#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2joz s ILE 2 N 0.00 1.27 -0.24 3.17 1.09 -1.26 -5.11 121.20 120.13 2joz s ILE 2 Ca 0.00 -0.56 -0.12 0.00 -1.10 0.00 0.00 60.65 58.88 2joz s ILE 2 Cb 0.00 -1.30 -0.05 0.00 -1.06 0.00 0.00 42.46 40.05 2joz s ILE 2 CO 0.00 0.31 0.22 -0.04 -0.10 0.00 0.00 174.94 175.32 2joz s MET 3 N 1.59 4.08 0.00 2.79 -1.94 -1.26 -5.02 119.30 119.55 2joz s MET 3 Ca 0.03 -0.17 0.00 0.00 -1.71 0.00 0.00 55.69 53.84 2joz s MET 3 Cb -0.14 -3.55 0.00 0.00 2.01 0.00 0.00 34.83 33.15 2joz s MET 3 CO -0.09 0.02 0.00 0.28 -0.01 0.00 0.00 175.02 175.22 2joz n VAL 4 N 4.37 0.00 -3.69 -6.03 0.31 -1.26 -4.93 118.33 107.09 2joz n VAL 4 Ca -0.13 0.40 -0.26 0.00 -0.01 0.00 0.00 64.34 64.33 2joz n VAL 4 Cb 0.52 -1.24 -0.17 0.00 -0.91 0.00 0.00 33.84 32.04 2joz n VAL 4 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2joz s SER 5 N -2.78 2.48 -1.32 4.52 1.04 -1.26 -5.05 113.70 111.32 2joz s SER 5 Ca 0.00 -0.62 -0.15 0.00 0.48 0.00 0.00 55.95 55.66 2joz s SER 5 Cb 0.00 -0.43 0.09 0.00 0.10 0.00 0.00 66.02 65.78 2joz s SER 5 CO 0.00 -0.31 1.83 0.61 0.98 0.00 0.00 173.24 176.35 2joz n GLY 6 N 5.15 3.52 3.57 7.32 0.00 -1.26 -4.94 105.19 118.54 2joz n GLY 6 Ca -0.08 -1.69 -0.41 0.00 0.00 0.00 0.00 46.02 43.84 2joz n GLY 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2joz s GLN 8 N 5.70 3.27 -0.32 0.00 2.00 -1.23 -4.93 119.66 124.15 2joz s GLN 8 Ca 0.48 -0.50 -0.12 0.00 -2.00 0.00 0.00 55.36 53.22 2joz s GLN 8 Cb -0.10 -2.80 -0.02 0.00 0.80 0.00 0.00 33.01 30.90 2joz s GLN 8 CO 0.22 0.46 0.21 1.14 -0.50 0.00 0.00 175.29 176.81 2joz s GLN 9 N -0.23 3.51 0.00 1.67 -2.07 -1.26 -2.41 119.66 118.87 2joz s GLN 9 Ca 0.04 -0.62 0.00 0.00 -1.82 0.00 0.00 55.36 52.96 2joz s GLN 9 Cb -0.13 -3.72 0.00 0.00 -1.09 0.00 0.00 33.01 28.08 2joz s GLN 9 CO 0.02 -0.40 0.00 1.04 -1.32 0.00 0.00 175.29 174.64 2joz n GLN 10 N 5.06 0.00 -3.60 9.60 1.13 -1.26 -5.04 117.38 123.27 2joz n GLN 10 Ca -0.13 0.00 -0.05 0.00 -1.94 0.00 0.00 57.00 54.88 2joz n GLN 10 Cb 0.50 -0.05 -0.02 0.00 0.11 0.00 0.00 30.24 30.79 2joz n GLN 10 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 2joz s LYS 11 N -0.53 0.76 -0.11 -1.09 2.20 -1.26 -5.12 119.74 114.59 2joz s LYS 11 Ca 0.00 -0.34 -0.29 0.00 -0.36 0.00 0.00 55.97 54.98 2joz s LYS 11 Cb 0.00 0.31 -0.07 0.00 -1.51 0.00 0.00 37.83 36.56 2joz s LYS 11 CO 0.00 -0.34 2.06 -2.00 -0.36 0.00 0.00 175.35 174.71 2joz s GLU 12 N -2.93 3.62 0.37 4.03 2.12 -1.26 -4.96 118.70 119.69 2joz s GLU 12 Ca 0.09 2.26 0.08 0.00 0.36 0.00 0.00 54.97 57.75 2joz