00 0.00 36.38 35.12 3juc s VAL 70 CO 0.09 0.16 1.20 1.51 -0.31 0.00 0.00 175.10 177.75 3juc s ASP 71 N -1.70 3.70 0.31 4.85 -4.77 -0.89 -1.29 116.67 116.88 3juc s ASP 71 Ca 0.12 0.15 0.10 0.00 -3.30 0.00 0.00 52.55 49.62 3juc s ASP 71 Cb -0.10 -0.38 0.51 0.00 -1.09 0.00 0.00 42.92 41.87 3juc s ASP 71 CO 0.04 -2.34 1.71 -0.33 0.70 0.00 0.00 175.17 174.96 3juc h GLU 72 N -1.21 0.08 -0.33 2.11 4.39 -1.93 -1.22 114.58 116.48 3juc h GLU 72 Ca -0.42 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.23 3juc h GLU 72 Cb 1.26 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.89 3juc h GLU 72 CO 0.43 0.53 0.20 0.00 -1.16 0.00 0.00 179.01 179.01 3juc h ARG 73 N 0.07 0.45 -0.55 2.33 3.08 -1.94 -1.37 114.38 116.46 3juc h ARG 73 Ca 0.00 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 59.89 3juc h ARG 73 Cb 0.85 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.79 3juc h ARG 73 CO 0.06 0.35 -0.10 1.98 -1.07 0.00 0.00 179.97 181.19 3juc h MET 74 N 0.43 1.03 -0.60 0.04 4.05 -1.04 -1.66 114.93 117.18 3juc h MET 74 Ca 0.12 -0.38 -0.02 0.00 -0.28 0.00 0.00 59.70 59.13 3juc h MET 74 Cb 0.02 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 30.72 3juc h MET 74 CO -0.02 1.07 0.29 1.25 0.23 0.00 0.00 176.91 179.73 3juc h LEU 75 N 0.91 0.79 -0.97 3.39 5.85 -1.09 0.33 115.31 124.52 3juc h LEU 75 Ca 0.14 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 3juc h LEU 75 Cb 0.68 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 3juc h LEU 75 CO 0.05 0.70 0.12 0.03 -0.34 0.00 0.00 178.44 179.00 3juc h ARG 76 N 0.82 0.87 0.12 1.25 3.08 -1.08 -0.78 114.38 118.66 3juc h ARG 76 Ca 0.21 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 3juc h ARG 76 Cb 0.12 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3juc h ARG 76 CO -0.03 0.79 -0.06 0.35 -1.07 0.00 0.00 179.97 179.96 3juc h PHE 77 N 0.83 -0.15 -0.80 3.04 3.57 -0.90 -2.95 116.94 119.58 3juc h PHE 77 Ca 0.18 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 3juc h PHE 77 Cb 0.32 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.07 3juc h PHE 77 CO 0.02 -0.07 0.42 -0.07 -2.23 0.00 0.00 178.31 176.38 3juc h LEU 78 N -0.19 1.01 -0.75 0.59 3.38 -0.66 0.14 115.31 118.83 3juc h LEU 78 Ca -0.02 -0.10 0.07 0.00 0.09 0.00 0.00 57.88 57.93 3juc h LEU 78 Cb 0.15 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.58 3juc h LEU 78 CO 0.03 0.83 0.43 0.44 0.09 0.00 0.00 178.44 180.26 3juc h ASP 79 N 1.13 0.64 0.32 -0.43 3.32 -1.06 -0.61 116.42 119.73 3juc h ASP 79 Ca 0.28 0.03 -0.22 0.00 0.02 0.00 0.00 57.03 57.15 3juc h ASP 79 Cb 0.06 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.51 3juc h ASP 79 CO -0.04 0.40 -0.90 0.44 -1.72 0.00 0.00 179.24 177.41 3juc h ASP 80 N 0.77 0.52 -0.72 6.45 3.32 -1.21 -0.82 116.42 124.73 3juc h ASP 80 Ca 0.34 -0.40 0.07 0.00 0.02 0.00 0.00 57.03 57.06 3juc h ASP 80 Cb 0.23 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.58 3juc h ASP 80 CO -0.20 1.19 0.47 0.15 -1.72 0.00 0.00 179.24 179.14 3juc h PHE 81 N 0.24 0.72 -0.58 4.55 3.57 -0.30 -1.49 116.94 123.64 3juc h PHE 81 Ca -0.07 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.45 3juc h PHE 81 Cb 1.52 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 40.03 3juc h PHE 81 CO 0.06 0.37 0.00 0.39 -2.23 0.00 0.00 178.31 176.90 3juc n GLU 82 N -4.48 2.54 -3.87 1.11 -0.58 -0.28 -4.96 120.64 110.12 3juc n GLU 82 Ca 0.11 -2.18 -0.27 0.00 -0.42 0.00 0.00 57.16 54.40 3juc n GLU 82 Cb 0.26 -1.52 0.02 0.00 -0.57 0.00 0.00 31.44 29.63 3juc n GLU 82 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 3juc n SER 83 N 1.17 -3.27 -4.78 1.62 7.64 -0.56 -3.35 113.62 112.08 3juc n SER 83 Ca 0.20 -0.82 -0.38 0.00 1.01 0.00 0.00 58.87 58.88 3juc n SER 83 Cb 0.55 -3.82 -0.06 0.00 -1.01 0.00 0.00 64.21 59.86 3juc n SER 83 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3juc n PRO 85 N 0.97 2.33 0.01 0.00 -0.04 -1.26 -4.81 135.00 132.20 3juc n PRO 85 Ca -0.01 -2.03 -0.12 0.00 -0.04 0.00 0.00 63.50 61.29 3juc n PRO 85 Cb 0.49 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 3juc n PRO 85 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3juc h ALA 86 N 4.30 0.53 0.00 0.55 0.00 -1.80 -3.41 119.26 119.43 3juc h ALA 86 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3juc h ALA 86 Cb 0.84 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3juc h ALA 86 CO 0.00 0.72 -0.70 1.28 0.00 0.00 0.00 179.25 180.55 3juc n LEU 87 N -3.90 1.51 -4.84 0.00 4.77 -0.36 -5.00 117.00 109.20 3juc n LEU 87 Ca -0.05 0.25 -0.22 0.00 -0.03 0.00 0.00 56.01 55.96 3juc n LEU 87 Cb 0.69 -0.63 -0.04 0.00 -2.33 0.00 0.00 43.42 41.11 3juc n LEU 87 CO 0.49 -0.37 -0.15 -0.31 -1.33 0.00 0.00 177.39 175.72 3juc s TYR 88 N -2.48 3.12 0.05 -1.77 2.02 -1.21 -4.75 117.35 112.33 3juc s TYR 88 Ca -0.20 -0.12 0.09 0.00 -0.37 0.00 0.00 57.07 56.47 3juc s TYR 88 Cb 0.03 -1.44 -0.03 0.00 -0.40 0.00 0.00 41.96 40.12 3juc s TYR 88 CO 0.30 0.49 -0.26 -0.65 -1.57 0.00 0.00 175.55 173.86 3juc s GLN 89 N -3.86 1.75 -0.46 -0.62 1.11 0.41 -4.03 119.66 113.95 3juc s GLN 89 Ca 0.34 -1.12 -0.23 0.00 0.01 0.00 0.00 55.36 54.36 3juc s GLN 89 Cb -0.08 -1.95 0.03 0.00 -1.01 0.00 0.00 33.01 30.00 3juc s GLN 89 CO 0.25 0.50 0.82 0.50 0.01 0.00 0.00 175.29 177.37 3juc s ARG 90 N -1.28 3.41 0.52 2.91 3.52 -1.26 -1.17 118.95 125.60 3juc s ARG 90 Ca 0.12 -0.09 0.03 0.00 -0.13 0.00 0.00 55.73 55.65 3juc s ARG 90 Cb -0.10 -3.95 0.01 0.00 -1.56 0.00 0.00 34.95 29.35 3juc s ARG 90 CO 0.02 -1.17 0.17 0.95 -0.81 0.00 0.00 175.30 174.46 3juc s THR 91 N 3.41 1.37 0.03 4.11 -4.23 -0.26 -4.92 115.64 115.15 3juc s THR 91 Ca 0.31 -1.79 0.07 0.00 -1.18 0.00 0.00 61.69 59.09 3juc s THR 91 Cb -0.12 -2.16 -0.03 0.00 1.34 0.00 0.00 72.50 71.53 3juc s THR 91 CO 0.23 0.00 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.44 3juc s VAL 92 N -2.83 2.79 0.19 2.29 1.01 -1.26 -0.82 120.40 121.77 3juc s VAL 92 Ca 0.17 -1.13 -0.15 0.00 0.00 0.00 0.00 61.98 60.88 3juc s VAL 92 Cb 0.00 -2.16 0.01 0.00 0.00 0.00 0.00 36.38 34.24 3juc s VAL 92 CO 0.10 0.38 0.46 -1.48 0.00 0.00 0.00 175.10 174.56 3juc s LEU 93 N -1.32 0.34 -0.15 3.92 2.34 -0.61 -4.95 118.68 118.26 3juc s LEU 93 Ca 0.14 -0.63 -0.06 0.00 0.06 0.00 0.00 54.13 53.64 3juc s LEU 93 Cb -0.10 1.85 -0.04 0.00 -0.56 0.00 0.00 46.19 47.34 3juc s LEU 93 CO 0.04 -1.02 0.07 -0.13 -1.06 0.00 0.00 176.35 174.25 3juc s ARG 94 N -3.91 3.65 -0.02 1.48 0.52 -1.26 -1.01 118.95 118.40 3juc s ARG 94 Ca 0.13 -0.31 0.08 0.00 -0.52 0.00 0.00 55.73 55.11 3juc s ARG 94 Cb 0.00 -3.12 -0.02 0.00 0.52 0.00 0.00 34.95 32.33 3juc s ARG 94 CO -0.01 0.48 -0.25 0.08 0.02 0.00 0.00 175.30 175.62 3juc s VAL 95 N -0.21 2.00 -0.07 3.52 1.01 -0.28 -2.32 120.40 124.05 3juc s VAL 95 Ca 0.08 -1.09 -0.27 0.00 0.00 0.00 0.00 61.98 60.70 3juc s VAL 95 Cb -0.12 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 3juc s VAL 95 CO 0.01 0.56 0.86 -1.58 0.00 0.00 0.00 175.10 174.95 3juc s GLN 96 N -0.61 4.45 0.04 2.72 0.74 0.64 -1.08 119.66 126.57 3juc s GLN 96 Ca 0.10 1.15 -0.30 0.00 0.05 0.00 0.00 55.36 56.36 3juc s GLN 96 Cb -0.10 -3.49 -0.04 0.00 1.10 0.00 0.00 33.01 30.48 3juc s GLN 96 CO -0.01 -0.09 1.00 -0.51 -0.55 0.00 0.00 175.29 175.12 3juc s LEU 97 N 1.27 4.41 -0.29 3.68 1.43 0.14 -1.28 118.68 128.04 3juc s LEU 97 Ca 0.44 1.74 -0.06 0.00 -1.03 0.00 0.00 54.13 55.21 3juc s LEU 97 Cb -0.19 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.46 3juc s LEU 97 CO 0.20 -0.23 0.07 -0.76 0.23 0.00 0.00 176.35 175.87 3juc s LEU 98 N 0.71 3.75 0.31 1.79 1.43 -0.33 -4.91 118.68 121.43 3juc s LEU 98 Ca 0.51 -0.66 -0.07 0.00 -1.03 0.00 0.00 54.13 52.87 3juc s LEU 98 Cb -0.23 -1.87 -0.06 0.00 0.03 0.00 0.00 46.19 44.07 3juc s LEU 98 CO 0.29 -0.17 0.61 -1.83 0.23 0.00 0.00 176.35 175.48 3juc s GLU 99 N 1.50 3.70 0.44 1.70 4.04 -1.26 -4.45 118.70 124.38 3juc s GLU 99 Ca 0.03 0.18 0.11 0.00 0.04 0.00 0.00 54.97 55.33 3juc s GLU 99 Cb -0.17 -2.58 0.99 0.00 0.02 0.00 0.00 34.13 32.39 3juc s GLU 99 CO 0.02 0.16 2.05 -0.44 -1.84 0.00 