#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jj2 n HIS 11 N 0.00 -1.62 0.00 2.97 1.44 -1.26 -3.66 115.22 113.09 1jj2 n HIS 11 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1jj2 n HIS 11 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 1jj2 n HIS 11 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 1jj2 n GLU 12 N -1.15 0.00 -0.11 -1.40 2.13 -1.26 -4.07 120.64 114.77 1jj2 n GLU 12 Ca 0.00 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.87 1jj2 n GLU 12 Cb 0.00 -0.42 0.11 0.00 0.27 0.00 0.00 31.44 31.40 1jj2 n GLU 12 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 1jj2 n MET 13 N 0.00 2.18 0.00 5.31 2.81 -1.24 -4.35 117.12 121.83 1jj2 n MET 13 Ca 0.00 -1.74 0.00 0.00 -1.81 0.00 0.00 57.70 54.15 1jj2 n MET 13 Cb 0.00 -1.23 0.00 0.00 -0.71 0.00 0.00 33.22 31.28 1jj2 n MET 13 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1jj2 n ARG 14 N 0.46 4.89 -2.71 0.03 5.12 -1.25 -4.30 116.66 118.89 1jj2 n ARG 14 Ca 0.09 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.59 1jj2 n ARG 14 Cb 0.36 -0.62 -0.03 0.00 -1.16 0.00 0.00 32.46 31.01 1jj2 n ARG 14 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 1jj2 s GLU 15 N -1.23 4.57 1.06 5.56 -1.05 -1.26 -4.89 118.70 121.46 1jj2 s GLU 15 Ca 0.00 1.42 -0.19 0.00 -0.15 0.00 0.00 54.97 56.05 1jj2 s GLU 15 Cb 0.00 -3.46 0.03 0.00 -0.44 0.00 0.00 34.13 30.26 1jj2 s GLU 15 CO 0.00 -0.03 -0.19 -2.30 0.95 0.00 0.00 175.26 173.69 1jj2 n PRO 16 N 3.84 -0.96 -3.51 -4.83 -0.02 -1.26 -4.45 135.00 123.80 1jj2 n PRO 16 Ca 0.06 -0.26 -0.10 0.00 -2.02 0.00 0.00 63.50 61.18 1jj2 n PRO 16 Cb 0.51 -1.59 -0.03 0.00 -0.02 0.00 0.00 33.50 32.37 1jj2 n PRO 16 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1jj2 s ARG 17 N -3.18 0.84 -0.16 -0.52 1.70 -0.82 -4.97 118.95 111.84 1jj2 s ARG 17 Ca 0.52 -0.17 -0.22 0.00 -0.47 0.00 0.00 55.73 55.39 1jj2 s ARG 17 Cb -0.11 0.39 -0.03 0.00 -0.57 0.00 0.00 34.95 34.63 1jj2 s ARG 17 CO 0.68 -0.34 0.66 0.42 -1.08 0.00 0.00 175.30 175.63 1jj2 s ILE 18 N -2.58 5.02 -0.31 4.99 1.01 -1.26 -2.76 121.20 125.31 1jj2 s ILE 18 Ca 0.02 1.27 0.04 0.00 0.00 0.00 0.00 60.65 61.98 1jj2 s ILE 18 Cb -0.01 -3.98 0.08 0.00 0.01 0.00 0.00 42.46 38.57 1jj2 s ILE 18 CO -0.05 0.14 -0.01 -0.70 0.00 0.00 0.00 174.94 174.32 1jj2 s GLU 19 N 1.62 1.74 0.57 2.79 2.12 -0.37 -4.65 118.70 122.52 1jj2 s GLU 19 Ca 0.31 -1.66 0.00 0.00 0.36 0.00 0.00 54.97 53.98 1jj2 s GLU 19 Cb -0.16 -3.07 0.00 0.00 0.26 0.00 0.00 34.13 31.16 1jj2 s GLU 19 CO 0.12 -0.80 0.00 0.36 -0.54 0.00 0.00 175.26 174.40 1jj2 n LYS 20 N 4.33 -4.76 -3.83 4.30 2.85 -1.21 -3.94 118.16 115.90 1jj2 n LYS 20 Ca -0.03 3.57 -0.26 0.00 -1.05 0.00 0.00 58.31 60.54 1jj2 n LYS 20 Cb 0.42 -4.09 -0.17 0.00 -0.65 0.00 0.00 35.03 30.54 1jj2 n LYS 20 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1jj2 s VAL 21 N -3.85 0.74 -0.40 0.58 1.01 -0.36 -2.46 120.40 115.65 1jj2 s VAL 21 Ca 0.00 -0.20 -0.15 0.00 0.00 0.00 0.00 61.98 61.63 1jj2 s VAL 21 Cb 0.00 -0.88 0.01 0.00 0.00 0.00 0.00 36.38 35.52 1jj2 s VAL 21 CO 0.00 0.24 0.30 -0.69 0.00 0.00 0.00 175.10 174.94 1jj2 s VAL 22 N 1.81 5.26 -0.38 2.92 1.01 -0.31 -1.89 120.40 128.82 1jj2 s VAL 22 Ca 0.04 -0.58 -0.13 0.00 0.00 0.00 0.00 61.98 61.31 1jj2 s VAL 22 Cb -0.13 -3.90 0.01 0.00 0.00 0.00 0.00 36.38 32.35 1jj2 s VAL 22 CO -0.07 -0.27 0.26 0.68 0.00 0.00 0.00 175.10 175.70 1jj2 s VAL 23 N 1.71 5.09 0.01 2.92 -7.23 -0.45 -1.50 120.40 120.94 1jj2 s VAL 23 Ca 0.05 -0.57 0.02 0.00 -1.81 0.00 0.00 61.98 59.68 1jj2 s VAL 23 Cb -0.19 -3.76 -0.01 0.00 0.56 0.00 0.00 36.38 32.98 1jj2 s VAL 23 CO 0.10 -0.19 -0.08 -2.28 -0.31 0.00 0.00 175.10 172.34 1jj2 s HIS 24 N 1.66 0.68 -0.52 2.82 5.04 -0.88 -0.51 115.29 123.58 1jj2 s HIS 24 Ca 0.05 -0.22 -0.02 0.00 -1.54 0.00 0.00 55.06 53.33 1jj2 s HIS 24 Cb -0.18 -0.42 0.14 0.00 0.04 0.00 0.00 32.58 32.15 1jj2 s HIS 24 CO 0.09 -0.02 0.31 -1.64 -2.34 0.00 0.00 174.74 171.14 1jj2 s MET 25 N -0.57 2.22 -1.16 2.88 -1.94 -0.38 -1.86 119.30 118.49 1jj2 s MET 25 Ca -0.00 -2.24 -0.22 0.00 -1.71 0.00 0.00 55.69 51.52 1jj2 s MET 25 Cb -0.05 -3.60 -0.08 0.00 2.01 0.00 0.00 34.83 33.12 1jj2 s MET 25 CO 0.00 -1.11 1.91 0.41 -0.01 0.00 0.00 175.02 176.22 1jj2 n GLY 26 N 3.90 1.40 0.90 -0.03 0.00 -1.26 -3.47 105.19 106.62 1jj2 n GLY 26 Ca 0.04 -0.84 -0.07 0.00 0.00 0.00 0.00 46.02 45.14 1jj2 n GLY 26 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1jj2 n ILE 27 N 7.42 0.00 -1.38 -0.61 5.41 -1.11 -4.99 119.36 124.10 1jj2 n ILE 27 Ca 0.46 -0.21 0.08 0.00 1.00 0.00 0.00 62.75 64.08 1jj2 n ILE 27 Cb 0.46 -1.73 0.17 0.00 -0.71 0.00 0.00 39.64 37.83 1jj2 n ILE 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1jj2 n GLY 28 N 2.55 4.86 0.00 7.39 0.00 -1.26 -4.55 105.19 114.18 1jj2 n GLY 28 Ca 0.04 