#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jub s ALA 2 N 0.00 2.91 -0.08 3.04 0.00 -1.22 -4.87 121.76 121.54 3jub s ALA 2 Ca 0.00 1.02 0.01 0.00 0.00 0.00 0.00 51.96 52.99 3jub s ALA 2 Cb 0.00 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.67 3jub s ALA 2 CO 0.00 -0.84 -0.11 -0.51 0.00 0.00 0.00 175.76 174.30 3jub s LEU 3 N -3.22 2.91 -0.06 0.00 1.43 -1.26 -1.05 118.68 117.43 3jub s LEU 3 Ca 0.66 -0.16 0.04 0.00 -1.03 0.00 0.00 54.13 53.65 3jub s LEU 3 Cb -0.31 -1.63 -0.00 0.00 0.03 0.00 0.00 46.19 44.28 3jub s LEU 3 CO 0.37 0.30 -0.20 0.54 0.23 0.00 0.00 176.35 177.59 3jub s VAL 4 N -0.45 1.67 -0.29 -1.59 0.11 -0.07 -0.83 120.40 118.94 3jub s VAL 4 Ca 0.06 -0.83 -0.17 0.00 -2.93 0.00 0.00 61.98 58.11 3jub s VAL 4 Cb -0.12 -1.44 -0.02 0.00 -1.53 0.00 0.00 36.38 33.27 3jub s VAL 4 CO 0.02 0.47 0.47 0.12 -3.33 0.00 0.00 175.10 172.86 3jub s PHE 5 N 0.16 3.23 -0.11 1.54 5.36 0.29 -1.05 117.98 127.41 3jub s PHE 5 Ca -0.09 0.41 -0.01 0.00 -0.96 0.00 0.00 56.93 56.28 3jub s PHE 5 Cb -0.14 -2.75 -0.03 0.00 -0.34 0.00 0.00 43.02 39.76 3jub s PHE 5 CO 0.04 -0.36 -0.07 0.14 -1.46 0.00 0.00 175.22 173.52 3jub s VAL 6 N 2.27 3.67 0.00 3.12 -7.23 0.25 -4.59 120.40 117.89 3jub s VAL 6 Ca 0.18 -0.47 0.00 0.00 -1.81 0.00 0.00 61.98 59.89 3jub s VAL 6 Cb -0.16 -2.54 0.00 0.00 0.56 0.00 0.00 36.38 34.24 3jub s VAL 6 CO 0.11 0.55 0.01 0.00 -0.31 0.00 0.00 175.10 175.46 3jub n TYR 7 N 2.83 0.00 0.00 2.82 0.18 -1.26 -1.19 117.16 120.54 3jub n TYR 7 Ca -0.18 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.60 3jub n TYR 7 Cb 0.53 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.49 3jub n TYR 7 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3jub n GLY 8 N 0.68 2.23 0.00 -7.48 0.00 -1.26 -4.20 105.19 95.15 3jub n GLY 8 Ca 0.00 -0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.05 3jub n GLY 8 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3jub n THR 9 N 0.00 0.49 0.77 2.61 -2.24 -1.26 -2.55 114.28 112.10 3jub n THR 9 Ca 0.00 0.12 0.12 0.00 -2.27 0.00 0.00 64.05 62.02 3jub n THR 9 Cb 0.00 -0.82 0.24 0.00 -2.10 0.00 0.00 70.33 67.66 3jub n THR 9 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3jub n LEU 10 N -1.31 0.56 -4.71 3.22 4.77 -1.26 -0.63 117.00 117.64 3jub n LEU 10 Ca 0.08 0.17 -0.32 0.00 -0.03 0.00 0.00 56.01 55.91 3jub n LEU 10 Cb 0.15 -0.24 0.12 0.00 -2.33 0.00 0.00 43.42 41.13 3jub n LEU 10 CO 0.14 0.02 0.74 -0.54 -1.33 0.00 0.00 177.39 176.42 3jub s LYS 11 N -3.09 1.70 0.16 3.23 1.02 -1.06 -4.27 119.74 117.44 3jub s LYS 11 Ca 0.09 1.59 -0.34 0.00 0.02 0.00 0.00 55.97 57.33 3jub s LYS 11 Cb 0.15 -1.80 -0.15 0.00 -0.52 0.00 0.00 37.83 35.51 3jub s LYS 11 CO 0.69 -2.13 1.35 0.54 -0.92 0.00 0.00 175.35 174.89 3jub n ARG 12 N -3.44 1.56 -0.04 1.68 1.74 -1.26 -1.20 116.66 115.69 3jub n ARG 12 Ca 0.12 0.56 0.00 0.00 -0.77 0.00 0.00 57.85 57.76 3jub n ARG 12 Cb 0.51 -2.19 0.00 0.00 -1.02 0.00 0.00 32.46 29.77 3jub n ARG 12 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jub n GLY 13 N 2.47 2.02 3.96 -0.13 0.00 -1.26 -5.05 105.19 107.21 3jub n GLY 13 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 3jub n GLY 13 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3jub s GLN 14 N -0.30 3.30 0.52 1.61 -1.52 -0.34 -5.01 119.66 117.92 3jub s GLN 14 Ca 0.00 -0.64 0.26 0.00 -1.95 0.00 0.00 55.36 53.03 3jub s GLN 14 Cb 0.00 -2.74 1.44 0.00 -0.22 0.00 0.00 33.01 31.49 3jub s GLN 14 CO 0.00 0.12 2.09 -1.35 -0.25 0.00 0.00 175.29 175.90 3jub h PRO 15 N 0.83 0.00 -0.48 2.91 0.11 -1.85 -2.42 132.00 131.10 3jub h PRO 15 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3jub h PRO 15 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3jub h PRO 15 CO 0.58 0.11 0.00 0.09 -0.21 0.00 0.00 178.00 178.58 3jub n ASN 16 N -3.76 3.59 -0.24 -2.05 5.03 0.20 -4.65 115.26 113.38 3jub n ASN 16 Ca -0.02 -2.19 0.13 0.00 0.87 0.00 0.00 54.58 53.37 3jub n ASN 16 Cb 0.22 -0.39 0.42 0.00 -1.02 0.00 0.00 39.78 39.01 3jub n ASN 16 CO 0.00 0.00 0.00 -0.74 -1.83 0.00 0.00 177.26 174.69 3jub h HIS 17 N 2.87 0.71 -0.92 3.10 2.76 -1.10 -2.11 115.15 120.47 3jub h HIS 17 Ca 0.00 0.02 0.26 0.00 -2.20 0.00 0.00 60.37 58.45 3jub h HIS 17 Cb 0.99 -0.23 -0.04 0.00 1.55 0.00 0.00 27.41 29.69 3jub h HIS 17 CO 0.41 0.26 0.65 0.07 -1.30 0.00 0.00 177.93 178.03 3jub h ARG 18 N 0.60 0.04 0.00 5.26 -0.00 -1.83 -1.57 114.38 116.89 3jub h ARG 18 Ca 0.43 -0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 60.38 3jub h ARG 18 Cb 0.77 -0.01 -0.00 0.00 -0.00 0.00 0.00 29.97 30.72 3jub h ARG 18 CO -0.18 0.03 -0.12 -0.39 -0.00 0.00 0.00 179.97 179.31 3jub h VAL 19 N 0.05 0.40 0.00 0.08 -1.51 -1.76 -1.28 116.25 112.22 3jub h VAL 19 Ca 0.44 -0.67 -0.06 0.00 -1.23 0.00 0.00 66.70 65.18 3jub h VAL 19 Cb 1.69 1.48 -0.01 0.00 -2.13 0.00 0.00 31.29 32.32 3jub h VAL 19 CO -0.03 0.12 -0.31 -0.07 -1.23 0.00 0.00 177.57 176.05 3jub h LEU 20 N 0.00 0.00 -1.55 4.19 3.38 -1.48 -3.27 115.31 116.58 3jub h LEU 20 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3jub h LEU 20 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3jub h LEU 20 CO 0.02 0.31 -0.14 0.54 0.09 0.00 0.00 178.44 179.25 3jub n ARG 21 N -3.36 1.80 -2.76 1.13 5.12 -0.54 -4.06 116.66 113.99 3jub n ARG 21 Ca 0.01 -1.51 -0.42 0.00 -1.93 0.00 0.00 57.85 53.99 3jub n ARG 21 Cb 0.52 -1.42 -0.04 0.00 -1.16 0.00 0.00 32.46 30.37 3jub n ARG 21 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3jub s ASP 22 N -1.97 6.30 0.20 0.55 -1.08 -0.85 -4.91 116.67 114.90 3jub s ASP 22 Ca 0.23 -0.41 0.17 0.00 -0.52 0.00 0.00 52.55 52.01 3jub s ASP 22 Cb 0.18 -2.47 0.81 0.00 -1.46 0.00 0.00 42.92 39.98 3jub s ASP 22 CO 0.35 -1.40 1.51 0.61 0.52 0.00 0.00 175.17 176.76 3jub n GLY 23 N 5.19 -0.90 0.31 2.66 0.00 -1.26 -0.84 105.19 110.35 3jub n GLY 23 Ca 0.02 0.10 0.17 0.00 0.00 0.00 0.00 46.02 46.32 3jub n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jub h ALA 24 N 2.12 1.35 -0.01 4.61 0.00 -1.96 -2.66 119.26 122.71 3jub h ALA 24 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3jub h ALA 24 Cb 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3jub h ALA 24 CO 0.00 0.01 -0.26 0.72 0.00 0.00 0.00 179.25 179.72 3jub n HIS 25 N -3.59 0.00 0.00 0.00 8.25 -0.02 -5.06 115.22 114.80 3jub n HIS 25 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 3jub n HIS 25 Cb 0.09 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.10 3jub n HIS 25 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3jub n GLY 26 N 1.34 -0.86 3.30 -1.41 0.00 -1.00 -2.19 105.19 104.35 3jub n GLY 26 Ca 0.12 -1.99 -0.27 0.00 0.00 0.00 0.00 46.02 43.89 3jub n GLY 26 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jub s SER 27 N -4.00 2.74 -0.06 1.61 1.04 -1.26 -4.38 113.70 109.39 3jub s SER 27 Ca 0.00 -0.60 -0.02 0.00 0.48 0.00 0.00 55.95 55.80 3jub s SER 27 Cb 0.00 -0.21 0.04 0.00 0.10 0.00 0.00 66.02 65.95 3jub s SER 27 CO 0.00 0.16 0.12 0.00 0.98 0.00 0.00 173.24 174.50 3jub s ALA 28 N -0.92 -0.12 -0.11 5.32 0.00 -1.26 -2.32 121.76 122.36 3jub s ALA 28 Ca 0.09 0.52 0.03 0.00 0.00 0.00 0.00 51.96 52.60 3jub s ALA 28 Cb -0.09 -0.56 0.01 0.00 0.00 0.00 0.00 23.12 22.48 3jub s ALA 28 CO 0.03 -0.32 -0.19 0.00 0.00 0.00 0.00 175.76 175.28 3jub s ALA 29 N 1.63 1.95 0.19 0.00 0.00 -0.07 -4.92 121.76 120.54 3jub s ALA 29 Ca -0.04 -0.88 -0.32 0.00 0.00 0.00 0.00 51.96 50.73 3jub s ALA 29 Cb -0.12 -0.85 -0.12 0.00 0.00 0.00 0.00 23.12 22.03 3jub s ALA 29 CO -0.05 0.05 1.76 0.12 0.00 0.00 0.00 175.76 177.64 3jub s PHE 30 N 0.73 2.69 -0.14 0.00 5.36 -1.26 -0.72 117.98 124.63 3jub s PHE 30 Ca -0.11 0.23 -0.05 0.00 -0.96 0.00 0.00 56.93 56.04 3jub s PHE 30 Cb -0.16 -4.16 -0.07 0.00 -0.34 0.00 0.00 43.02 38.29 3jub s PHE 30 CO 0.02 -4.52 -0.17 -2.13 -1.46 0.00 0.00 175.22 166.96 3jub n ARG 31 N 4.45 0.32 -3.53 10.12 0.63 0.41 -4.85 116.66 124.21 3jub n ARG 31 Ca 0.16 0.12 -0.14 0.00 -0.92 0.00 0.00 57.85 57.08 3jub n ARG 31 Cb 0.36 -1.10 -0.05 0.00 0.45 0.00 0.00 32.46 32.12 3jub n ARG 31 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3jub s ALA 32 N -2.27 -1.81 0.06 5.13 0.00 -1.03 -5.00 121.76 116.84 3jub s ALA 32 Ca -0.20 1.28 -0.30 0.00 0.00 0.00 0.00 51.96 52.74 3jub s ALA 32 Cb 0.07 -0.08 -0.05 0.00 0.00 0.00 0.00 23.12 23.06 3jub s ALA 32 CO 0.27 -0.43 0.96 0.50 0.00 0.00 0.00 175.76 177.06 3jub s ARG 33 N -1.67 4.63 0.21 0.00 3.00 -1.26 -0.62 118.95 123.24 3jub s ARG 33 Ca -0.05 1.41 -0.01 0.00 -1.00 0.00 0.00 55.73 56.09 3jub s ARG 33 Cb -0.00 -3.41 -0.04 0.00 0.00 0.00 0.00 34.95 31.50 3jub s ARG 33 CO 0.03 0.11 0.12 0.20 0.00 0.00 0.00 175.30 175.76 3jub s GLY 34 N 0.40 1.47 -0.08 8.12 0.00 -0.48 -1.35 107.32 115.40 3jub s GLY 34 Ca 0.48 -1.72 -0.04 0.00 0.00 0.00 0.00 44.72 43.44 3jub s GLY 34 CO 0.29 -1.43 0.18 -1.60 0.00 0.00 0.00 173.10 170.54 3jub s ARG 35 N -4.14 0.14 0.46 2.90 3.52 -0.56 -1.22 118.95 120.05 3jub s ARG 35 Ca 0.38 0.39 -0.24 0.00 -0.13 0.00 0.00 55.73 56.14 3jub s ARG 35 Cb 0.07 -0.12 -0.09 0.00 -1.56 0.00 0.00 34.95 33.26 3jub s ARG 35 CO 0.12 -0.14 1.23 0.25 -0.81 0.00 0.00 175.30 175.95 3jub n THR 36 N 4.02 2.84 0.09 4.11 -2.24 -0.06 -0.36 114.28 122.68 3jub n THR 36 Ca -0.24 -0.50 -0.06 0.00 -2.27 0.00 0.00 64.05 60.98 3jub n THR 36 Cb 0.53 -1.51 0.01 0.00 -2.10 0.00 0.00 70.33 67.26 3jub n THR 36 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3jub h LEU 37 N 1.79 0.08 -9.38 3.22 3.38 -1.72 -3.42 115.31 109.26 3jub h LEU 37 Ca -0.48 -0.07 -0.66 0.00 0.09 0.00 0.00 57.88 56.76 3jub h LEU 37 Cb 1.31 -0.02 -0.14 0.00 0.09 0.00 0.00 40.66 41.90 3jub h LEU 37 CO 0.58 0.88 -0.66 -1.61 0.09 0.00 0.00 178.44 177.73 3jub s GLU 38 N -3.15 2.66 0.43 1.13 0.41 -1.26 -5.05 118.70 113.87 3jub s GLU 38 Ca -0.01 -0.71 -0.22 0.00 -0.41 0.00 0.00 54.97 53.62 3jub s GLU 38 Cb 0.11 -2.60 -0.10 0.00 -1.78 0.00 0.00 34.13 29.76 3jub s GLU 38 CO 0.80 0.59 0.98 -1.25 -0.49 0.00 0.00 175.26 175.89 3jub s PRO 39 N -1.82 4.17 0.04 0.39 0.04 -1.26 -4.66 135.00 131.89 3jub s PRO 39 Ca 0.22 1.22 0.01 0.00 0.04 0.00 0.00 61.00 62.48 3jub s PRO 39 Cb -0.12 -2.25 -0.03 0.00 0.04 0.00 0.00 34.50 32.15 3jub s PRO 39 CO 0.13 -0.09 -0.05 0.71 0.04 0.00 0.00 177.00 177.74 3jub s TYR 40 N -2.05 0.47 -0.20 0.56 2.02 -0.52 -0.61 117.35 117.01 3jub s TYR 40 Ca 0.62 -0.66 -0.29 0.00 -0.37 0.00 0.00 57.07 56.37 3jub s TYR 40 Cb -0.12 -0.31 -0.01 0.00 -0.40 0.00 0.00 41.96 41.12 3jub s TYR 40 CO 0.16 -0.19 1.24 -2.14 -1.57 0.00 0.00 175.55 173.05 3jub s PRO 41 N -2.15 4.17 -0.27 -1.71 0.02 -1.14 -2.01 135.00 131.90 3jub s PRO 41 Ca -0.08 1.53 -0.04 0.00 0.02 0.00 0.00 61.00 62.43 3jub s PRO 41 Cb -0.05 -3.77 0.02 0.00 0.02 0.00 0.00 34.50 30.71 3jub s PRO 41 CO -0.03 -0.79 0.01 -1.17 -0.33 0.00 0.00 177.00 174.70 3jub s LEU 42 N 3.66 3.54 0.10 -5.54 2.96 -1.26 -1.12 118.68 121.02 3jub s LEU 42 Ca 0.54 -0.79 0.08 0.00 -0.22 0.00 0.00 54.13 53.74 3jub s LEU 42 Cb -0.20 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.68 3jub s LEU 42 CO 0.15 -0.16 -0.20 0.68 -1.32 0.00 0.00 176.35 175.51 3jub s VAL 43 N 1.42 1.61 -0.31 1.68 -7.23 -0.73 -0.93 120.40 115.91 3jub s VAL 43 Ca 0.01 -1.52 -0.14 0.00 -1.81 0.00 0.00 61.98 58.52 3jub s VAL 43 Cb -0.17 -1.49 -0.03 0.00 0.56 0.00 0.00 36.38 35.25 3jub s VAL 43 CO -0.01 -0.10 0.31 -0.63 -0.31 0.00 0.00 175.10 174.36 3jub s ILE 44 N -1.23 5.21 0.04 -0.62 1.01 -1.26 -0.39 121.20 123.96 3jub s ILE 44 Ca 0.05 0.17 -0.13 0.00 0.00 0.00 0.00 60.65 60.75 3jub s ILE 44 Cb -0.10 -3.72 0.02 0.00 0.01 0.00 0.00 42.46 38.67 3jub s ILE 44 CO 0.04 0.05 0.28 0.00 0.00 0.00 0.00 174.94 175.31 3jub s ALA 45 N 1.94 -0.63 0.00 9.38 0.00 -0.80 -4.93 121.76 126.73 3jub s ALA 45 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.02 3jub s ALA 45 Cb -0.16 0.32 0.00 0.00 0.00 0.00 0.00 23.12 23.27 3jub s ALA 45 CO 0.11 -0.41 0.00 0.41 0.00 0.00 0.00 175.76 175.87 3jub n GLY 46 N 0.59 -0.84 0.28 0.00 0.00 -1.26 -3.00 105.19 100.95 3jub n GLY 46 Ca -0.19 -1.67 0.17 0.00 0.00 0.00 0.00 46.02 44.33 3jub n GLY 46 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3jub h GLU 47 N 0.00 0.00 -0.02 1.61 4.81 -1.99 -2.02 114.58 116.97 3jub h GLU 47 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3jub h GLU 47 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3jub h GLU 47 CO 0.00 0.06 -0.13 0.72 -0.73 0.00 0.00 179.01 178.93 3jub n HIS 48 N -3.28 0.00 -3.70 0.92 8.25 -1.26 -4.86 115.22 111.29 3jub n HIS 48 Ca -0.01 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.22 3jub n HIS 48 Cb 0.24 -0.04 0.04 0.00 1.12 0.00 0.00 29.99 31.36 3jub n HIS 48 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3jub n ASN 49 N 0.07 -2.49 -4.77 0.41 3.02 -0.76 -0.91 115.26 109.83 3jub n ASN 49 Ca 0.15 -0.76 -0.38 0.00 -0.03 0.00 0.00 54.58 53.56 3jub n ASN 49 Cb 0.40 -4.27 -0.06 0.00 -0.61 0.00 0.00 39.78 35.25 3jub n ASN 49 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3jub s ILE 50 N -3.52 4.02 -0.08 2.41 1.01 -1.16 -4.46 121.20 119.42 3jub s ILE 50 Ca 0.19 1.84 -0.27 0.00 0.00 0.00 0.00 60.65 62.40 3jub s ILE 50 Cb -0.09 -4.09 -0.02 0.00 0.01 0.00 0.00 42.46 38.26 3jub s ILE 50 CO 0.80 0.29 0.89 -2.16 0.00 0.00 0.00 174.94 174.76 3jub s PRO 51 N -1.68 4.44 -0.18 2.79 0.04 -1.26 -1.90 135.00 137.25 3jub s PRO 51 Ca 0.47 1.21 0.01 0.00 0.04 0.00 0.00 61.00 62.72 3jub s PRO 51 Cb -0.23 -3.50 0.02 0.00 0.04 0.00 0.00 34.50 30.82 3jub s PRO 51 CO 0.29 -0.15 -0.20 -1.58 0.04 0.00 0.00 177.00 175.41 3jub s TRP 52 N 1.45 2.77 -0.68 0.56 0.52 0.47 -4.96 118.94 119.08 3jub s TRP 52 Ca 0.45 -1.62 -0.25 0.00 0.02 0.00 0.00 56.10 54.70 3jub s TRP 52 Cb -0.19 -1.91 0.05 0.00 -1.15 0.00 0.00 33.47 30.27 3jub s TRP 52 CO 0.20 -0.79 1.13 -1.17 0.02 0.00 0.00 176.95 176.33 3jub s LEU 53 N 1.26 3.72 0.20 2.99 2.96 -1.26 -1.77 118.68 126.78 3jub s LEU 53 Ca 0.04 -0.61 -0.30 0.00 -0.22 0.00 0.00 54.13 53.04 3jub s LEU 53 Cb -0.13 -2.57 -0.08 0.00 0.50 0.00 0.00 46.19 43.91 3jub s LEU 53 CO -0.12 -1.62 1.24 -0.76 -1.32 0.00 0.00 176.35 173.78 3jub s LEU 54 N 4.90 4.44 -1.39 -0.68 1.43 -0.28 -0.93 118.68 126.18 3jub s LEU 54 Ca 0.30 2.33 -0.14 0.00 -1.03 0.00 0.00 54.13 55.59 3jub s LEU 54 Cb -0.12 -3.61 0.07 0.00 0.03 0.00 0.00 46.19 42.57 3jub s LEU 54 CO 0.14 -0.43 2.04 1.57 0.23 0.00 0.00 176.35 179.89 3jub n HIS 55 N 2.41 3.72 -2.94 0.29 -0.00 0.01 -4.25 115.22 114.46 3jub n HIS 55 Ca 0.05 -2.94 -0.20 0.00 -0.00 