0.00 175.26 175.22 3juc h ASP 100 N 1.72 0.23 -4.10 0.83 5.19 -2.00 -3.42 116.42 114.87 3juc h ASP 100 Ca -0.47 -0.02 -0.47 0.00 -0.62 0.00 0.00 57.03 55.45 3juc h ASP 100 Cb 1.19 -0.06 -0.29 0.00 0.18 0.00 0.00 39.33 40.34 3juc h ASP 100 CO 0.66 0.23 -0.81 -0.13 -3.12 0.00 0.00 179.24 176.07 3juc s ARG 101 N -5.12 1.10 0.64 3.56 3.00 -1.26 -5.14 118.95 115.74 3juc s ARG 101 Ca -0.06 -0.45 -0.18 0.00 0.00 0.00 0.00 55.73 55.04 3juc s ARG 101 Cb 0.17 -1.05 -0.03 0.00 0.00 0.00 0.00 34.95 34.04 3juc s ARG 101 CO 0.71 0.25 0.94 0.00 0.00 0.00 0.00 175.30 177.21 3juc n ALA 102 N 2.87 0.01 -1.00 2.13 0.00 -1.26 -5.17 120.51 118.09 3juc n ALA 102 Ca -0.15 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3juc n ALA 102 Cb 0.55 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.90 3juc n ALA 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3juc n PRO 103 N -1.23 2.22 0.00 0.00 -0.04 -1.26 -5.15 135.00 129.54 3juc n PRO 103 Ca 0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 3juc n PRO 103 Cb 0.48 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.94 3juc n PRO 103 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3juc n GLU 106 N 0.00 0.00 -5.01 0.54 4.71 -1.26 -5.21 120.64 114.41 3juc n GLU 106 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.16 56.84 3juc n GLU 106 Cb 0.00 0.00 -0.15 0.00 -1.01 0.00 0.00 31.44 30.28 3juc n GLU 106 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 3juc s GLU 107 N -4.93 2.04 0.72 3.49 2.56 -1.26 -3.49 118.70 117.84 3juc s GLU 107 Ca 0.00 -0.97 -0.15 0.00 0.00 0.00 0.00 54.97 53.85 3juc s GLU 107 Cb 0.00 -2.08 0.04 0.00 2.00 0.00 0.00 34.13 34.08 3juc s GLU 107 CO 0.00 0.55 1.19 -1.25 -0.56 0.00 0.00 175.26 175.19 3juc s PRO 108 N -0.99 2.21 0.81 4.30 0.04 -1.26 -5.12 135.00 134.99 3juc s PRO 108 Ca 0.12 1.70 -0.11 0.00 0.04 0.00 0.00 61.00 62.74 3juc s PRO 108 Cb -0.10 -1.85 0.08 0.00 0.04 0.00 0.00 34.50 32.67 3juc s PRO 108 CO 0.01 -1.77 1.09 -1.25 0.04 0.00 0.00 177.00 175.12 3juc s PRO 109 N -3.96 1.97 0.29 0.56 0.04 -1.23 -5.00 135.00 127.68 3juc s PRO 109 Ca 0.73 0.82 -0.29 0.00 0.04 0.00 0.00 61.00 62.29 3juc s PRO 109 Cb -0.28 -1.89 -0.10 0.00 0.04 0.00 0.00 34.50 32.27 3juc s PRO 109 CO 0.45 -1.75 1.26 0.00 0.04 0.00 0.00 177.00 177.01 3juc s ALA 110 N -3.03 3.48 0.59 8.56 0.00 -1.26 -4.99 121.76 125.10 3juc s ALA 110 Ca 0.61 1.15 -0.18 0.00 0.00 0.00 0.00 51.96 53.54 3juc s ALA 110 Cb -0.16 -3.44 -0.06 0.00 0.00 0.00 0.00 23.12 19.45 3juc s ALA 110 CO 0.55 -0.51 0.79 -2.30 0.00 0.00 0.00 175.76 174.29 3juc n PRO 111 N 1.24 0.74 -0.01 0.00 -0.02 -1.26 -4.94 135.00 130.76 3juc n PRO 111 Ca 0.01 0.29 0.01 