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.86 1jj2 n GLY 28 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1jj2 n HIS 29 N -1.21 0.00 -3.72 1.61 -0.00 -1.26 -4.97 115.22 105.67 1jj2 n HIS 29 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.89 1jj2 n HIS 29 Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.67 1jj2 n HIS 29 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1jj2 n ALA 35 N 0.00 0.00 0.32 1.59 0.00 -1.26 -4.70 120.51 116.46 1jj2 n ALA 35 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1jj2 n ALA 35 Cb 0.00 0.00 0.38 0.00 0.00 0.00 0.00 19.45 19.83 1jj2 n ALA 35 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1jj2 h ASN 36 N 0.00 0.00 0.14 0.00 -1.07 -2.04 -0.35 115.58 112.27 1jj2 h ASN 36 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 56.30 56.32 1jj2 h ASN 36 Cb 0.00 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.24 1jj2 h ASN 36 CO 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 177.43 177.31 1jj2 h ALA 37 N 0.65 1.58 -0.62 4.14 0.00 -2.02 -3.22 119.26 119.78 1jj2 h ALA 37 Ca 0.00 -0.20 0.11 0.00 0.00 0.00 0.00 54.91 54.82 1jj2 h ALA 37 Cb 1.31 -0.06 -0.12 0.00 0.00 0.00 0.00 17.79 18.93 1jj2 h ALA 37 CO 0.00 0.31 -0.31 0.93 0.00 0.00 0.00 179.25 180.17 1jj2 h GLU 38 N 0.09 -0.13 -0.87 0.00 5.08 -1.48 -2.22 114.58 115.04 1jj2 h GLU 38 Ca 0.02 0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.54 1jj2 h GLU 38 Cb 0.39 0.03 -0.16 0.00 0.50 0.00 0.00 28.75 29.51 1jj2 h GLU 38 CO 0.03 -0.09 -0.27 -0.25 -1.00 0.00 0.00 179.01 177.43 1jj2 n ASP 39 N -5.44 -0.41 0.01 1.42 8.00 -1.22 0.63 116.55 119.53 1jj2 n ASP 39 Ca 0.05 1.51 -0.05 0.00 0.71 0.00 0.00 54.79 57.01 1jj2 n ASP 39 Cb 0.36 -0.41 0.17 0.00 -0.02 0.00 0.00 41.12 41.21 1jj2 n ASP 39 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 1jj2 h ILE 40 N 0.00 1.28 -0.50 0.53 3.07 -1.63 -2.62 117.51 117.64 1jj2 h ILE 40 Ca 0.37 -1.37 -0.07 0.00 1.55 0.00 0.00 64.86 65.34 1jj2 h ILE 40 Cb 0.59 1.42 -0.02 0.00 -0.27 0.00 0.00 36.82 38.54 1jj2 h ILE 40 CO -0.89 0.43 0.03 -0.07 -1.05 0.00 0.00 178.15 176.61 1jj2 h LEU 41 N 0.44 0.77 -1.07 0.16 3.38 0.34 0.65 115.31 119.97 1jj2 h LEU 41 Ca 0.06 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 1jj2 h LEU 41 Cb 0.75 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1jj2 h LEU 41 CO 0.06 0.82 0.09 1.23 0.09 0.00 0.00 178.44 180.73 1jj2 h GLY 42 N 0.97 0.81 1.40 0.83 0.00 -0.52 -1.54 103.07 105.03 1jj2 h GLY 42 Ca 0.15 -0.47 -0.28 0.00 0.00 0.00 0.00 47.33 46.72 1jj2 h GLY 42 CO 0.02 0.44 -1.41 0.83 0.00 0.00 0.00 176.54 176.42 1jj2 h GLU 43 N 0.72 0.19 0.00 4.80 5.08 -1.21 0.32 114.58 124.48 1jj2 h GLU 43 Ca 0.16 -0.33 -0.09 0.00 -1.00 0.00 0.00 59.36 58.10 1jj2 h GLU 43 Cb 0.32 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1jj2 h GLU 43 CO 0.00 1.06 -0.43 0.97 -1.00 0.00 0.00 179.01 179.61 1jj2 h ILE 44 N 0.05 1.20 0.00 3.13 2.10 -0.78 -3.37 117.51 119.84 1jj2 h ILE 44 Ca -0.19 -1.54 -0.10 0.00 1.08 0.00 0.00 64.86 64.11 1jj2 h ILE 44 Cb 1.97 1.86 -0.01 0.00 -1.09 0.00 0.00 36.82 39.54 1jj2 h ILE 44 CO 0.16 0.42 -1.10 0.35 -1.08 0.00 0.00 178.15 176.90 1jj2 n THR 45 N -3.86 1.31 0.00 2.19 -2.24 -0.59 -4.94 114.28 106.15 1jj2 n THR 45 Ca -0.01 0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1jj2 n THR 45 Cb 0.48 -2.00 0.00 0.00 -2.10 0.00 0.00 70.33 66.71 1jj2 n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jj2 n GLY 46 N 2.02 0.98 3.28 3.38 0.00 0.11 -4.95 105.19 110.00 1jj2 n GLY 46 Ca -0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 1jj2 n GLY 46 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1jj2 s GLN 47 N 0.00 0.67 0.19 1.61 -2.07 -1.22 -5.02 119.66 113.82 1jj2 s GLN 47 Ca 0.00 -0.00 -0.25 0.00 -1.82 0.00 0.00 55.36 53.29 1jj2 s GLN 47 Cb 0.00 0.30 -0.15 0.00 -1.09 0.00 0.00 33.01 32.07 1jj2 s GLN 47 CO 0.00 -0.17 0.46 -1.33 -1.32 0.00 0.00 175.29 172.93 1jj2 n MET 48 N 1.55 0.00 -2.85 9.60 2.81 -1.26 -4.57 117.12 122.40 1jj2 n MET 48 Ca -0.20 0.00 -0.25 0.00 -1.81 0.00 0.00 57.70 55.44 1jj2 n MET 48 Cb 0.56 -0.91 0.01 0.00 -0.71 0.00 0.00 33.22 32.17 1jj2 n MET 48 CO 0.00 0.00 0.00 -2.14 1.51 0.00 0.00 175.97 175.34 1jj2 s PRO 49 N -0.91 3.23 -0.03 0.03 0.02 -1.26 -4.87 135.00 131.21 1jj2 s PRO 49 Ca 0.58 -0.18 0.07 0.00 0.02 0.00 0.00 61.00 61.49 1jj2 s PRO 49 Cb -0.84 -2.47 -0.02 0.00 0.02 0.00 0.00 34.50 31.19 1jj2 s PRO 49 CO 0.51 -0.27 -0.25 0.08 -0.33 0.00 0.00 177.00 176.74 1jj2 s VAL 50 N -2.65 2.08 0.79 3.83 1.01 -0.31 -4.91 120.40 120.23 1jj2 s VAL 50 Ca 0.48 -1.09 -0.14 0.00 0.00 0.00 0.00 61.98 61.23 1jj2 s VAL 50 Cb -0.10 -1.73 0.04 0.00 0.00 0.00 0.00 36.38 34.59 1jj2 s VAL 50 CO 0.41 0.58 0.95 0.54 0.00 0.00 0.00 175.10 177.58 1jj2 n ARG 51 N 2.60 0.23 -3.81 2.72 