0.00 0.00 57.72 54.63 3jub n HIS 55 Cb 0.44 -2.45 -0.02 0.00 -0.00 0.00 0.00 29.99 27.96 3jub n HIS 55 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 3jub n LEU 56 N 6.12 2.34 -4.71 0.27 4.77 -1.26 -4.90 117.00 119.63 3jub n LEU 56 Ca 0.49 -4.95 -0.42 0.00 -0.03 0.00 0.00 56.01 51.09 3jub n LEU 56 Cb 0.40 0.20 -0.01 0.00 -2.33 0.00 0.00 43.42 41.68 3jub n LEU 56 CO 0.85 2.16 0.95 -0.81 -1.33 0.00 0.00 177.39 179.21 3jub n PRO 57 N -0.01 2.22 0.00 3.23 -0.04 -1.26 -2.41 135.00 136.73 3jub n PRO 57 Ca 0.25 0.78 0.00 0.00 -0.04 0.00 0.00 63.50 64.49 3jub n PRO 57 Cb 0.62 -2.39 0.00 0.00 -0.04 0.00 0.00 33.50 31.69 3jub n PRO 57 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3jub n GLY 58 N 0.83 0.38 3.26 0.55 0.00 0.21 -4.99 105.19 105.43 3jub n GLY 58 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 3jub n GLY 58 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jub s SER 59 N -2.40 0.84 0.53 1.61 1.04 -1.01 -4.92 113.70 109.39 3jub s SER 59 Ca 0.00 -1.33 0.00 0.00 0.48 0.00 0.00 55.95 55.10 3jub s SER 59 Cb 0.00 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.34 3jub s SER 59 CO 0.00 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.10 3jub n GLY 60 N -0.34 0.56 3.15 7.32 0.00 -1.26 -1.49 105.19 113.13 3jub n GLY 60 Ca -0.01 -1.00 -0.08 0.00 0.00 0.00 0.00 46.02 44.93 3jub n GLY 60 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3jub s ARG 61 N 0.00 0.71 0.23 1.61 0.52 -0.85 -4.81 118.95 116.36 3jub s ARG 61 Ca 0.00 -1.05 -0.30 0.00 -0.52 0.00 0.00 55.73 53.86 3jub s ARG 61 Cb 0.00 0.27 -0.10 0.00 0.52 0.00 0.00 34.95 35.65 3jub s ARG 61 CO 0.00 -0.19 1.39 -0.51 0.02 0.00 0.00 175.30 176.02 3jub s LEU 62 N -2.81 4.40 -0.18 2.53 1.43 -1.26 -1.43 118.68 121.35 3jub s LEU 62 Ca 0.05 2.58 -0.05 0.00 -1.03 0.00 0.00 54.13 55.67 3jub s LEU 62 Cb 0.06 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.63 3jub s LEU 62 CO -0.10 -0.64 0.01 -0.69 0.23 0.00 0.00 176.35 175.16 3jub s VAL 63 N 0.01 4.19 0.33 -1.59 1.01 -1.26 -4.58 120.40 118.51 3jub s VAL 63 Ca 0.58 -0.24 -0.27 0.00 0.00 0.00 0.00 61.98 62.05 3jub s VAL 63 Cb -0.40 -2.88 -0.09 0.00 0.00 0.00 0.00 36.38 33.01 3jub s VAL 63 CO 0.42 0.45 1.06 -1.61 0.00 0.00 0.00 175.10 175.42 3jub s GLU 64 N 0.65 4.45 0.00 2.72 0.41 0.44 -0.88 118.70 126.48 3jub s GLU 64 Ca 0.00 1.64 0.00 0.00 -0.41 0.00 0.00 54.97 56.20 3jub s GLU 64 Cb -0.14 -2.90 0.00 0.00 -1.78 0.00 0.00 34.13 29.31 3jub s GLU 64 CO 0.02 0.08 0.00 0.41 -0.49 0.00 0.00 175.26 175.28 3jub n GLY 65 N 0.83 1.44 3.06 -1.39 0.00 -0.36 -4.67 105.19 104.10 3jub n GLY 65 Ca 0.02 -0.76 -0.21 0.00 0.00 0.00 0.00 46.02 45.06 3jub n GLY 65 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3jub s GLU 66 N -0.29 1.08 -0.23 1.61 2.02 -0.33 -1.39 118.70 121.17 3jub s GLU 66 Ca 0.00 -0.41 -0.11 0.00 0.02 0.00 0.00 54.97 54.47 3jub s GLU 66 Cb 0.00 -1.01 -0.05 0.00 0.10 0.00 0.00 34.13 33.17 3jub s GLU 66 CO 0.00 0.21 0.16 0.08 0.02 0.00 0.00 175.26 175.73 3jub s VAL 67 N -0.07 5.36 -0.02 2.63 1.01 0.21 -0.59 120.40 128.93 3jub s VAL 67 Ca 0.01 0.20 0.07 0.00 0.00 0.00 0.00 61.98 62.25 3jub s VAL 67 Cb -0.07 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 3jub s VAL 67 CO 0.00 0.36 -0.21 -0.31 0.00 0.00 0.00 175.10 174.94 3jub s TYR 68 N 0.95 2.48 -0.24 5.22 2.02 -0.22 -0.45 117.35 127.11 3jub s TYR 68 Ca 0.08 -0.33 -0.21 0.00 -0.37 0.00 0.00 57.07 56.25 3jub s TYR 68 Cb -0.13 -1.53 -0.02 0.00 -0.40 0.00 0.00 41.96 39.88 3jub s TYR 68 CO 0.04 0.07 0.65 0.00 -1.57 0.00 0.00 175.55 174.74 3jub s ALA 69 N -0.69 3.60 0.07 3.71 0.00 0.10 -0.89 121.76 127.66 3jub s ALA 69 Ca 0.11 -0.36 0.09 0.00 0.00 0.00 0.00 51.96 51.80 3jub s ALA 69 Cb -0.10 -3.05 -0.03 0.00 0.00 0.00 0.00 23.12 19.94 3jub s ALA 69 CO 0.00 -0.76 -0.24 0.14 0.00 0.00 0.00 175.76 174.90 3jub s VAL 70 N 2.40 1.93 0.88 0.00 -7.23 -0.21 -0.89 120.40 117.27 3jub s VAL 70 Ca 0.28 -1.44 -0.11 0.00 -1.81 0.00 0.00 61.98 58.90 3jub s VAL 70 Cb -0.16 -1.69 0.17 0.00 0.56 0.00 0.00 36.38 35.27 3jub s VAL 70 CO 0.09 0.17 1.22 1.51 -0.31 0.00 0.00 175.10 177.78 3jub s ASP 71 N -1.52 3.54 0.33 4.85 -4.77 -0.98 -3.38 116.67 114.74 3jub s ASP 71 Ca 0.10 0.09 0.07 0.00 -3.30 0.00 0.00 52.55 49.50 3jub s ASP 71 Cb -0.10 -0.25 0.58 0.00 -1.09 0.00 0.00 42.92 42.07 3jub s ASP 71 CO 0.03 -2.44 1.80 -0.33 0.70 0.00 0.00 175.17 174.93 3jub h GLU 72 N -1.28 0.31 -0.10 2.11 4.39 -1.97 -1.59 114.58 116.44 3jub h GLU 72 Ca -0.42 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.18 3jub h GLU 72 Cb 1.25 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.87 3jub h GLU 72 CO 0.39 0.54 0.07 0.00 -1.16 0.00 0.00 179.01 178.85 3jub h ARG 73 N 0.28 0.14 -0.29 2.33 3.08 -1.94 -1.66 114.38 116.32 3jub h ARG 73 Ca 0.05 