0.00 -2.02 0.00 0.00 63.50 61.78 3juc n PRO 111 Cb 0.43 -1.98 0.01 0.00 -0.02 0.00 0.00 33.50 31.94 3juc n PRO 111 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3juc n THR 112 N -1.70 0.83 -4.05 3.45 -2.24 -1.26 -4.96 114.28 104.34 3juc n THR 112 Ca 0.13 -0.85 -0.09 0.00 -2.27 0.00 0.00 64.05 60.98 3juc n THR 112 Cb 0.47 0.56 -0.11 0.00 -2.10 0.00 0.00 70.33 69.16 3juc n THR 112 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3juc s ALA 113 N -0.88 0.40 -0.14 6.98 0.00 -1.26 -0.69 121.76 126.17 3juc s ALA 113 Ca 0.02 -0.94 -0.16 0.00 0.00 0.00 0.00 51.96 50.88 3juc s ALA 113 Cb 0.01 0.19 0.04 0.00 0.00 0.00 0.00 23.12 23.37 3juc s ALA 113 CO 0.00 -0.24 0.43 0.54 0.00 0.00 0.00 175.76 176.49 3juc s VAL 114 N -2.70 0.01 0.08 0.00 0.11 -0.24 -4.92 120.40 112.74 3juc s VAL 114 Ca -0.03 -0.06 -0.29 0.00 -2.93 0.00 0.00 61.98 58.67 3juc s VAL 114 Cb -0.01 -0.62 -0.05 0.00 -1.53 0.00 0.00 36.38 34.16 3juc s VAL 114 CO -0.05 -0.03 0.93 -1.58 -3.33 0.00 0.00 175.10 171.04 3juc s GLN 115 N -0.01 4.64 0.09 1.54 0.74 -1.26 -1.13 119.66 124.28 3juc s GLN 115 Ca -0.02 1.38 0.02 0.00 0.05 0.00 0.00 55.36 56.79 3juc s GLN 115 Cb -0.03 -3.39 -0.04 0.00 1.10 0.00 0.00 33.01 30.65 3juc s GLN 115 CO 0.01 0.19 -0.08 0.00 -0.55 0.00 0.00 175.29 174.87 3juc s PHE 117 N -3.04 3.18 0.01 0.00 0.08 0.08 -1.57 117.98 116.73 3juc s PHE 117 Ca 0.08 1.48 -0.12 0.00 0.12 0.00 0.00 56.93 58.48 3juc s PHE 117 Cb 0.01 -2.91 0.01 0.00 -0.57 0.00 0.00 43.02 39.56 3juc s PHE 117 CO -0.03 -0.88 0.26 0.54 -0.10 0.00 0.00 175.22 175.01 3juc s VAL 118 N -2.60 0.08 -0.50 -0.44 0.11 0.00 -0.53 120.40 116.51 3juc s VAL 118 Ca 0.61 -0.64 -0.19 0.00 -2.93 0.00 0.00 61.98 58.83 3juc s VAL 118 Cb -0.14 -0.72 0.06 0.00 -1.53 0.00 0.00 36.38 34.05 3juc s VAL 118 CO 0.38 -0.35 0.59 -0.31 -3.33 0.00 0.00 175.10 172.08 3juc s TYR 119 N -1.88 3.08 0.44 1.54 2.02 -1.26 -1.10 117.35 120.19 3juc s TYR 119 Ca -0.10 -0.57 0.06 0.00 -0.37 0.00 0.00 57.07 56.10 3juc s TYR 119 Cb -0.04 -3.46 -0.04 0.00 -0.40 0.00 0.00 41.96 38.02 3juc s TYR 119 CO 0.00 -0.99 0.18 -1.54 -1.57 0.00 0.00 175.55 171.63 3juc s SER 120 N 2.63 4.37 -0.10 2.29 1.04 -0.32 -4.52 113.70 119.09 3juc s SER 120 Ca 0.14 -1.19 -0.01 0.00 0.48 0.00 0.00 55.95 55.37 3juc s SER 120 Cb -0.20 -0.24 0.03 0.00 0.10 0.00 0.00 66.02 65.71 3juc s SER 120 CO 0.11 -0.65 -0.05 -0.60 0.98 0.00 0.00 173.24 173.04 3juc s ARG 121 N -3.93 1.20 -0.04 4.02 3.52 -0.16 -0.45 118.95 123.11 3juc s ARG 121 Ca 0.36 -0.13 0.13 0.00 -0.13 0.00 0.00 55.73 55.96 3juc s ARG 121 Cb 0.03 -1.36 -0.22 0.00 -1.56 0.00 0.00 34.95 31.84 3juc s ARG 121 CO 0.20 -0.27 0.65 0.00 -0.81 0.00 0.00 