5.12 -1.26 -1.74 116.66 120.52 1jj2 n ARG 51 Ca -0.16 0.14 -0.30 0.00 -1.93 0.00 0.00 57.85 55.60 1jj2 n ARG 51 Cb 0.51 -2.23 -0.14 0.00 -1.16 0.00 0.00 32.46 29.45 1jj2 n ARG 51 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1jj2 s THR 52 N -2.04 1.68 0.79 0.55 2.01 0.25 -4.77 115.64 114.11 1jj2 s THR 52 Ca 0.70 -2.49 -0.11 0.00 0.31 0.00 0.00 61.69 60.11 1jj2 s THR 52 Cb -0.30 -2.20 0.06 0.00 0.01 0.00 0.00 72.50 70.07 1jj2 s THR 52 CO 0.54 -0.80 1.09 -0.54 -0.69 0.00 0.00 174.62 174.22 1jj2 s LYS 53 N 0.51 2.14 0.21 4.92 1.02 -1.25 -1.32 119.74 125.98 1jj2 s LYS 53 Ca 0.15 0.99 0.10 0.00 0.02 0.00 0.00 55.97 57.23 1jj2 s LYS 53 Cb -0.23 -1.90 -0.05 0.00 -0.52 0.00 0.00 37.83 35.14 1jj2 s LYS 53 CO -0.05 -1.67 -0.20 0.00 -0.92 0.00 0.00 175.35 172.51 1jj2 s ALA 54 N -2.97 2.35 0.05 5.17 0.00 -1.18 -4.88 121.76 120.30 1jj2 s ALA 54 Ca 0.61 -1.67 0.05 0.00 0.00 0.00 0.00 51.96 50.95 1jj2 s ALA 54 Cb -0.16 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 1jj2 s ALA 54 CO 0.56 0.27 -0.06 0.15 0.00 0.00 0.00 175.76 176.68 1jj2 s LYS 55 N -3.10 2.42 0.08 0.00 1.02 -1.26 -4.28 119.74 114.62 1jj2 s LYS 55 Ca 0.22 -0.84 0.00 0.00 0.02 0.00 0.00 55.97 55.37 1jj2 s LYS 55 Cb -0.05 -2.45 0.00 0.00 -0.52 0.00 0.00 37.83 34.81 1jj2 s LYS 55 CO 0.10 0.56 0.00 0.54 -0.92 0.00 0.00 175.35 175.63 1jj2 n ARG 56 N 1.06 -0.62 -3.48 1.68 1.74 -1.26 -4.96 116.66 110.82 1jj2 n ARG 56 Ca -0.14 0.47 -0.37 0.00 -0.77 0.00 0.00 57.85 57.05 1jj2 n ARG 56 Cb 0.52 -0.57 -0.07 0.00 -1.02 0.00 0.00 32.46 31.32 1jj2 n ARG 56 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1jj2 s THR 57 N -3.67 5.26 0.10 0.55 2.01 -1.26 -4.70 115.64 113.94 1jj2 s THR 57 Ca 0.00 0.66 -0.07 0.00 0.31 0.00 0.00 61.69 62.59 1jj2 s THR 57 Cb 0.00 -3.68 -0.01 0.00 0.01 0.00 0.00 72.50 68.82 1jj2 s THR 57 CO 0.00 0.39 0.16 -0.69 -0.69 0.00 0.00 174.62 173.79 1jj2 s VAL 58 N 0.40 0.13 0.48 3.82 1.01 0.86 -4.91 120.40 122.19 1jj2 s VAL 58 Ca 0.19 -1.40 0.25 0.00 0.00 0.00 0.00 61.98 61.02 1jj2 s VAL 58 Cb -0.14 -1.56 0.44 0.00 0.00 0.00 0.00 36.38 35.12 1jj2 s VAL 58 CO 0.06 -0.60 1.87 1.23 0.00 0.00 0.00 175.10 177.65 1jj2 h GLY 59 N 2.77 0.43 -4.63 4.51 0.00 -1.98 -2.29 103.07 101.88 1jj2 h GLY 59 Ca -0.34 -0.09 -0.12 0.00 0.00 0.00 0.00 47.33 46.79 1jj2 h GLY 59 CO 0.56 -0.02 0.34 -1.84 0.00 0.00 0.00 176.54 175.58 1jj2 n GLU 60 N -4.39 1.08 -2.47 4.80 0.28 -1.26 -4.47 120.64 114.21 1jj2 n GLU 60 Ca 0.19 -0.59 -0.03 0.00 -0.16 0.00 0.00 57.16 56.58 1jj2 n GLU 60 Cb 0.86 -1.82 -0.01 0.00 1.43 0.00 0.00 31.44 31.90 1jj2 n GLU 60 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1jj2 n PHE 61 N 2.94 -1.78 -3.54 -1.84 -0.00 -1.21 -4.79 117.46 107.23 1jj2 n PHE 61 Ca 0.23 0.04 -0.32 0.00 -0.00 0.00 0.00 57.45 57.41 1jj2 n PHE 61 Cb 0.41 -0.97 -0.07 0.00 -0.00 0.00 0.00 39.48 38.85 1jj2 n PHE 61 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1jj2 n ASP 62 N -1.44 4.10 -0.03 -2.13 2.03 -0.87 -4.76 116.55 113.46 1jj2 n ASP 62 Ca 0.01 -3.30 0.04 0.00 0.52 0.00 0.00 54.79 52.06 1jj2 n ASP 62 Cb 0.46 -0.88 -0.15 0.00 -0.72 0.00 0.00 41.12 39.82 1jj2 n ASP 62 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1jj2 n ILE 63 N 1.58 0.38 -1.83 5.18 -5.35 -1.25 -0.10 119.36 117.97 1jj2 n ILE 63 Ca 0.25 -0.55 -0.42 0.00 -0.27 0.00 0.00 62.75 61.75 1jj2 n ILE 63 Cb 0.37 -0.12 -0.03 0.00 -1.74 0.00 0.00 39.64 38.12 1jj2 n ILE 63 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1jj2 s ARG 64 N -3.11 4.17 0.00 6.28 3.52 -1.26 -4.29 118.95 124.26 1jj2 s ARG 64 Ca -0.08 2.44 0.00 0.00 -0.13 0.00 0.00 55.73 57.96 1jj2 s ARG 64 Cb 0.11 -3.70 0.00 0.00 -1.56 0.00 0.00 34.95 29.80 1jj2 s ARG 64 CO 0.81 -0.81 0.28 -1.91 -0.81 0.00 0.00 175.30 172.86 1jj2 n GLU 65 N 5.98 0.00 -2.20 5.12 2.13 -1.26 -4.51 120.64 125.90 1jj2 n GLU 65 Ca 0.17 0.14 -0.43 0.00 0.66 0.00 0.00 57.16 57.70 1jj2 n GLU 65 Cb 0.40 -0.85 -0.02 0.00 0.27 0.00 0.00 31.44 31.23 1jj2 n GLU 65 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1jj2 s GLY 66 N -0.84 1.31 -0.29 8.31 0.00 -1.26 -3.12 107.32 111.43 1jj2 s GLY 66 Ca 0.00 0.41 -0.16 0.00 0.00 0.00 0.00 44.72 44.97 1jj2 s GLY 66 CO 0.00 2.87 0.99 0.51 0.00 0.00 0.00 173.10 177.47 1jj2 s ASP 67 N 3.65 -0.51 0.08 1.64 -4.77 -1.26 -4.95 116.67 110.56 1jj2 s ASP 67 Ca 0.67 0.78 -0.31 0.00 -3.30 0.00 0.00 52.55 50.39 1jj2 s ASP 67 Cb -0.23 1.31 -0.09 0.00 -1.09 0.00 0.00 42.92 42.82 1jj2 s ASP 67 CO 0.27 -0.12 1.78 -2.84 0.70 0.00 0.00 175.17 174.95 1jj2 s PRO 68 N 1.60 4.16 0.00 2.11 0.02 -1.26 -3.43 135.00 138.20 1jj2 s PRO 68 Ca -0.07 2.48 0.21 0.00 0.02 0.00 0.00 61.00 63.63 1jj2 s PRO 68 Cb -0.04 -3.71 0.34 0.00 0.02 0.00 0.00 34.50 31.11 1jj2 s PRO 68 CO -0.15 -0.82 1.13 -0.89 -0.33 0.00 0.00 177.00 175.93 1jj2 