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.96 3jub h ARG 73 Cb 0.58 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 3jub h ARG 73 CO 0.04 0.10 -0.32 1.98 -1.07 0.00 0.00 179.97 180.69 3jub h MET 74 N 0.14 0.63 -0.52 0.04 4.05 -1.04 -1.32 114.93 116.90 3jub h MET 74 Ca 0.04 -0.28 -0.03 0.00 -0.28 0.00 0.00 59.70 59.15 3jub h MET 74 Cb -0.01 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.75 3jub h MET 74 CO -0.01 0.87 0.22 1.25 0.23 0.00 0.00 176.91 179.47 3jub h LEU 75 N 0.53 0.72 -0.78 3.39 5.85 -1.16 0.11 115.31 123.98 3jub h LEU 75 Ca 0.06 -0.16 -0.08 0.00 0.84 0.00 0.00 57.88 58.54 3jub h LEU 75 Cb 0.81 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 3jub h LEU 75 CO 0.07 0.68 0.08 0.03 -0.34 0.00 0.00 178.44 178.96 3jub h ARG 76 N 0.71 1.00 0.17 1.25 3.08 -1.12 -0.93 114.38 118.54 3jub h ARG 76 Ca 0.18 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3jub h ARG 76 Cb 0.18 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 3jub h ARG 76 CO -0.02 0.94 -0.15 0.35 -1.07 0.00 0.00 179.97 180.02 3jub h PHE 77 N 0.94 -0.40 -0.30 3.04 3.57 -0.87 -3.01 116.94 119.90 3jub h PHE 77 Ca 0.18 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.64 3jub h PHE 77 Cb 0.44 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 3jub h PHE 77 CO 0.03 -0.23 -0.03 -0.07 -2.23 0.00 0.00 178.31 175.78 3jub h LEU 78 N -0.34 0.44 -0.76 0.59 3.38 -0.53 0.20 115.31 118.29 3jub h LEU 78 Ca -0.00 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 57.96 3jub h LEU 78 Cb 0.32 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 3jub h LEU 78 CO -0.03 0.53 0.44 0.44 0.09 0.00 0.00 178.44 179.90 3jub h ASP 79 N 0.45 0.65 0.47 -0.43 3.32 -1.10 -1.21 116.42 118.57 3jub h ASP 79 Ca 0.10 0.03 -0.23 0.00 0.02 0.00 0.00 57.03 56.95 3jub h ASP 79 Cb 0.34 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 3jub h ASP 79 CO 0.01 0.40 -0.99 0.44 -1.72 0.00 0.00 179.24 177.38 3jub h ASP 80 N 0.78 0.43 -0.90 6.45 3.32 -1.24 -1.25 116.42 124.00 3jub h ASP 80 Ca 0.35 -0.37 0.12 0.00 0.02 0.00 0.00 57.03 57.14 3jub h ASP 80 Cb 0.24 -0.13 -0.07 0.00 0.22 0.00 0.00 39.33 39.59 3jub h ASP 80 CO -0.20 1.20 0.58 0.15 -1.72 0.00 0.00 179.24 179.24 3jub h PHE 81 N 0.16 0.93 -0.39 4.55 3.57 -0.20 -1.63 116.94 123.93 3jub h PHE 81 Ca -0.08 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.44 3jub h PHE 81 Cb 1.65 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 40.09 3jub h PHE 81 CO 0.05 0.39 0.00 0.39 -2.23 0.00 0.00 178.31 176.92 3jub n GLU 82 N -4.55 2.06 -3.78 1.11 -0.58 -0.50 -4.96 120.64 109.43 3jub n GLU 82 Ca 0.16 -1.63 -0.25 0.00 -0.42 0.00 0.00 57.16 55.03 3jub n GLU 82 Cb 0.37 -1.39 0.03 0.00 -0.57 0.00 0.00 31.44 29.88 3jub n GLU 82 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 3jub n SER 83 N 0.82 -2.83 -4.81 1.62 7.64 -0.61 -3.28 113.62 112.17 3jub n SER 83 Ca 0.16 -0.79 -0.35 0.00 1.01 0.00 0.00 58.87 58.91 3jub n SER 83 Cb 0.41 -4.04 -0.07 0.00 -1.01 0.00 0.00 64.21 59.50 3jub n SER 83 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3jub n PRO 85 N -0.11 1.72 -0.04 0.00 -0.04 -1.26 -4.83 135.00 130.44 3jub n PRO 85 Ca 0.05 -1.06 -0.07 0.00 -0.04 0.00 0.00 63.50 62.37 3jub n PRO 85 Cb 0.52 -1.44 0.11 0.00 -0.04 0.00 0.00 33.50 32.65 3jub n PRO 85 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3jub h ALA 86 N 4.23 0.89 0.00 0.55 0.00 -1.79 -3.40 119.26 119.74 3jub h ALA 86 Ca 0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 3jub h ALA 86 Cb 0.51 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3jub h ALA 86 CO 0.00 0.62 -0.76 1.28 0.00 0.00 0.00 179.25 180.40 3jub n LEU 87 N -4.08 1.64 -4.86 0.00 4.77 -0.50 -5.02 117.00 108.95 3jub n LEU 87 Ca -0.01 0.26 -0.21 0.00 -0.03 0.00 0.00 56.01 56.03 3jub n LEU 87 Cb 0.46 -0.60 -0.03 0.00 -2.33 0.00 0.00 43.42 40.92 3jub n LEU 87 CO 0.44 -0.38 -0.07 -0.31 -1.33 0.00 0.00 177.39 175.75 3jub s TYR 88 N -2.58 2.90 0.04 -1.77 2.02 -1.21 -4.73 117.35 112.02 3jub s TYR 88 Ca -0.20 -0.31 0.06 0.00 -0.37 0.00 0.00 57.07 56.25 3jub s TYR 88 Cb 0.03 -1.83 -0.02 0.00 -0.40 0.00 0.00 41.96 39.74 3jub s TYR 88 CO 0.29 0.16 -0.16 -0.65 -1.57 0.00 0.00 175.55 173.62 3jub s GLN 89 N -4.01 1.05 -0.37 -0.62 1.11 0.35 -4.04 119.66 113.13 3jub s GLN 89 Ca 0.41 -0.83 -0.25 0.00 0.01 0.00 0.00 55.36 54.70 3jub s GLN 89 Cb -0.06 -1.10 0.01 0.00 -1.01 0.00 0.00 33.01 30.86 3jub s GLN 89 CO 0.27 0.27 0.90 0.50 0.01 0.00 0.00 175.29 177.24 3jub s ARG 90 N -1.22 3.81 0.52 2.91 3.52 -1.26 -1.40 118.95 125.83 3jub s ARG 90 Ca 0.03 0.51 0.00 0.00 -0.13 0.00 0.00 55.73 56.14 3jub s ARG 90 Cb -0.08 -3.81 0.00 0.00 -1.56 0.00 0.00 34.95 29.50 3jub s ARG 90 CO 0.02 -0.95 0.02 0.25 -0.81 0.00 0.00 175.30 173.83 3jub n THR 91 N 5.97 0.00 -4.41 4.11 -2.24 -0.04 -4.94 114.28 112.73 3jub