175.30 175.07 3juc n ALA 122 N 4.99 1.56 -4.04 6.12 0.00 -1.26 -0.90 120.51 126.98 3juc n ALA 122 Ca -0.11 -0.77 -0.31 0.00 0.00 0.00 0.00 53.44 52.26 3juc n ALA 122 Cb 0.50 -0.83 -0.16 0.00 0.00 0.00 0.00 19.45 18.96 3juc n ALA 122 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3juc s THR 123 N -2.64 1.66 0.14 0.00 2.01 -1.26 -4.84 115.64 110.71 3juc s THR 123 Ca -0.05 -0.69 -0.18 0.00 0.31 0.00 0.00 61.69 61.08 3juc s THR 123 Cb 0.08 -1.55 0.05 0.00 0.01 0.00 0.00 72.50 71.09 3juc s THR 123 CO 0.82 0.47 0.48 0.72 -0.69 0.00 0.00 174.62 176.43 3juc s PHE 124 N 1.45 -0.30 0.07 4.92 -0.12 -1.26 -5.09 117.98 117.65 3juc s PHE 124 Ca 0.05 0.02 -0.35 0.00 -0.05 0.00 0.00 56.93 56.60 3juc s PHE 124 Cb -0.13 0.37 -0.14 0.00 -0.63 0.00 0.00 43.02 42.49 3juc s PHE 124 CO -0.11 -0.77 1.63 -2.30 -0.05 0.00 0.00 175.22 173.62 3juc n PRO 125 N -0.29 1.99 0.08 1.99 -0.02 -1.26 -4.84 135.00 132.66 3juc n PRO 125 Ca -0.16 0.72 0.09 0.00 -2.02 0.00 0.00 63.50 62.14 3juc n PRO 125 Cb 0.64 -2.49 0.55 0.00 -0.02 0.00 0.00 33.50 32.18 3juc n PRO 125 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3juc h PRO 126 N 6.61 0.24 0.00 0.52 0.11 -2.02 -0.39 132.00 137.07 3juc h PRO 126 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3juc h PRO 126 Cb 1.27 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3juc h PRO 126 CO 0.89 0.16 0.00 1.05 -0.21 0.00 0.00 178.00 179.89 3juc h GLU 127 N 0.25 0.00 -0.34 1.05 9.09 -2.02 -2.03 114.58 120.57 3juc h GLU 127 Ca 0.13 0.00 0.04 0.00 0.05 0.00 0.00 59.36 59.58 3juc h GLU 127 Cb 0.21 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.30 3juc h GLU 127 CO -0.03 0.00 0.23 -1.49 0.05 0.00 0.00 179.01 177.78 3juc h TRP 128 N 0.00 0.28 0.00 2.06 4.06 -1.42 -1.48 115.95 119.45 3juc h TRP 128 Ca 0.00 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.96 3juc h TRP 128 Cb 0.20 -0.09 0.00 0.00 -1.00 0.00 0.00 29.16 28.26 3juc h TRP 128 CO 0.00 0.16 0.00 0.00 -3.56 0.00 0.00 178.44 175.04 3juc h ALA 129 N 1.81 1.00 -0.02 1.49 0.00 -1.56 -2.24 119.26 119.74 3juc h ALA 129 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3juc h ALA 129 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3juc h ALA 129 CO -0.03 0.00 -0.27 1.04 0.00 0.00 0.00 179.25 179.98 3juc n GLN 130 N -2.75 1.58 -0.76 0.00 1.13 -0.56 -4.95 117.38 111.06 3juc n GLN 130 Ca -0.01 -1.26 -0.30 0.00 -1.94 0.00 0.00 57.00 53.49 3juc n GLN 130 Cb 0.14 -1.47 0.19 0.00 0.11 0.00 0.00 30.24 29.20 3juc n GLN 130 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3juc s LEU 131 N -2.30 1.96 0.25 1.08 1.43 -0.85 -4.91 118.68 115.35 3juc s LEU 131 Ca 0.23 1.78 -0.31 0.00 -1.03 