n ILE 69 N 4.91 0.00 0.00 2.83 5.41 -0.43 -4.27 119.36 127.81 1jj2 n ILE 69 Ca 0.17 -0.79 0.00 0.00 1.00 0.00 0.00 62.75 63.13 1jj2 n ILE 69 Cb 0.40 0.89 0.00 0.00 -0.71 0.00 0.00 39.64 40.22 1jj2 n ILE 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1jj2 n GLY 70 N 0.40 2.86 3.18 7.39 0.00 -1.25 -2.77 105.19 115.00 1jj2 n GLY 70 Ca 0.02 -1.68 -0.11 0.00 0.00 0.00 0.00 46.02 44.25 1jj2 n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jj2 s ALA 71 N -1.91 1.05 0.13 4.61 0.00 -1.23 0.86 121.76 125.27 1jj2 s ALA 71 Ca 0.00 -1.52 -0.05 0.00 0.00 0.00 0.00 51.96 50.38 1jj2 s ALA 71 Cb 0.00 0.77 -0.02 0.00 0.00 0.00 0.00 23.12 23.87 1jj2 s ALA 71 CO 0.00 -0.43 0.16 -1.59 0.00 0.00 0.00 175.76 173.90 1jj2 s LYS 72 N -4.00 0.99 -0.11 0.00 -2.85 -0.71 -1.25 119.74 111.81 1jj2 s LYS 72 Ca 0.24 -1.25 -0.04 0.00 -1.00 0.00 0.00 55.97 53.92 1jj2 s LYS 72 Cb 0.07 0.31 0.06 0.00 -2.06 0.00 0.00 37.83 36.21 1jj2 s LYS 72 CO 0.03 -0.32 0.21 0.08 0.10 0.00 0.00 175.35 175.45 1jj2 s VAL 73 N -3.98 -0.32 -0.30 1.79 1.01 0.33 -1.17 120.40 117.76 1jj2 s VAL 73 Ca 0.18 0.31 -0.12 0.00 0.00 0.00 0.00 61.98 62.34 1jj2 s VAL 73 Cb 0.05 -0.37 -0.03 0.00 0.00 0.00 0.00 36.38 36.03 1jj2 s VAL 73 CO -0.01 0.13 0.25 0.42 0.00 0.00 0.00 175.10 175.88 1jj2 s THR 74 N 2.30 5.27 -0.05 3.92 -4.23 -1.26 -1.35 115.64 120.24 1jj2 s THR 74 Ca 0.02 0.10 0.00 0.00 -1.18 0.00 0.00 61.69 60.63 1jj2 s THR 74 Cb -0.12 -3.64 -0.03 0.00 1.34 0.00 0.00 72.50 70.05 1jj2 s THR 74 CO -0.07 0.13 -0.03 -0.76 -0.54 0.00 0.00 174.62 173.34 1jj2 s LEU 75 N 1.82 3.37 0.04 4.79 1.43 -0.79 -4.90 118.68 124.43 1jj2 s LEU 75 Ca 0.08 0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.23 1jj2 s LEU 75 Cb -0.16 -1.81 -0.02 0.00 0.03 0.00 0.00 46.19 44.22 1jj2 s LEU 75 CO 0.11 0.34 -0.09 -0.13 0.23 0.00 0.00 176.35 176.81 1jj2 s ARG 76 N -1.07 0.61 6.48 1.70 0.52 -1.26 -1.23 118.95 124.71 1jj2 s ARG 76 Ca 0.15 -0.72 0.00 0.00 -0.52 0.00 0.00 55.73 54.64 1jj2 s ARG 76 Cb -0.11 -0.47 0.00 0.00 0.52 0.00 0.00 34.95 34.88 1jj2 s ARG 76 CO 0.04 0.10 0.00 -0.25 0.02 0.00 0.00 175.30 175.21 1jj2 n ASP 77 N 1.66 0.00 -0.17 0.23 8.00 -1.26 -3.21 116.55 121.80 1jj2 n ASP 77 Ca -0.21 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.24 1jj2 n ASP 77 Cb 0.55 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.69 1jj2 n ASP 77 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1jj2 h GLU 78 N 0.00 0.61 -0.66 -1.24 5.08 -1.98 -1.45 114.58 114.94 1jj2 h GLU 78 Ca 0.00 -0.04 0.19 0.00 -1.00 0.00 0.00 59.36 58.51 1jj2 h GLU 78 Cb 0.00 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 1jj2 h GLU 78 CO 0.00 0.40 0.59 0.52 -1.00 0.00 0.00 179.01 179.52 1jj2 h MET 79 N 0.62 0.00 0.17 2.33 2.86 -1.94 0.29 114.93 119.26 1jj2 h MET 79 Ca 0.21 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.51 1jj2 h MET 79 Cb 0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.67 1jj2 h MET 79 CO -0.09 0.00 -1.68 0.00 1.06 0.00 0.00 176.91 176.21 1jj2 h ALA 80 N 1.45 0.19 0.46 6.32 0.00 -1.39 -3.26 119.26 123.03 1jj2 h ALA 80 Ca 0.31 -1.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.07 1jj2 h ALA 80 Cb 1.48 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.67 1jj2 h ALA 80 CO -0.00 1.06 -0.22 0.93 0.00 0.00 0.00 179.25 181.01 1jj2 h GLU 81 N 0.10 -0.60 0.00 0.00 5.08 -0.45 -1.08 114.58 117.62 1jj2 h GLU 81 Ca -0.31 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1jj2 h GLU 81 Cb 2.08 0.14 0.00 0.00 0.50 0.00 0.00 28.75 31.46 1jj2 h GLU 81 CO 0.18 -0.36 0.43 0.93 -1.00 0.00 0.00 179.01 179.18 1jj2 h GLU 82 N -1.13 0.00 0.01 2.33 5.08 -0.72 0.42 114.58 120.57 1jj2 h GLU 82 Ca -0.06 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.01 1jj2 h GLU 82 Cb 0.51 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 1jj2 h GLU 82 CO 0.10 0.00 -1.56 0.34 -1.00 0.00 0.00 179.01 176.90 1jj2 n PHE 83 N -2.24 0.88 0.30 4.33 7.35 -1.14 -4.14 117.46 122.81 1jj2 n PHE 83 Ca -0.01 0.35 0.18 0.00 -0.76 0.00 0.00 57.45 57.21 1jj2 n PHE 83 Cb 0.45 -1.09 0.85 0.00 0.35 0.00 0.00 39.48 40.04 1jj2 n PHE 83 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1jj2 h LEU 84 N -0.86 0.00 -0.52 -2.13 3.38 0.99 -1.42 115.31 114.75 1jj2 h LEU 84 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1jj2 h LEU 84 Cb 1.