n THR 91 Ca 0.06 -2.43 -0.28 0.00 -2.27 0.00 0.00 64.05 59.14 3jub n THR 91 Cb 0.48 0.46 -0.12 0.00 -2.10 0.00 0.00 70.33 69.05 3jub n THR 91 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3jub s VAL 92 N -2.86 2.33 0.20 2.28 -7.23 -1.26 -1.12 120.40 112.74 3jub s VAL 92 Ca 0.02 -1.94 -0.17 0.00 -1.81 0.00 0.00 61.98 58.08 3jub s VAL 92 Cb -0.00 -2.09 0.02 0.00 0.56 0.00 0.00 36.38 34.88 3jub s VAL 92 CO 0.01 -0.05 0.53 -1.48 -0.31 0.00 0.00 175.10 173.81 3jub s LEU 93 N -2.46 0.08 -0.14 1.32 2.34 -0.62 -4.94 118.68 114.25 3jub s LEU 93 Ca 0.18 -0.53 -0.06 0.00 0.06 0.00 0.00 54.13 53.79 3jub s LEU 93 Cb -0.09 2.15 -0.04 0.00 -0.56 0.00 0.00 46.19 47.65 3jub s LEU 93 CO 0.09 -1.08 0.09 -0.13 -1.06 0.00 0.00 176.35 174.25 3jub s ARG 94 N -3.89 3.59 -0.04 1.48 0.52 -1.26 -0.93 118.95 118.42 3jub s ARG 94 Ca 0.10 -0.26 0.06 0.00 -0.52 0.00 0.00 55.73 55.11 3jub s ARG 94 Cb -0.01 -3.14 -0.02 0.00 0.52 0.00 0.00 34.95 32.30 3jub s ARG 94 CO -0.01 0.56 -0.23 0.08 0.02 0.00 0.00 175.30 175.71 3jub s VAL 95 N -0.42 2.26 -0.09 3.52 1.01 -0.04 -1.93 120.40 124.70 3jub s VAL 95 Ca 0.10 -1.01 -0.26 0.00 0.00 0.00 0.00 61.98 60.81 3jub s VAL 95 Cb -0.12 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 3jub s VAL 95 CO 0.02 0.58 0.85 -1.58 0.00 0.00 0.00 175.10 174.96 3jub s GLN 96 N -0.41 4.42 0.02 2.72 0.74 0.51 -0.77 119.66 126.89 3jub s GLN 96 Ca 0.04 1.11 -0.30 0.00 0.05 0.00 0.00 55.36 56.26 3jub s GLN 96 Cb -0.12 -3.50 -0.04 0.00 1.10 0.00 0.00 33.01 30.45 3jub s GLN 96 CO 0.01 -0.14 0.98 -0.51 -0.55 0.00 0.00 175.29 175.09 3jub s LEU 97 N 1.44 4.40 -0.32 3.68 1.43 0.07 -1.49 118.68 127.88 3jub s LEU 97 Ca 0.42 1.70 -0.08 0.00 -1.03 0.00 0.00 54.13 55.15 3jub s LEU 97 Cb -0.18 -3.57 0.02 0.00 0.03 0.00 0.00 46.19 42.48 3jub s LEU 97 CO 0.19 -0.23 0.12 -0.76 0.23 0.00 0.00 176.35 175.90 3jub s LEU 98 N 0.81 4.17 0.00 1.79 1.43 -0.45 -4.93 118.68 121.49 3jub s LEU 98 Ca 0.51 -0.85 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 3jub s LEU 98 Cb -0.22 -1.92 0.00 0.00 0.03 0.00 0.00 46.19 44.08 3jub s LEU 98 CO 0.28 -0.26 0.00 -1.84 0.23 0.00 0.00 176.35 174.76 3jub n GLU 99 N 4.89 0.00 0.00 1.70 -0.00 -1.26 -4.51 120.64 121.46 3jub n GLU 99 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.03 3jub n GLU 99 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.91 3jub n GLU 99 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 3jub n GLU 106 N 0.00 0.00 -3.59 3.44 4.07 -1.26 -5.24 120.64 118.05 3jub n GLU 106 Ca 0.00 0.00 -0.28 0.00 -0.06 0.00 0.00 57.16 56.82 3jub n GLU 106 Cb 0.00 -0.42 -0.15 0.00 -0.06 0.00 0.00 31.44 30.80 3jub n GLU 106 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 3jub s GLU 107 N -1.40 0.28 0.59 5.31 2.02 -1.26 -2.52 118.70 121.72 3jub s GLU 107 Ca 0.00 -0.52 -0.18 0.00 0.02 0.00 0.00 54.97 54.29 3jub s GLU 107 Cb 0.00 -1.47 -0.03 0.00 0.10 0.00 0.00 34.13 32.73 3jub s GLU 107 CO 0.00 -0.93 1.16 -1.25 0.02 0.00 0.00 175.26 174.26 3jub s PRO 108 N 2.02 3.04 0.76 0.39 0.04 -1.26 -5.15 135.00 134.84 3jub s PRO 108 Ca 0.07 1.67 -0.11 0.00 0.04 0.00 0.00 61.00 62.67 3jub s PRO 108 Cb -0.16 -1.96 0.05 0.00 0.04 0.00 0.00 34.50 32.47 3jub s PRO 108 CO -0.28 -1.11 1.08 -1.25 0.04 0.00 0.00 177.00 175.48 3jub s PRO 109 N -3.47 2.42 0.32 0.56 0.04 -1.05 -5.00 135.00 128.82 3jub s PRO 109 Ca 0.74 0.83 -0.29 0.00 0.04 0.00 0.00 61.00 62.32 3jub s PRO 109 Cb -0.26 -1.94 -0.10 0.00 0.04 0.00 0.00 34.50 32.24 3jub s PRO 109 CO 0.33 -1.43 1.19 0.00 0.04 0.00 0.00 177.00 177.12 3jub s ALA 110 N -3.07 3.41 0.54 8.56 0.00 -1.26 -4.96 121.76 124.98 3jub s ALA 110 Ca 0.60 1.05 -0.20 0.00 0.00 0.00 0.00 51.96 53.41 3jub s ALA 110 Cb -0.15 -3.39 -0.08 0.00 0.00 0.00 0.00 23.12 19.50 3jub s ALA 110 CO 0.55 -0.40 0.81 -2.30 0.00 0.00 0.00 175.76 174.42 3jub n PRO 111 N 0.88 0.85 0.00 0.00 -0.02 -1.26 -4.93 135.00 130.51 3jub n PRO 111 Ca 0.00 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 3jub n PRO 111 Cb 0.44 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 3jub n PRO 111 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3jub n THR 112 N -1.40 0.53 -4.22 3.45 -2.24 -1.26 -4.97 114.28 104.17 3jub n THR 112 Ca 0.12 -0.65 -0.19 0.00 -2.27 0.00 0.00 64.05 61.06 3jub n THR 112 Cb 0.45 0.81 -0.12 0.00 -2.10 0.00 0.00 70.33 69.36 3jub n THR 112 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3jub s ALA 113 N -0.53 1.18 -0.12 6.98 0.00 -1.26 -0.75 121.76 127.26 3jub s ALA 113 Ca 0.00 -0.95 -0.09 0.00 0.00 0.00 0.00 51.96 50.92 3jub s ALA 113 Cb 0.00 -0.12 0.04 0.00 0.00 0.00 0.00 23.12 23.03 3jub s ALA 113 CO 0.00 0.18 0.31 0.54 0.00 0.00 0.00 175.76 176.79 3jub s VAL 114 N -1.15 -0.01 0.21 0.00 0.11 0.05 -4.94 120.40 114.67 3jub s VAL 114 Ca -0.01 0.04 -0.30 0.00 -2.93 0.00 