0.00 0.00 54.13 54.80 3juc s LEU 131 Cb 0.19 -4.00 -0.13 0.00 0.03 0.00 0.00 46.19 42.28 3juc s LEU 131 CO 0.46 -3.40 1.40 -2.65 0.23 0.00 0.00 176.35 172.40 3juc n PRO 132 N -4.40 2.05 -3.34 1.29 -0.02 -1.26 -4.96 135.00 124.36 3juc n PRO 132 Ca 0.07 0.73 -0.38 0.00 -2.02 0.00 0.00 63.50 61.90 3juc n PRO 132 Cb 0.54 -2.38 -0.06 0.00 -0.02 0.00 0.00 33.50 31.57 3juc n PRO 132 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3juc s HIS 133 N -0.12 3.60 -0.07 6.00 3.76 -1.26 -4.46 115.29 122.74 3juc s HIS 133 Ca 0.67 0.97 -0.01 0.00 -0.15 0.00 0.00 55.06 56.53 3juc s HIS 133 Cb -0.64 -2.49 -0.03 0.00 1.11 0.00 0.00 32.58 30.52 3juc s HIS 133 CO 0.50 0.32 0.02 -1.01 -0.85 0.00 0.00 174.74 173.72 3juc s HIS 134 N 0.05 3.18 -0.08 1.40 3.76 -0.20 -4.97 115.29 118.44 3juc s HIS 134 Ca 0.26 0.19 0.12 0.00 -0.15 0.00 0.00 55.06 55.48 3juc s HIS 134 Cb -0.16 -1.77 -0.24 0.00 1.11 0.00 0.00 32.58 31.52 3juc s HIS 134 CO 0.12 0.49 0.52 -0.40 -0.85 0.00 0.00 174.74 174.62 3juc n ASP 135 N 1.93 0.85 -3.57 1.40 5.75 -1.26 -4.40 116.55 117.25 3juc n ASP 135 Ca -0.18 0.32 -0.20 0.00 -0.01 0.00 0.00 54.79 54.72 3juc n ASP 135 Cb 0.53 0.04 -0.15 0.00 -1.03 0.00 0.00 41.12 40.52 3juc n ASP 135 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3juc s SER 136 N -6.08 1.54 0.23 -1.12 0.15 -1.26 -0.70 113.70 106.46 3juc s SER 136 Ca -0.08 -0.22 -0.30 0.00 0.70 0.00 0.00 55.95 56.05 3juc s SER 136 Cb 0.08 0.16 -0.09 0.00 -1.71 0.00 0.00 66.02 64.46 3juc s SER 136 CO 0.82 -0.32 1.09 -0.47 1.20 0.00 0.00 173.24 175.56 3juc s TYR 137 N 2.26 3.62 -0.10 3.44 5.04 -1.26 -5.05 117.35 125.31 3juc s TYR 137 Ca 0.05 1.67 -0.04 0.00 -2.44 0.00 0.00 57.07 56.31 3juc s TYR 137 Cb -0.15 -3.26 0.05 0.00 0.35 0.00 0.00 41.96 38.96 3juc s TYR 137 CO -0.10 -0.50 0.19 0.34 -1.34 0.00 0.00 175.55 174.15 3juc s ASP 138 N -0.54 0.39 0.35 4.32 2.15 -1.26 -4.92 116.67 117.15 3juc s ASP 138 Ca 0.46 0.42 0.09 0.00 0.43 0.00 0.00 52.55 53.96 3juc s ASP 138 Cb -0.30 0.39 0.83 0.00 -0.30 0.00 0.00 42.92 43.54 3juc s ASP 138 CO 0.37 -0.22 1.85 -1.28 -0.17 0.00 0.00 175.17 175.72 3juc h SER 139 N 8.03 0.66 -0.70 -0.34 0.87 -1.95 -0.83 113.55 119.29 3juc h SER 139 Ca -0.21 0.05 -0.23 0.00 -1.23 0.00 0.00 61.79 60.17 3juc h SER 139 Cb 1.12 -0.08 -0.14 0.00 -0.44 0.00 0.00 62.40 62.87 3juc h SER 139 CO 0.21 0.30 0.29 -0.62 -0.53 0.00 0.00 176.83 176.49 3juc n GLU 140 N -4.59 3.33 -1.70 2.24 -0.58 -1.26 -3.78 120.64 114.30 3juc n GLU 140 Ca 0.19 -2.76 -0.30 0.00 -0.42 0.00 0.00 57.16 53.87 3juc n GLU 140 Cb 0.52 -2.13 0.21 0.00 -0.57 0.00 0.00 31.44 29.47 3juc n GLU 140 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3juc