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.20 1jj2 h LEU 84 CO -0.21 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.32 1jj2 n GLN 85 N -2.87 0.68 0.00 1.13 6.02 0.88 -2.11 117.38 121.10 1jj2 n GLN 85 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1jj2 n GLN 85 Cb 0.17 -1.18 0.00 0.00 1.02 0.00 0.00 30.24 30.26 1jj2 n GLN 85 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1jj2 n THR 86 N -0.15 0.00 0.16 5.09 -2.24 -0.90 -4.88 114.28 111.36 1jj2 n THR 86 Ca 0.00 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 1jj2 n THR 86 Cb 0.09 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.27 1jj2 n THR 86 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jj2 h ALA 87 N 0.00 -0.49 -0.51 6.98 0.00 -1.05 -3.19 119.26 121.00 1jj2 h ALA 87 Ca 0.00 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 54.86 1jj2 h ALA 87 Cb 0.00 0.19 -0.11 0.00 0.00 0.00 0.00 17.79 17.87 1jj2 h ALA 87 CO 0.00 -0.48 -0.30 -0.07 0.00 0.00 0.00 179.25 178.41 1jj2 h LEU 88 N -1.08 -1.01 -1.94 0.00 3.38 -1.70 0.15 115.31 113.11 1jj2 h LEU 88 Ca -0.05 0.20 0.21 0.00 0.09 0.00 0.00 57.88 58.33 1jj2 h LEU 88 Cb 0.45 0.51 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 1jj2 h LEU 88 CO 0.08 -0.29 0.60 -0.65 0.09 0.00 0.00 178.44 178.27 1jj2 h PRO 89 N -0.17 0.00 -0.28 1.13 0.11 -1.77 0.48 132.00 131.50 1jj2 h PRO 89 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 1jj2 h PRO 89 Cb 0.53 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.64 1jj2 h PRO 89 CO -0.61 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.46 1jj2 n LEU 90 N -3.99 1.53 -4.26 2.35 4.77 0.52 -4.83 117.00 113.10 1jj2 n LEU 90 Ca 0.14 -0.76 -0.19 0.00 -0.03 0.00 0.00 56.01 55.18 1jj2 n LEU 90 Cb 0.86 -0.19 -0.11 0.00 -2.33 0.00 0.00 43.42 41.65 1jj2 n LEU 90 CO 0.34 0.38 -0.46 0.00 -1.33 0.00 0.00 177.39 176.31 1jj2 s ALA 91 N -1.63 1.61 -0.00 -1.18 0.00 0.17 -4.99 121.76 115.73 1jj2 s ALA 91 Ca 0.20 -1.32 -0.03 0.00 0.00 0.00 0.00 51.96 50.81 1jj2 s ALA 91 Cb 0.10 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 1jj2 s ALA 91 CO 0.14 0.15 -0.07 0.39 0.00 0.00 0.00 175.76 176.37 1jj2 n GLU 92 N 0.55 0.11 -0.47 0.00 1.02 -1.26 -4.95 120.64 115.64 1jj2 n GLU 92 Ca -0.15 0.04 -0.17 0.00 -0.02 0.00 0.00 57.16 56.86 1jj2 n GLU 92 Cb 0.57 -0.68 0.02 0.00 -0.02 0.00 0.00 31.44 31.32 1jj2 n GLU 92 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1jj2 n LEU 93 N -3.47 -2.44 0.00 -4.62 4.77 -1.26 -4.89 117.00 105.10 1jj2 n LEU 93 Ca -0.06 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1jj2 n LEU 93 Cb 0.32 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1jj2 n LEU 93 CO 0.02 -2.37 0.00 0.00 -1.33 0.00 0.00 177.39 173.72 1jj2 n ALA 94 N -1.32 0.00 -1.18 -1.18 0.00 -1.25 -4.84 120.51 110.75 1jj2 n ALA 94 Ca -0.01 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.46 1jj2 n ALA 94 Cb 0.29 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.72 1jj2 n ALA 94 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1jj2 n THR 95 N -0.02 -1.08 0.00 0.00 -2.24 -1.26 -4.21 114.28 105.47 1jj2 n THR 95 Ca 0.00 0.63 0.00 0.00 -2.27 0.00 0.00 64.05 62.41 1jj2 n THR 95 Cb 0.00 -1.02 0.00 0.00 -2.10 0.00 0.00 70.33 67.21 1jj2 n THR 95 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1jj2 n SER 96 N -2.83 0.00 -0.50 3.42 3.41 -1.26 -4.15 113.62 111.71 1jj2 n SER 96 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 1jj2 n SER 96 Cb 0.28 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.25 1jj2 n SER 96 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1jj2 n GLN 97 N 0.00 1.22 -4.16 4.33 7.27 -1.26 -4.82 117.38 119.96 1jj2 n GLN 97 Ca 0.00 -0.19 -0.29 0.00 0.07 0.00 0.00 57.00 56.59 1jj2 n GLN 97 Cb 0.00 -1.46 -0.08 0.00 2.41 0.00 0.00 30.24 31.11 1jj2 n GLN 97 CO 0.00 0.00 0.00 -0.06 0.07 0.00 0.00 177.06 177.07 1jj2 s PHE 98 N -1.26 2.91 1.00 3.69 0.40 -1.26 -4.09 117.98 119.38 1jj2 s PHE 98 Ca 0.03 -0.08 -0.12 0.00 -0.60 0.00 0.00 56.93 56.16 1jj2 s PHE 98 Cb 0.02 -1.48 0.19 0.00 0.51 0.00 0.00 43.02 42.27 1jj2 s PHE 98 CO 0.01 0.48 1.09 0.34 0.70 0.00 0.00 175.22 177.84 1jj2 s ASP 99 N -2.49 2.61 0.00 1.36 2.15 0.74 -4.89 116.67 116.15 1jj2 s ASP 99 Ca 0.26 1.21 0.26 0.00 0.43 0.00 0.00 52.55 54.70 1jj2 s ASP 99 Cb -0.11 -1.87 0.67 0.00 -0.30 0.00 0.00 42.92 41.31 1jj2 s ASP 99 CO 0.18 -3.14 1.52 0.47 -0.17 0.00 0.00 175.17 174.02 1jj2 n ASP 100 N -4.18 0.65 -0.65 -0.34 9.92 -1.26 -3.24 116.55 117.44 1jj2 n ASP 100 Ca 0.05 -0.45 0.06 0.00 -0.53 0.00 0.00 54.79 53.93 1jj2 n ASP 100 Cb 0.57 0.16 0.14 0.00 -0.64 0.00 0.00 41.12 41.34 1jj2 n ASP 100 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 1jj2 n THR 101 N -1.19 0.72 -1.41 -3.53 -1.04 -1.26 -4.32 114.28 102.26 1jj2 n THR 101 Ca 0.08 -0.86 0.00 0.00 -2.04 0.00 0.00 64.05 61.24 1jj2 n THR 101 Cb 0.34 0.72 0.00 0.00 -1.82 0.00 0.00 70.33 69.56 1jj2 n THR 101 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1jj2 n GLY 102 N 0.64 0.92 3.82 3.41 0.00 -1.09 -4.15 105.19 108.74 1jj2 n GLY 102 Ca 0.11 -0.57 -0.26 0.00 0.00 0.00 0.00 46.02 45.30 1jj2 n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jj2 s ASN 103 N -2.67 4.50 -0.27 1.61 0.02 -1.26 -4.10 114.94 112.77 1jj2 s ASN 103 Ca 0.00 -1.22 -0.26 0.00 -1.02 0.00 0.00 52.86 50.36 1jj2 s ASN 103 Cb 0.00 0.04 0.14 0.00 0.02 0.00 0.00 41.25 41.45 1jj2 s ASN 103 CO 0.00 -0.83 1.12 0.72 0.02 0.00 0.00 177.10 178.13 1jj2 s PHE 104 N -2.71 -0.36 -0.05 2.20 -0.12 -1.19 0.26 117.98 116.01 1jj2 s PHE 104 Ca 0.33 0.84 0.04 0.00 -0.05 0.00 0.00 56.93 58.09 1jj2 s PHE 104 Cb 0.01 0.40 -0.00 0.00 -0.63 0.00 0.00 43.02 42.80 1jj2 s PHE 104 CO 0.19 -0.20 -0.19 0.45 -0.05 0.00 0.00 175.22 175.42 1jj2 s SER 105 N -0.04 2.42 0.16 1.98 0.15 -1.26 -1.65 113.70 115.45 1jj2 s SER 105 Ca 0.04 -0.40 0.01 0.00 0.70 0.00 0.00 55.95 56.29 1jj2 s SER 105 Cb -0.04 -0.76 -0.04 0.00 -1.71 0.00 0.00 66.02 63.46 1jj2 s SER 105 CO -0.07 0.16 0.03 0.72 1.20 0.00 0.00 173.24 175.28 1jj2 s PHE 106 N 0.09 1.07 0.00 3.44 -0.71 -0.88 -4.98 117.98 116.01 1jj2 s PHE 106 Ca -0.07 -1.11 0.00 0.00 -1.04 0.00 0.00 56.93 54.71 1jj2 s PHE 106 Cb -0.13 -0.61 0.00 0.00 -1.21 0.00 0.00 43.02 41.07 1jj2 s PHE 106 CO 0.03 -0.34 0.00 0.41 -1.34 0.00 0.00 175.22 173.98 1jj2 n GLY 107 N -0.18 0.33 0.02 1.99 0.00 -1.26 -1.51 105.19 104.58 1jj2 n GLY 107 Ca -0.06 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.11 1jj2 n GLY 107 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1jj2 n LEU 128 N 0.00 0.00 -4.87 0.99 0.00 -1.26 -4.92 117.00 106.93 1jj2 n LEU 128 Ca 0.00 0.02 -0.31 0.00 0.00 0.00 0.00 56.01 55.72 1jj2 n LEU 128 Cb 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 43.42 43.35 1jj2 n LEU 128 CO 0.00 -0.01 -0.19 -1.81 0.00 0.00 0.00 177.39 175.39 1jj2 s ASP 129 N -0.00 6.11 -0.23 1.96 1.01 -0.78 -5.00 116.67 119.74 1jj2 s ASP 129 Ca 0.00 0.19 -0.04 0.00 0.71 0.00 0.00 52.55 53.41 1jj2 s ASP 129 Cb 0.00 -1.82 0.08 0.00 1.01 0.00 0.00 42.92 42.19 1jj2 s ASP 129 CO 0.00 0.18 0.13 -0.69 0.21 0.00 0.00 175.17 175.00 1jj2 s VAL 130 N -1.45 -0.11 -0.02 -1.27 1.01 -0.57 -2.08 120.40 115.91 1jj2 s VAL 130 Ca 0.32 -0.45 -0.02 0.00 0.00 0.00 0.00 61.98 61.84 1jj2 s VAL 130 Cb -0.13 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 1jj2 s VAL 130 CO 0.25 -0.49 0.14 -0.89 0.00 0.00 0.00 175.10 174.11 1jj2 s THR 131 N 2.14 5.17 -0.21 3.92 2.01 -0.56 -2.07 115.64 126.03 1jj2 s THR 131 Ca 0.06 -0.22 0.01 0.00 0.31 0.00 0.00 61.69 61.85 1jj2 s THR 131 Cb -0.16 -3.39 0.05 0.00 0.01 0.00 0.00 72.50 69.01 1jj2 s THR 131 CO -0.23 0.36 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.27 1jj2 s VAL 132 N -1.25 1.72 -0.25 3.82 1.01 -0.66 -1.16 120.40 123.64 1jj2 s VAL 132 Ca 0.25 -1.15 -0.17 0.00 0.00 0.00 0.00 61.98 60.91 1jj2 s VAL 132 Cb -0.12 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 1jj2 s VAL 132 CO 0.16 0.10 0.49 0.21 0.00 0.00 0.00 175.10 176.05 1jj2 s ASN 133 N 1.34 6.43 0.01 3.32 3.04 -1.03 -3.16 114.94 124.89 1jj2 s ASN 133 Ca -0.03 0.52 0.06 0.00 0.04 0.00 0.00 52.86 53.44 1jj2 s ASN 133 Cb -0.17 -2.27 -0.03 0.00 -1.54 0.00 0.00 41.25 37.24 1jj2 s ASN 133 CO -0.07 -0.24 -0.16 -0.76 -3.04 0.00 0.00 177.10 172.83 1jj2 s LEU 134 N 2.07 2.67 0.26 3.21 1.43 -1.26 -1.24 118.68 125.83 1jj2 s LEU 134 Ca 0.21 -0.33 -0.21 0.00 -1.03 0.00 0.00 54.13 52.77 1jj2 s LEU 134 Cb -0.16 -1.55 0.06 0.00 0.03 0.00 0.00 46.19 44.57 1jj2 s LEU 134 CO 0.09 0.29 0.89 0.54 0.23 0.00 0.00 176.35 178.39 1jj2 s VAL 135 N -0.86 0.00 0.13 -1.59 0.11 -1.11 -4.80 120.40 112.28 1jj2 s VAL 135 Ca 0.14 -0.80 0.05 0.00 -2.93 0.00 0.00 61.98 58.43 1jj2 s VAL 135 Cb -0.11 -2.53 -0.04 0.00 -1.53 0.00 0.00 36.38 32.17 1jj2 s VAL 135 CO 0.04 0.00 0.08 0.00 -3.33 0.00 0.00 175.10 171.89 1jj2 s ARG 136 N -2.76 2.76 0.00 1.54 1.70 -1.26 -1.94 118.95 118.99 1jj2 s ARG 136 Ca 0.16 -0.85 0.00 0.00 -0.47 0.00 0.00 55.73 54.57 1jj2 s ARG 136 Cb -0.04 -2.61 0.00 0.00 -0.57 0.00 0.00 34.95 31.73 1jj2 s ARG 136 CO 0.07 0.51 0.00 -2.30 -1.08 0.00 0.00 175.30 172.50 1jj2 n PRO 137 N 0.06 0.00 -1.12 3.89 -0.02 -1.26 -2.51 135.00 134.04 1jj2 n PRO 137 Ca -0.09 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.13 1jj2 n PRO 137 Cb 0.53 0.00 0.08 0.00 -0.02 0.00 0.00 33.50 34.09 1jj2 n PRO 137 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jj2 n GLY 138 N -0.85 4.93 0.16 -1.23 0.00 -1.26 -4.55 105.19 102.38 1jj2 n GLY 138 Ca 0.00 -1.63 -0.07 0.00 0.00 0.00 0.00 46.02 44.32 1jj2 n GLY 138 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1jj2 h TYR 139 N 1.58 0.37 -1.14 1.61 3.20 -1.90 -3.19 116.97 117.50 1jj2 h TYR 139 Ca 0.49 -0.16 0.33 0.00 3.14 0.00 0.00 58.73 62.52 1jj2 h TYR 139 Cb 1.19 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 39.35 1jj2 h TYR 139 CO 1.20 0.89 0.81 -0.09 -1.64 0.00 0.00 178.16 179.34 1jj2 h ARG 140 N 0.18 0.04 -0.44 1.82 2.43 -1.90 0.81 114.38 117.33 1jj2 h ARG 140 Ca -0.02 -0.00 0.13 0.00 -0.81 0.00 0.00 59.98 59.27 1jj2 h ARG 140 Cb 1.27 