s GLU 12 Cb -0.00 -4.26 -0.02 0.00 0.26 0.00 0.00 34.13 30.11 2joz s GLU 12 CO -0.05 -1.54 0.34 -2.00 -0.54 0.00 0.00 175.26 171.47 2joz s GLU 13 N 5.40 2.68 -0.08 4.30 2.56 -1.26 -5.04 118.70 127.26 2joz s GLU 13 Ca 0.93 -1.36 -0.34 0.00 0.00 0.00 0.00 54.97 54.20 2joz s GLU 13 Cb -0.37 -2.47 -0.12 0.00 2.00 0.00 0.00 34.13 33.17 2joz s GLU 13 CO 0.38 -0.02 1.87 -2.37 -0.56 0.00 0.00 175.26 174.55 2joz n THR 14 N -1.47 0.55 -1.71 -1.70 5.66 -1.26 -4.84 114.28 109.50 2joz n THR 14 Ca 0.01 -0.10 -0.39 0.00 -3.05 0.00 0.00 64.05 60.52 2joz n THR 14 Cb 0.60 -1.85 -0.03 0.00 -1.55 0.00 0.00 70.33 67.50 2joz n THR 14 CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 175.07 169.18 2joz s PRO 15 N 3.91 2.62 0.05 1.09 0.02 -1.26 -4.83 135.00 136.60 2joz s PRO 15 Ca 0.92 1.43 0.17 0.00 0.02 0.00 0.00 61.00 63.54 2joz s PRO 15 Cb -0.70 -4.45 0.73 0.00 0.02 0.00 0.00 34.50 30.11 2joz s PRO 15 CO 0.51 -2.70 1.55 1.97 -0.33 0.00 0.00 177.00 178.00 2joz n PHE 16 N 13.55 0.17 1.18 6.54 -1.74 -1.26 -2.84 117.46 133.05 2joz n PHE 16 Ca 0.30 0.07 0.13 0.00 -0.56 0.00 0.00 57.45 57.39 2joz n PHE 16 Cb 0.51 -0.61 0.36 0.00 1.52 0.00 0.00 39.48 41.26 2joz n PHE 16 CO 0.00 0.00 0.00 2.48 -0.56 0.00 0.00 176.76 178.68 2joz n TYR 17 N -1.66 0.00 -2.33 2.97 4.11 -1.26 -4.89 117.16 114.10 2joz n TYR 17 Ca 0.03 0.00 -0.41 0.00 -0.00 0.00 0.00 57.90 57.53 2joz n TYR 17 Cb 0.20 -0.17 -0.03 0.00 -0.00 0.00 0.00 39.34 39.33 2joz n TYR 17 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.86 177.57 2joz s TYR 18 N -2.66 3.36 -1.86 -3.48 2.02 -1.13 -4.54 117.35 109.07 2joz s TYR 18 Ca 0.20 1.54 0.00 0.00 -0.37 0.00 0.00 57.07 58.44 2joz s TYR 18 Cb 0.19 -3.46 0.00 0.00 -0.40 0.00 0.00 41.96 38.29 2joz s TYR 18 CO 0.57 -1.15 0.00 0.41 -1.57 0.00 0.00 175.55 173.81 2joz n GLY 19 N 1.27 0.64 3.26 0.71 0.00 -1.26 -4.97 105.19 104.84 2joz n GLY 19 Ca 0.00 -2.15 -0.34 0.00 0.00 0.00 0.00 46.02 43.54 2joz n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2joz s THR 20 N -0.98 2.84 -0.09 2.61 2.01 -1.26 -2.11 115.64 118.66 2joz s THR 20 Ca 0.00 -0.69 0.03 0.00 0.31 0.00 0.00 61.69 61.34 2joz s THR 20 Cb 0.00 -2.24 -0.01 0.00 0.01 0.00 0.00 72.50 70.26 2joz s THR 20 CO 0.00 0.49 -0.18 0.26 -0.69 0.00 0.00 174.62 174.50 2joz s TRP 21 N 1.12 2.66 -0.13 4.92 0.52 0.12 -0.62 118.94 127.53 2joz s TRP 21 Ca 0.01 -0.60 -0.02 0.00 0.02 0.00 0.00 56.10 55.50 2joz s TRP 21 Cb -0.14 -1.72 -0.03 0.00 -1.15 0.00 0.00 33.47 30.43 2joz s TRP 21 CO -0.04 -0.15 -0.05 0.34 0.02 0.00 0.00 176.95 177.08 2joz s ASP 22 N -0.03 