s GLY 141 N -0.87 1.74 0.43 0.62 0.00 -0.32 -4.93 107.32 103.99 3juc s GLY 141 Ca 0.50 -1.18 0.30 0.00 0.00 0.00 0.00 44.72 44.34 3juc s GLY 141 CO 0.12 -0.35 1.90 -2.55 0.00 0.00 0.00 173.10 172.22 3juc h PRO 142 N -1.95 0.00 0.00 2.90 0.11 -1.94 -2.41 132.00 128.72 3juc h PRO 142 Ca -0.44 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 3juc h PRO 142 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 3juc h PRO 142 CO 0.35 0.00 -0.14 1.12 -0.21 0.00 0.00 178.00 179.12 3juc h HIS 143 N 0.00 0.00 0.00 0.65 2.07 -1.93 -3.47 115.15 112.48 3juc h HIS 143 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3juc h HIS 143 Cb 0.27 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.25 3juc h HIS 143 CO 0.00 0.14 0.00 0.41 -3.07 0.00 0.00 177.93 175.41 3juc n GLY 144 N -0.62 0.91 3.36 6.13 0.00 -0.91 -4.96 105.19 109.10 3juc n GLY 144 Ca -0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 3juc n GLY 144 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3juc n LEU 145 N 0.00 5.48 -4.76 0.99 4.77 -1.26 -5.00 117.00 117.22 3juc n LEU 145 Ca 0.00 -4.54 -0.41 0.00 -0.03 0.00 0.00 56.01 51.04 3juc n LEU 145 Cb 0.00 -1.58 -0.03 0.00 -2.33 0.00 0.00 43.42 39.47 3juc n LEU 145 CO 0.00 0.88 0.90 -0.13 -1.33 0.00 0.00 177.39 177.71 3juc s ARG 146 N 1.14 4.48 0.28 3.23 0.52 -1.25 -4.88 118.95 122.48 3juc s ARG 146 Ca 0.41 2.00 -0.30 0.00 -0.52 0.00 0.00 55.73 57.32 3juc s ARG 146 Cb -0.01 -3.16 -0.12 0.00 0.52 0.00 0.00 34.95 32.18 3juc s ARG 146 CO -0.00 -0.05 1.62 0.98 0.02 0.00 0.00 175.30 177.87 3juc n TYR 147 N 1.52 2.87 -3.48 -0.53 9.36 -1.26 -4.65 117.16 120.99 3juc n TYR 147 Ca 0.01 0.22 -0.16 0.00 3.32 0.00 0.00 57.90 61.29 3juc n TYR 147 Cb 0.43 -2.61 -0.12 0.00 -0.63 0.00 0.00 39.34 36.41 3juc n TYR 147 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3juc s ASN 148 N 0.60 1.08 0.00 2.98 3.84 -0.54 -5.00 114.94 117.90 3juc s ASN 148 Ca 0.65 -0.07 0.15 0.00 0.21 0.00 0.00 52.86 53.81 3juc s ASN 148 Cb -0.49 0.54 0.88 0.00 -0.55 0.00 0.00 41.25 41.63 3juc s ASN 148 CO 0.46 -0.31 1.57 -0.81 -2.79 0.00 0.00 177.10 175.22 3juc n PRO 149 N 5.33 1.07 -1.24 0.43 -0.04 -1.26 -4.49 135.00 134.80 3juc n PRO 149 Ca -0.05 -0.11 -0.32 0.00 -0.04 0.00 0.00 63.50 62.98 3juc n PRO 149 Cb 0.50 -1.25 0.11 0.00 -0.04 0.00 0.00 33.50 32.81 3juc n PRO 149 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3juc s ARG 150 N -1.98 1.97 0.00 0.54 1.81 -1.26 -5.11 118.95 114.92 3juc s ARG 150 Ca 0.23 1.49 0.11 0.00 -1.72 0.00 0.00 55.73 55.84 3juc s ARG 150 Cb 0.11 -1.84 0.08 0.00 -0.45 0.00 0.00 34.95 32.85 3juc s ARG 150 CO 0.18 -1.91 0.84 0.39 -0.68 0.00 0.00 175.30 174.12