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.80 1jj2 h ARG 140 CO 0.11 0.03 0.44 0.28 -1.51 0.00 0.00 179.97 179.32 1jj2 h VAL 141 N 0.04 0.43 -0.04 0.20 2.07 -1.88 0.61 116.25 117.68 1jj2 h VAL 141 Ca 0.55 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.07 1jj2 h VAL 141 Cb 2.12 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 1jj2 h VAL 141 CO -0.04 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.55 1jj2 n ALA 142 N -2.39 2.47 0.18 1.67 0.00 0.28 0.06 120.51 122.77 1jj2 n ALA 142 Ca 0.08 -0.64 0.02 0.00 0.00 0.00 0.00 53.44 52.90 1jj2 n ALA 142 Cb 0.62 -0.53 -0.01 0.00 0.00 0.00 0.00 19.45 19.54 1jj2 n ALA 142 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jj2 n LYS 143 N 0.87 3.16 -2.35 0.00 4.76 0.08 -4.76 118.16 119.92 1jj2 n LYS 143 Ca 0.09 -0.32 -0.24 0.00 -2.87 0.00 0.00 58.31 54.97 1jj2 n LYS 143 Cb 0.39 -0.85 0.07 0.00 -1.84 0.00 0.00 35.03 32.80 1jj2 n LYS 143 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 1jj2 s ARG 144 N -0.95 2.18 -0.13 1.97 1.70 -0.45 -5.05 118.95 118.22 1jj2 s ARG 144 Ca 0.03 -0.49 -0.15 0.00 -0.47 0.00 0.00 55.73 54.65 1jj2 s ARG 144 Cb 0.03 -2.26 -0.13 0.00 -0.57 0.00 0.00 34.95 32.02 1jj2 s ARG 144 CO 0.12 -1.16 0.35 -0.44 -1.08 0.00 0.00 175.30 173.09 1jj2 h ASP 145 N -0.45 0.00 -3.76 -2.89 3.45 -1.95 -3.40 116.42 107.42 1jj2 h ASP 145 Ca -0.43 -0.48 -0.50 0.00 0.43 0.00 0.00 57.03 56.05 1jj2 h ASP 145 Cb 1.30 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.07 1jj2 h ASP 145 CO 0.55 0.80 0.42 -0.54 -1.57 0.00 0.00 179.24 178.90 1jj2 s LYS 146 N -1.94 4.72 -0.51 3.56 1.02 -1.26 -3.91 119.74 121.42 1jj2 s LYS 146 Ca -0.11 1.67 -0.06 0.00 0.02 0.00 0.00 55.97 57.49 1jj2 s LYS 146 Cb -0.01 -3.24 0.06 0.00 -0.52 0.00 0.00 37.83 34.13 1jj2 s LYS 146 CO 0.36 0.32 0.16 0.00 -0.92 0.00 0.00 175.35 175.27 1jj2 n ALA 147 N 1.45 -1.05 -0.67 5.17 0.00 -1.26 -4.87 120.51 119.28 1jj2 n ALA 147 Ca -0.01 -0.05 -0.31 0.00 0.00 0.00 0.00 53.44 53.07 1jj2 n ALA 147 Cb 0.46 -1.06 0.18 0.00 0.00 0.00 0.00 19.45 19.02 1jj2 n ALA 147 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1jj2 n SER 148 N -1.76 -1.75 -3.52 0.00 3.41 -1.25 -5.00 113.62 103.75 1jj2 n SER 148 Ca 0.03 0.09 -0.16 0.00 -0.26 0.00 0.00 58.87 58.57 1jj2 n SER 148 Cb 0.49 -1.17 -0.05 0.00 -0.26 0.00 0.00 64.21 63.21 1jj2 n SER 148 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1jj2 s ARG 149 N -3.88 0.99 0.06 4.33 6.06 0.11 -4.98 118.95 121.64 1jj2 s ARG 149 Ca 0.61 0.15 -0.30 0.00 -2.50 0.00 0.00 55.73 53.68 1jj2 s ARG 149 Cb -0.19 0.47 -0.05 0.00 0.06 0.00 0.00 34.95 35.24 1jj2 s ARG 149 CO 0.65 -0.33 0.98 0.45 -2.50 0.00 0.00 175.30 174.55 1jj2 s SER 150 N -1.38 7.43 0.07 -2.12 0.15 -1.26 -3.15 113.70 113.45 1jj2 s SER 150 Ca -0.08 1.74 -0.31 0.00 0.70 0.00 0.00 55.95 58.01 1jj2 s SER 150 Cb -0.00 -2.58 -0.09 0.00 -1.71 0.00 0.00 66.02 61.64 1jj2 s SER 150 CO 0.06 -0.16 1.78 -0.63 1.20 0.00 0.00 173.24 175.48 1jj2 s ILE 151 N 0.45 2.89 0.46 6.45 -1.09 -1.26 -4.94 121.20 124.16 1jj2 s ILE 151 Ca 0.49 0.26 -0.23 0.00 -2.23 0.00 0.00 60.65 58.94 1jj2 s ILE 151 Cb -0.22 -3.16 -0.09 0.00 -1.58 0.00 0.00 42.46 37.40 1jj2 s ILE 151 CO 0.29 -0.01 0.95 -2.65 -1.23 0.00 0.00 174.94 172.29 1jj2 n PRO 152 N 6.14 1.19 -0.33 2.79 -0.02 -1.26 -4.80 135.00 138.71 1jj2 n PRO 152 Ca 0.17 0.43 0.07 0.00 -2.02 0.00 0.00 63.50 62.15 1jj2 n PRO 152 Cb 0.40 -2.02 0.22 0.00 -0.02 0.00 0.00 33.50 32.08 1jj2 n PRO 152 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1jj2 h THR 153 N 1.24 0.86 -0.67 3.45 1.35 -1.96 -1.76 112.91 115.41 1jj2 h THR 153 Ca -0.45 -0.29 0.01 0.00 -0.55 0.00 0.00 66.41 65.13 1jj2 h THR 153 Cb 1.35 -0.06 -0.03 0.00 -1.73 0.00 0.00 68.15 67.68 1jj2 h THR 153 CO 0.55 0.15 0.44 0.11 -0.25 0.00 0.00 175.52 176.52 1jj2 h LYS 154 N 0.84 0.89 -0.01 4.72 6.56 -2.03 -1.46 116.57 126.08 1jj2 h LYS 154 Ca 0.47 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 60.00 1jj2 h LYS 154 Cb 0.53 -0.20 0.00 0.00 -0.57 0.00 0.00 32.23 31.99 1jj2 h LYS 154 CO -0.29 0.59 0.00 1.58 -2.06 0.00 0.00 179.45 179.27 1jj2 n HIS 155 N -4.61 0.01 -1.75 -1.35 -0.00 -0.72 -4.83 115.22 101.96 1jj2 n HIS 155 Ca 0.06 -0.00 -0.30 0.00 0.46 0.00 0.00 57.72 57.93 1jj2 n HIS 155 Cb 0.02 0.00 0.07 0.00 -0.12 0.00 0.00 29.99 29.96 1jj2 n HIS 155 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1jj2 s ARG 156 N -1.99 2.41 -0.24 1.57 1.81 -0.55 -4.74 118.95 117.22 1jj2 s ARG 156 Ca 0.34 0.48 -0.11 0.00 -1.72 0.00 0.00 55.73 54.72 1jj2 s ARG 156 Cb 0.16 -1.97 -0.05 0.00 -0.45 0.00 0.00 34.95 32.64 1jj2 s ARG 156 CO 0.27 -1.36 0.19 -1.17 -0.68 0.00 0.00 175.30 172.55 1jj2 s LEU 157 N -5.56 4.12 0.51 2.53 2.96 -1.26 -5.02 118.68 116.95 1jj2 s LEU 157 Ca 0.60 0.16 -0.07 0.00 -0.22 0.00 0.00 54.13 54.59 1jj2 