4.72 -0.06 2.95 2.15 0.45 -0.52 116.67 126.33 2joz s ASP 22 Ca -0.05 -0.11 -0.14 0.00 0.43 0.00 0.00 52.55 52.68 2joz s ASP 22 Cb -0.14 -1.63 -0.09 0.00 -0.30 0.00 0.00 42.92 40.75 2joz s ASP 22 CO 0.04 0.22 0.58 -0.33 -0.17 0.00 0.00 175.17 175.51 2joz h GLU 23 N 6.33 -0.32 -4.09 4.34 4.39 -1.82 0.10 114.58 123.52 2joz h GLU 23 Ca -0.35 0.02 -0.35 0.00 0.34 0.00 0.00 59.36 59.03 2joz h GLU 23 Cb 1.19 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.90 2joz h GLU 23 CO 0.60 -0.08 -0.48 0.41 -1.16 0.00 0.00 179.01 178.30 2joz n GLY 24 N 0.76 -0.50 3.70 -3.84 0.00 -1.26 -4.75 105.19 99.30 2joz n GLY 24 Ca -0.06 0.05 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 2joz n GLY 24 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2joz s ARG 25 N -5.37 1.61 0.36 1.61 3.52 -1.26 -5.12 118.95 114.31 2joz s ARG 25 Ca 0.14 -0.93 0.00 0.00 -0.13 0.00 0.00 55.73 54.81 2joz s ARG 25 Cb -0.07 0.57 0.00 0.00 -1.56 0.00 0.00 34.95 33.89 2joz s ARG 25 CO 0.17 -0.72 0.00 0.00 -0.81 0.00 0.00 175.30 173.95 2joz n ALA 26 N -0.42 -2.44 -2.24 6.12 0.00 -1.26 -4.80 120.51 115.47 2joz n ALA 26 Ca -0.07 0.53 -0.41 0.00 0.00 0.00 0.00 53.44 53.49 2joz n ALA 26 Cb 0.61 -0.98 -0.04 0.00 0.00 0.00 0.00 19.45 19.04 2joz n ALA 26 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2joz s PRO 27 N -3.30 4.65 0.00 0.00 0.02 -1.26 -4.96 135.00 130.15 2joz s PRO 27 Ca 0.00 1.53 0.00 0.00 0.02 0.00 0.00 61.00 62.55 2joz s PRO 27 Cb 0.00 -3.35 0.00 0.00 0.02 0.00 0.00 34.50 31.17 2joz s PRO 27 CO 0.00 0.14 0.00 0.41 -0.33 0.00 0.00 177.00 177.22 2joz n GLY 28 N 2.27 3.41 3.65 0.52 0.00 -1.26 -5.04 105.19 108.74 2joz n GLY 28 Ca 0.03 -2.12 -0.54 0.00 0.00 0.00 0.00 46.02 43.39 2joz n GLY 28 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2joz n PRO 29 N -0.37 1.23 0.00 1.61 -0.02 -1.26 -4.83 135.00 131.35 2joz n PRO 29 Ca 0.00 0.45 0.16 0.00 -2.02 0.00 0.00 63.50 62.08 2joz n PRO 29 Cb 0.00 -2.12 0.90 0.00 -0.02 0.00 0.00 33.50 32.26 2joz n PRO 29 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 2joz n THR 30 N 3.59 0.00 0.01 3.45 5.66 -1.26 -2.25 114.28 123.48 2joz n THR 30 Ca 0.22 -0.00 0.03 0.00 -3.05 0.00 0.00 64.05 61.25 2joz n THR 30 Cb 0.17 -0.49 0.40 0.00 -1.55 0.00 0.00 70.33 68.86 2joz n THR 30 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 2joz h ASP 31 N 0.02 0.45 0.00 1.09 3.32 -2.05 -3.44 116.42 115.80 2joz h ASP 31 Ca 0.00 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2joz h ASP 31 Cb 0.08 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.51 2joz h ASP 