0.00 61.98 58.79 3jub s VAL 114 Cb -0.09 -0.45 -0.08 0.00 -1.53 0.00 0.00 36.38 34.23 3jub s VAL 114 CO 0.02 0.02 1.20 -1.58 -3.33 0.00 0.00 175.10 171.43 3jub s GLN 115 N 0.56 4.49 0.11 1.54 0.74 -1.26 -0.86 119.66 124.98 3jub s GLN 115 Ca -0.03 1.90 0.04 0.00 0.05 0.00 0.00 55.36 57.32 3jub s GLN 115 Cb -0.05 -3.22 -0.04 0.00 1.10 0.00 0.00 33.01 30.81 3jub s GLN 115 CO -0.03 -0.07 -0.10 0.00 -0.55 0.00 0.00 175.29 174.54 3jub s PHE 117 N -2.76 2.95 0.06 0.00 0.08 -0.01 -1.60 117.98 116.70 3jub s PHE 117 Ca 0.09 1.54 -0.12 0.00 0.12 0.00 0.00 56.93 58.56 3jub s PHE 117 Cb -0.01 -3.06 0.01 0.00 -0.57 0.00 0.00 43.02 39.39 3jub s PHE 117 CO -0.00 -1.06 0.26 0.54 -0.10 0.00 0.00 175.22 174.86 3jub s VAL 118 N -2.20 0.10 -0.43 -0.44 0.11 -0.27 -0.54 120.40 116.72 3jub s VAL 118 Ca 0.66 -0.82 -0.15 0.00 -2.93 0.00 0.00 61.98 58.74 3jub s VAL 118 Cb -0.17 -1.03 0.04 0.00 -1.53 0.00 0.00 36.38 33.69 3jub s VAL 118 CO 0.29 -0.45 0.33 -0.31 -3.33 0.00 0.00 175.10 171.63 3jub s TYR 119 N -2.91 3.24 0.44 1.54 2.02 -1.26 -0.86 117.35 119.56 3jub s TYR 119 Ca -0.02 -0.76 0.06 0.00 -0.37 0.00 0.00 57.07 55.98 3jub s TYR 119 Cb 0.00 -2.80 -0.05 0.00 -0.40 0.00 0.00 41.96 38.71 3jub s TYR 119 CO -0.06 -0.68 0.11 -1.54 -1.57 0.00 0.00 175.55 171.82 3jub s SER 120 N 2.02 4.21 -0.08 2.29 1.04 -0.50 -4.50 113.70 118.18 3jub s SER 120 Ca 0.04 -1.28 -0.00 0.00 0.48 0.00 0.00 55.95 55.19 3jub s SER 120 Cb -0.21 -0.23 0.02 0.00 0.10 0.00 0.00 66.02 65.70 3jub s SER 120 CO 0.08 -0.60 -0.05 -0.60 0.98 0.00 0.00 173.24 173.05 3jub s ARG 121 N -3.86 1.16 -0.05 4.02 3.52 -0.11 -0.49 118.95 123.13 3jub s ARG 121 Ca 0.33 -0.14 0.04 0.00 -0.13 0.00 0.00 55.73 55.83 3jub s ARG 121 Cb 0.05 -1.26 -0.25 0.00 -1.56 0.00 0.00 34.95 31.93 3jub s ARG 121 CO 0.18 -0.22 0.64 0.00 -0.81 0.00 0.00 175.30 175.09 3jub h ALA 122 N 7.94 0.57 -3.14 6.12 0.00 -1.88 0.06 119.26 128.93 3jub h ALA 122 Ca -0.28 -1.36 -0.67 0.00 0.00 0.00 0.00 54.91 52.60 3jub h ALA 122 Cb 1.14 0.49 -0.34 0.00 0.00 0.00 0.00 17.79 19.08 3jub h ALA 122 CO 0.38 1.41 -0.82 0.99 0.00 0.00 0.00 179.25 181.21 3jub s THR 123 N -2.59 2.39 0.13 0.00 2.01 -1.26 -4.83 115.64 111.48 3jub s THR 123 Ca -0.10 -0.93 -0.17 0.00 0.31 0.00 0.00 61.69 60.80 3jub s THR 123 Cb 0.07 -2.08 0.04 0.00 0.01 0.00 0.00 72.50 70.54 3jub s THR 123 CO 0.81 0.44 0.42 0.72 -0.69 0.00 0.00 174.62 176.32 3jub s PHE 124 N 1.31 -0.23 -0.03 4.92 -0.12 -1.26 -5.07 117.98 117.49 3jub s PHE 124 Ca 0.03 -0.08 -0.35 0.00 -0.05 0.00 0.00 56.93 56.48 3jub s PHE 124 Cb -0.14 0.29 -0.14 0.00 -0.63 0.00 0.00 43.02 42.40 3jub s PHE 124 CO -0.10 -0.72 1.71 -2.30 -0.05 0.00 0.00 175.22 173.76 3jub n PRO 125 N -0.24 1.87 0.16 1.99 -0.02 -1.26 -4.83 135.00 132.66 3jub n PRO 125 Ca -0.16 0.68 0.06 0.00 -2.02 0.00 0.00 63.50 62.06 3jub n PRO 125 Cb 0.64 -2.45 0.54 0.00 -0.02 0.00 0.00 33.50 32.21 3jub n PRO 125 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3jub h PRO 126 N 7.41 0.21 0.00 0.52 0.11 -2.02 -0.41 132.00 137.82 3jub h PRO 126 Ca -0.47 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 3jub h PRO 126 Cb 1.28 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 3jub h PRO 126 CO 0.91 0.16 -0.01 1.05 -0.21 0.00 0.00 178.00 179.91 3jub h GLU 127 N 0.21 0.00 -0.22 1.05 9.09 -2.02 -1.77 114.58 120.91 3jub h GLU 127 Ca 0.06 0.00 0.06 0.00 0.05 0.00 0.00 59.36 59.53 3jub h GLU 127 Cb 0.01 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.10 3jub h GLU 127 CO -0.01 0.01 0.18 -1.49 0.05 0.00 0.00 179.01 177.74 3jub h TRP 128 N 0.00 0.00 0.00 2.06 4.06 -1.43 -1.37 115.95 119.27 3jub h TRP 128 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3jub h TRP 128 Cb 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.33 3jub h TRP 128 CO 0.00 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 174.88 3jub h ALA 129 N 1.86 1.00 -0.02 1.49 0.00 -1.50 -2.27 119.26 119.81 3jub h ALA 129 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3jub h ALA 129 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3jub h ALA 129 CO -0.00 0.00 -0.16 1.04 0.00 0.00 0.00 179.25 180.13 3jub n GLN 130 N -2.72 1.73 -0.88 0.00 1.13 -0.52 -4.95 117.38 111.18 3jub n GLN 130 Ca -0.00 -1.34 -0.30 0.00 -1.94 0.00 0.00 57.00 53.43 3jub n GLN 130 Cb 0.19 -1.47 0.18 0.00 0.11 0.00 0.00 30.24 29.25 3jub n GLN 130 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3jub s LEU 131 N -2.19 2.04 0.26 1.08 1.43 -0.86 -4.91 118.68 115.53 3jub s LEU 131 Ca 0.27 1.71 -0.31 0.00 -1.03 0.00 0.00 54.13 54.77 3jub s LEU 131 Cb 0.20 -3.98 -0.13 0.00 0.03 0.00 0.00 46.19 42.31 3jub s LEU 131 CO 0.41 -3.20 1.41 -2.65 0.23 0.00 0.00 176.35 172.55 3jub n PRO 132 N -4.27 2.10 -3.32 1.29 -0.02 -1.26 -4.96 135.00 124.57 3jub n PRO 132 Ca 0.07 0.75 -0.38 0.00 -2.02 