s LEU 157 Cb -0.12 -2.16 -0.04 0.00 0.50 0.00 0.00 46.19 44.36 1jj2 s LEU 157 CO 0.52 0.04 0.85 0.20 -1.32 0.00 0.00 176.35 176.64 1jj2 s ASN 158 N 1.09 6.28 0.21 3.68 -0.87 -1.26 -2.68 114.94 121.40 1jj2 s ASN 158 Ca 0.09 1.08 -0.09 0.00 -1.57 0.00 0.00 52.86 52.37 1jj2 s ASN 158 Cb -0.14 -2.32 0.28 0.00 -0.02 0.00 0.00 41.25 39.05 1jj2 s ASN 158 CO 0.05 -0.64 1.75 -0.65 -2.57 0.00 0.00 177.10 175.04 1jj2 h PRO 159 N 0.19 0.42 0.84 -0.60 0.11 -1.75 -1.91 132.00 129.30 1jj2 h PRO 159 Ca -0.46 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 1jj2 h PRO 159 Cb 1.20 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 32.22 1jj2 h PRO 159 CO 0.62 0.27 -0.40 0.00 -0.21 0.00 0.00 178.00 178.28 1jj2 h ALA 160 N 1.41 -1.13 0.00 -0.75 0.00 -1.93 -1.34 119.26 115.52 1jj2 h ALA 160 Ca 0.31 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1jj2 h ALA 160 Cb 0.37 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1jj2 h ALA 160 CO -0.30 -1.09 0.29 -0.44 0.00 0.00 0.00 179.25 177.71 1jj2 h ASP 161 N -1.21 0.00 0.00 0.00 3.32 -1.90 -0.26 116.42 116.36 1jj2 h ASP 161 Ca -0.11 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.85 1jj2 h ASP 161 Cb 0.87 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.41 1jj2 h ASP 161 CO 0.19 0.00 -0.55 0.00 -1.72 0.00 0.00 179.24 177.16 1jj2 h ALA 162 N 1.30 0.10 -0.78 3.45 0.00 -0.84 -3.25 119.26 119.24 1jj2 h ALA 162 Ca 0.00 -0.69 0.18 0.00 0.00 0.00 0.00 54.91 54.39 1jj2 h ALA 162 Cb 0.57 0.36 -0.11 0.00 0.00 0.00 0.00 17.79 18.61 1jj2 h ALA 162 CO 0.00 0.34 0.22 0.28 0.00 0.00 0.00 179.25 180.09 1jj2 h VAL 163 N -1.00 0.49 0.49 0.00 2.07 0.06 -1.86 116.25 116.51 1jj2 h VAL 163 Ca -0.13 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 1jj2 h VAL 163 Cb 0.89 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 1jj2 h VAL 163 CO -0.08 0.05 -0.50 0.00 0.02 0.00 0.00 177.57 177.06 1jj2 h ALA 164 N 1.64 -1.15 -0.30 1.67 0.00 -1.55 0.35 119.26 119.92 1jj2 h ALA 164 Ca 0.45 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.23 1jj2 h ALA 164 Cb 0.80 0.74 -0.08 0.00 0.00 0.00 0.00 17.79 19.24 1jj2 h ALA 164 CO -0.53 -1.18 -0.48 0.35 0.00 0.00 0.00 179.25 177.41 1jj2 h PHE 165 N -1.00 -1.41 0.34 0.00 3.57 -1.39 0.16 116.94 117.21 1jj2 h PHE 165 Ca -0.06 0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 1jj2 h PHE 165 Cb 0.87 0.66 0.00 0.00 2.79 0.00 0.00 35.95 40.27 1jj2 h PHE 165 CO -0.26 -0.48 -0.17 0.82 -2.23 0.00 0.00 178.31 176.00 1jj2 h ILE 166 N -0.42 0.65 -1.02 1.41 2.04 -1.37 -2.70 117.51 116.09 1jj2 h ILE 166 Ca 0.09 -0.46 0.27 0.00 1.00 0.00 0.00 64.86 65.76 1jj2 h ILE 166 Cb 0.62 0.88 -0.07 0.00 -0.74 0.00 0.00 36.82 37.51 1jj2 h ILE 166 CO -0.52 0.09 0.69 -0.08 0.00 0.00 0.00 178.15 178.33 1jj2 h GLU 167 N -0.73 0.22 -1.33 2.37 4.81 -0.17 1.47 114.58 121.22 1jj2 h GLU 167 Ca -0.05 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 1jj2 h GLU 167 Cb 0.50 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 1jj2 h GLU 167 CO 0.08 0.15 0.04 0.45 -0.73 0.00 0.00 179.01 179.00 1jj2 n SER 168 N -4.44 3.90 -2.85 1.04 2.88 0.54 -3.95 113.62 110.74 1jj2 n SER 168 Ca 0.23 -2.23 -0.11 0.00 -1.33 0.00 0.00 58.87 55.42 1jj2 n SER 168 Cb 0.95 -0.73 0.04 0.00 -0.75 0.00 0.00 64.21 63.72 1jj2 n SER 168 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1jj2 n THR 169 N 0.74 -0.10 -2.29 2.46 -1.04 0.50 -4.97 114.28 109.58 1jj2 n THR 169 Ca 0.04 -2.17 -0.02 0.00 -2.04 0.00 0.00 64.05 59.85 1jj2 n THR 169 Cb 0.55 0.88 0.01 0.00 -1.82 0.00 0.00 70.33 69.95 1jj2 n THR 169 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1jj2 n TYR 170 N 0.94 -0.25 -3.28 -1.42 4.02 -1.26 -5.00 117.16 110.91 1jj2 n TYR 170 Ca 0.11 0.10 0.00 0.00 -0.01 0.00 0.00 57.90 58.10 1jj2 n TYR 170 Cb 0.65 -2.06 0.00 0.00 -0.02 0.00 0.00 39.34 37.91 1jj2 n TYR 170 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1jj2 n ASP 171 N -0.56 0.00 -3.95 7.72 5.68 -1.25 -4.92 116.55 119.27 1jj2 n ASP 171 Ca -0.02 0.00 -0.10 0.00 -0.50 0.00 0.00 54.79 54.17 1jj2 n ASP 171 Cb 0.51 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 40.39 1jj2 n ASP 171 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1jj2 s VAL 172 N -3.02 0.12 0.00 2.12 1.01 -1.26 -4.78 120.40 114.58 1jj2 s VAL 172 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.03 1jj2 s VAL 172 Cb 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.85 1jj2 s VAL 172 CO 0.00 -0.53 0.00 -1.84 0.00 0.00 0.00 175.10 172.73 1jj2 n GLU 173 N 1.28 0.35 0.00 2.72 0.28 -1.26 -4.95 120.64 119.05 1jj2 n GLU 173 Ca -0.22 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.78 1jj2 n GLU 173 Cb 0.56 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.43 1jj2 n GLU 173 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25