31 CO 0.00 0.39 0.00 0.61 -1.72 0.00 0.00 179.24 178.52 2joz n GLY 32 N -1.29 0.00 3.71 2.75 0.00 -1.18 -5.16 105.19 104.02 2joz n GLY 32 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 2joz n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2joz s VAL 33 N 0.00 4.53 -0.05 1.61 1.01 -0.96 -3.97 120.40 122.58 2joz s VAL 33 Ca 0.00 -0.16 0.13 0.00 0.00 0.00 0.00 61.98 61.95 2joz s VAL 33 Cb 0.00 -2.93 -0.16 0.00 0.00 0.00 0.00 36.38 33.29 2joz s VAL 33 CO 0.00 0.59 0.95 0.11 0.00 0.00 0.00 175.10 176.75 2joz h LYS 34 N 5.29 0.00 -1.27 2.72 1.57 -1.34 -3.43 116.57 120.11 2joz h LYS 34 Ca -0.50 0.00 0.34 0.00 -1.87 0.00 0.00 60.65 58.62 2joz h LYS 34 Cb 1.20 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.36 2joz h LYS 34 CO 0.56 0.54 0.90 -1.54 -0.57 0.00 0.00 179.45 179.34 2joz s SER 35 N -6.18 -0.05 0.04 0.86 1.04 -1.23 -4.82 113.70 103.35 2joz s SER 35 Ca -0.02 -0.06 0.08 0.00 0.48 0.00 0.00 55.95 56.43 2joz s SER 35 Cb 0.09 0.09 -0.03 0.00 0.10 0.00 0.00 66.02 66.27 2joz s SER 35 CO 0.81 -0.17 -0.22 0.00 0.98 0.00 0.00 173.24 174.64 2joz s ALA 36 N -2.25 1.88 -0.08 5.32 0.00 -1.26 -1.01 121.76 124.35 2joz s ALA 36 Ca 0.13 -1.09 0.04 0.00 0.00 0.00 0.00 51.96 51.04 2joz s ALA 36 Cb 0.04 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 2joz s ALA 36 CO -0.05 0.43 -0.21 0.95 0.00 0.00 0.00 175.76 176.89 2joz s THR 37 N -0.77 2.42 -0.08 0.00 -4.23 -0.26 -3.31 115.64 109.40 2joz s THR 37 Ca 0.09 -0.92 0.01 0.00 -1.18 0.00 0.00 61.69 59.69 2joz s THR 37 Cb -0.09 -1.93 -0.02 0.00 1.34 0.00 0.00 72.50 71.79 2joz s THR 37 CO 0.02 0.56 -0.12 0.54 -0.54 0.00 0.00 174.62 175.08 2joz s VAL 38 N -0.01 3.24 -0.08 2.29 0.11 0.32 -0.32 120.40 125.95 2joz s VAL 38 Ca -0.07 -0.63 0.04 0.00 -2.93 0.00 0.00 61.98 58.39 2joz s VAL 38 Cb -0.15 -2.32 0.00 0.00 -1.53 0.00 0.00 36.38 32.38 2joz s VAL 38 CO 0.05 0.57 -0.20 -0.89 -3.33 0.00 0.00 175.10 171.29 2joz s THR 39 N -0.35 1.74 -0.27 5.04 2.01 0.12 0.12 115.64 124.05 2joz s THR 39 Ca 0.04 -0.84 -0.11 0.00 0.31 0.00 0.00 61.69 61.09 2joz s THR 39 Cb -0.12 -1.52 -0.05 0.00 0.01 0.00 0.00 72.50 70.82 2joz s THR 39 CO 0.02 0.49 0.17 -0.36 -0.69 0.00 0.00 174.62 174.26 2joz s PHE 40 N 0.36 3.22 0.67 4.92 0.08 -0.89 -0.83 117.98 125.50 2joz s PHE 40 Ca -0.15 0.08 0.04 0.00 0.12 0.00 0.00 56.93 57.02 2joz s PHE 40 Cb -0.16 -2.35 0.12 0.00 -0.57 0.00 0.00 43.02 40.05 2joz s PHE 40 CO 0.06 -0.15 0.92 0.99 -0.10 0.00 0.00 175.22 176.94 2joz s THR 41 N 1.66 2.07 0.33 0.64 2.01 0.66 -4.00 115.64 119.01 2joz s THR 41 Ca 0.07 -0.78 0.09 