0.00 0.00 63.50 61.92 3jub n PRO 132 Cb 0.54 -2.41 -0.06 0.00 -0.02 0.00 0.00 33.50 31.55 3jub n PRO 132 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3jub s HIS 133 N -0.16 3.64 -0.11 6.00 3.76 -1.26 -4.47 115.29 122.68 3jub s HIS 133 Ca 0.66 1.04 -0.02 0.00 -0.15 0.00 0.00 55.06 56.60 3jub s HIS 133 Cb -0.63 -2.50 -0.03 0.00 1.11 0.00 0.00 32.58 30.53 3jub s HIS 133 CO 0.51 0.37 -0.04 -1.01 -0.85 0.00 0.00 174.74 173.73 3jub s HIS 134 N -0.18 3.03 -0.08 1.40 3.76 -0.10 -4.97 115.29 118.15 3jub s HIS 134 Ca 0.27 -0.08 0.15 0.00 -0.15 0.00 0.00 55.06 55.24 3jub s HIS 134 Cb -0.17 -1.85 -0.16 0.00 1.11 0.00 0.00 32.58 31.51 3jub s HIS 134 CO 0.14 0.19 0.83 0.38 -0.85 0.00 0.00 174.74 175.43 3jub h ASP 135 N 5.91 0.00 -2.74 1.40 2.03 -1.89 -3.39 116.42 117.74 3jub h ASP 135 Ca -0.41 0.00 -0.37 0.00 -0.73 0.00 0.00 57.03 55.52 3jub h ASP 135 Cb 1.19 0.00 -0.38 0.00 -0.83 0.00 0.00 39.33 39.31 3jub h ASP 135 CO 0.58 0.75 -0.67 -0.55 -1.03 0.00 0.00 179.24 178.32 3jub s SER 136 N -5.99 1.71 0.24 4.15 0.15 -1.26 -0.42 113.70 112.28 3jub s SER 136 Ca -0.03 -0.35 -0.30 0.00 0.70 0.00 0.00 55.95 55.98 3jub s SER 136 Cb 0.08 0.15 -0.09 0.00 -1.71 0.00 0.00 66.02 64.45 3jub s SER 136 CO 0.81 -0.33 1.07 -0.47 1.20 0.00 0.00 173.24 175.53 3jub s TYR 137 N 2.26 3.65 -0.12 3.44 5.04 -1.26 -5.04 117.35 125.31 3jub s TYR 137 Ca 0.05 1.70 -0.05 0.00 -2.44 0.00 0.00 57.07 56.33 3jub s TYR 137 Cb -0.16 -3.23 0.06 0.00 0.35 0.00 0.00 41.96 38.98 3jub s TYR 137 CO -0.11 -0.41 0.26 0.34 -1.34 0.00 0.00 175.55 174.29 3jub s ASP 138 N -0.65 0.23 0.33 4.32 -1.08 -1.26 -4.91 116.67 113.65 3jub s ASP 138 Ca 0.46 0.58 0.08 0.00 -0.52 0.00 0.00 52.55 53.14 3jub s ASP 138 Cb -0.30 0.63 0.78 0.00 -1.46 0.00 0.00 42.92 42.57 3jub s ASP 138 CO 0.37 -0.22 1.81 -1.28 0.52 0.00 0.00 175.17 176.37 3jub h SER 139 N 8.06 0.73 -0.48 -0.34 0.87 -1.94 -0.85 113.55 119.60 3jub h SER 139 Ca -0.20 0.07 -0.08 0.00 -1.23 0.00 0.00 61.79 60.36 3jub h SER 139 Cb 1.12 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.97 3jub h SER 139 CO 0.18 0.30 0.10 -0.62 -0.53 0.00 0.00 176.83 176.26 3jub n GLU 140 N -4.67 3.45 -1.71 2.24 -0.58 -1.26 -3.63 120.64 114.48 3jub n GLU 140 Ca 0.21 -2.26 -0.30 0.00 -0.42 0.00 0.00 57.16 54.39 3jub n GLU 140 Cb 0.55 -2.02 0.22 0.00 -0.57 0.00 0.00 31.44 29.62 3jub n GLU 140 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3jub n GLY 141 N 0.22 -1.83 0.26 0.62 0.00 -0.33 -4.93 105.19 99.21 3jub n GLY 141 Ca 0.25 -1.66 0.18 0.00 0.00 0.00 0.00 46.02 44.79 3jub n GLY 141 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3jub h PRO 142 N 0.00 0.00 0.00 1.61 0.11 -1.94 -2.47 132.00 129.31 3jub h PRO 142 Ca -0.43 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.63 3jub h PRO 142 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3jub h PRO 142 CO 0.30 0.00 -0.25 1.12 -0.21 0.00 0.00 178.00 178.96 3jub h HIS 143 N 0.00 0.00 0.00 0.65 2.07 -1.92 -3.47 115.15 112.48 3jub h HIS 143 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3jub h HIS 143 Cb 0.22 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.20 3jub h HIS 143 CO 0.00 0.25 0.00 0.41 -3.07 0.00 0.00 177.93 175.52 3jub n GLY 144 N -0.19 1.15 3.14 6.13 0.00 -0.93 -4.97 105.19 109.52 3jub n GLY 144 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 3jub n GLY 144 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3jub n LEU 145 N 0.00 6.00 -4.77 0.99 4.77 -1.26 -4.99 117.00 117.75 3jub n LEU 145 Ca 0.00 -4.56 -0.40 0.00 -0.03 0.00 0.00 56.01 51.01 3jub n LEU 145 Cb 0.00 -1.54 -0.02 0.00 -2.33 0.00 0.00 43.42 39.53 3jub n LEU 145 CO 0.00 1.09 0.97 -0.13 -1.33 0.00 0.00 177.39 177.99 3jub s ARG 146 N 0.90 4.26 0.25 3.23 0.52 -1.24 -4.87 118.95 122.00 3jub s ARG 146 Ca 0.41 2.20 -0.31 0.00 -0.52 0.00 0.00 55.73 57.51 3jub s ARG 146 Cb 0.04 -2.99 -0.13 0.00 0.52 0.00 0.00 34.95 32.39 3jub s ARG 146 CO 0.00 -0.27 1.50 0.98 0.02 0.00 0.00 175.30 177.53 3jub n TYR 147 N 0.62 2.42 -3.35 -0.53 9.36 -1.26 -4.69 117.16 119.73 3jub n TYR 147 Ca 0.01 0.34 -0.26 0.00 3.32 0.00 0.00 57.90 61.31 3jub n TYR 147 Cb 0.42 -2.52 -0.09 0.00 -0.63 0.00 0.00 39.34 36.52 3jub n TYR 147 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 3jub n ASN 148 N 2.33 0.13 0.00 2.98 5.15 -0.09 -4.97 115.26 120.79 3jub n ASN 148 Ca 0.11 -2.58 0.08 0.00 -0.60 0.00 0.00 54.58 51.59 3jub n ASN 148 Cb 0.33 -0.60 0.36 0.00 -0.53 0.00 0.00 39.78 39.34 3jub n ASN 148 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3jub n PRO 149 N 2.21 0.07 0.00 1.20 -0.04 -1.26 -4.38 135.00 132.80 3jub n PRO 149 Ca 0.26 0.20 0.16 0.00 -0.04 0.00 0.00 63.50 64.08 3jub n PRO 149 Cb 0.49 -1.50 0.93 0.00 -0.04 0.00 0.00 33.50 33.38 3jub n PRO 149 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00