0.00 0.31 0.00 0.00 61.69 61.37 2joz s THR 41 Cb -0.16 -2.29 0.32 0.00 0.01 0.00 0.00 72.50 70.39 2joz s THR 41 CO 0.10 0.00 1.80 -0.33 -0.69 0.00 0.00 174.62 175.49 2joz h GLU 42 N -0.25 0.67 0.00 4.92 5.08 -2.03 -3.26 114.58 119.70 2joz h GLU 42 Ca -0.32 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 2joz h GLU 42 Cb 1.27 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2joz h GLU 42 CO 0.39 0.44 -0.20 -0.40 -1.00 0.00 0.00 179.01 178.24 2joz n ASP 43 N -4.69 0.00 -4.14 1.42 5.75 -1.26 -5.12 116.55 108.51 2joz n ASP 43 Ca 0.22 -1.41 -0.18 0.00 -0.01 0.00 0.00 54.79 53.41 2joz n ASP 43 Cb 0.60 -0.08 -0.13 0.00 -1.03 0.00 0.00 41.12 40.48 2joz n ASP 43 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2joz s GLU 44 N 0.00 0.83 -0.29 0.11 2.02 -1.23 -2.62 118.70 117.52 2joz s GLU 44 Ca 0.00 -0.82 -0.10 0.00 0.02 0.00 0.00 54.97 54.07 2joz s GLU 44 Cb 0.00 -0.81 -0.03 0.00 0.10 0.00 0.00 34.13 33.38 2joz s GLU 44 CO 0.00 0.19 0.17 0.08 0.02 0.00 0.00 175.26 175.72 2joz s VAL 45 N -1.05 5.01 -0.20 2.63 1.01 0.19 -0.25 120.40 127.74 2joz s VAL 45 Ca -0.01 -0.05 -0.05 0.00 0.00 0.00 0.00 61.98 61.86 2joz s VAL 45 Cb -0.09 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 32.83 2joz s VAL 45 CO 0.02 0.19 0.01 -0.69 0.00 0.00 0.00 175.10 174.63 2joz s VAL 46 N 1.70 4.00 -0.06 2.92 1.01 -0.01 -1.66 120.40 128.31 2joz s VAL 46 Ca 0.06 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.79 2joz s VAL 46 Cb -0.16 -2.81 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 2joz s VAL 46 CO 0.09 0.42 -0.18 -0.70 0.00 0.00 0.00 175.10 174.73 2joz s GLU 47 N 1.03 2.58 -0.05 2.72 2.12 -1.26 0.11 118.70 125.95 2joz s GLU 47 Ca 0.02 -0.78 0.05 0.00 0.36 0.00 0.00 54.97 54.63 2joz s GLU 47 Cb -0.14 -2.31 -0.02 0.00 0.26 0.00 0.00 34.13 31.91 2joz s GLU 47 CO 0.02 0.50 -0.20 0.95 -0.54 0.00 0.00 175.26 175.99 2joz s THR 48 N -0.43 2.52 -0.22 -1.70 -4.23 0.57 -0.62 115.64 111.53 2joz s THR 48 Ca 0.05 -0.91 -0.12 0.00 -1.18 0.00 0.00 61.69 59.52 2joz s THR 48 Cb -0.12 -1.95 -0.05 0.00 1.34 0.00 0.00 72.50 71.73 2joz s THR 48 CO 0.02 0.58 0.24 -1.61 -0.54 0.00 0.00 174.62 173.31 2joz s GLU 49 N -0.48 4.11 -0.44 3.99 2.02 0.71 -1.10 118.70 127.52 2joz s GLU 49 Ca 0.06 -0.10 -0.22 0.00 0.02 0.00 0.00 54.97 54.73 2joz s GLU 49 Cb -0.12 -3.53 0.02 0.00 0.10 0.00 0.00 34.13 30.61 2joz s GLU 49 CO 0.01 0.04 0.71 0.08 0.02 0.00 0.00 175.26 176.12 2joz s VAL 50 N 1.11 4.74 -0.10 2.63 1.01 -0.18 -1.06 120.40 128.56 2joz s VAL 50 Ca 0.12 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.40 2joz s VAL 50 Cb -0.14 -4.25 -0.02 0.00 0.00 0.00 0.00 36.38 31.96 2joz s VAL 50 CO 0.05 -0.64 -0.10 -0.32 0.00 0.00 0.00 175.10 174.10 2joz s MET 51 N 3.04 3.05 -0.18 2.72 1.75 -0.41 -0.93 119.30 128.34 2joz s MET 51 Ca 0.26 -0.62 -0.29 0.00 -1.25 0.00 0.00 55.69 53.80 2joz s MET 51 Cb -0.13 -2.61 -0.05 0.00 2.84 0.00 0.00 34.83 34.88 2joz s MET 51 CO 0.20 0.45 1.95 -2.00 -0.65 0.00 0.00 175.02 174.97 2joz s GLU 52 N -0.24 3.54 0.00 4.11 2.12 -1.25 -1.46 118.70 125.52 2joz s GLU 52 Ca 0.02 1.97 0.00 0.00 0.36 0.00 0.00 54.97 57.32 2joz s GLU 52 Cb -0.13 -4.22 0.00 0.00 0.26 0.00 0.00 34.13 30.04 2joz s GLU 52 CO 0.03 -1.62 0.00 0.41 -0.54 0.00 0.00 175.26 173.53 2joz n GLY 53 N 5.18 2.94 0.04 -1.50 0.00 -1.26 -4.90 105.19 105.69 2joz n GLY 53 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 2joz n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2joz n ARG 54 N -2.00 0.00 -0.54 1.61 5.12 -0.53 -5.15 116.66 115.17 2joz n ARG 54 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2joz n ARG 54 Cb 0.00 -0.25 0.00 0.00 -1.16 0.00 0.00 32.46 31.05 2joz n ARG 54 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2joz n GLY 55 N 2.08 0.58 3.62 -0.13 0.00 -0.94 -4.99 105.19 105.41 2joz n GLY 55 Ca 0.00 -1.59 -0.40 0.00 0.00 0.00 0.00 46.02 44.03 2joz n GLY 55 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2joz s GLU 56 N -2.00 4.08 -0.15 1.61 2.02 -1.25 -1.29 118.70 121.71 2joz s GLU 56 Ca 0.00 0.28 -0.02 0.00 0.02 0.00 0.00 54.97 55.25 2joz s GLU 56 Cb 0.00 -3.64 -0.02 0.00 0.10 0.00 0.00 34.13 30.58 2joz s GLU 56 CO 0.00 -0.30 -0.09 0.08 0.02 0.00 0.00 175.26 174.96 2joz s VAL 57 N 2.15 3.30 0.04 2.63 1.01 -0.22 -4.87 120.40 124.43 2joz s VAL 57 Ca 0.20 -0.56 -0.30 0.00 0.00 0.00 0.00 61.98 61.32 2joz s VAL 57 Cb -0.16 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 2joz s VAL 57 CO 0.09 0.50 0.97 -1.10 0.00 0.00 0.00 175.10 175.56 2joz s GLN 58 N 0.56 4.60 0.54 2.72 -0.21 -1.26 -0.20 119.66 126.40 2joz s GLN 58 Ca -0.06 1.42 -0.04 0.00 0.02 0.00 0.00 55.36 56.70 2joz s GLN 58 Cb -0.15 -3.43 -0.00 0.00 1.00 0.00 0.00 33.01 30.42 2joz s GLN 58 CO 0.03 0.04 0.83 -0.51 -2.12 0.00 0.00 175.29 173.56 2joz s LEU 59 N 0.67 3.40 -0.08 2.90 1.43 0.21 -4.96 118.68 122.24 2joz s LEU 59 Ca 0.50 0.67 -0.37 0.00 -1.03 0.00 0.00 54.13 53.91 2joz s LEU 59 Cb -0.22 -3.54 -0.14 0.00 0.03 0.00 0.00 46.19 42.32 2joz s LEU 59 CO 0.29 -0.89 1.68 -2.65 0.23 0.00 0.00 176.35 175.01 2joz n PRO 60 N -2.42 1.61 -2.19 1.29 -0.02 -1.26 -4.62 135.00 127.40 2joz n PRO 60 Ca 0.03 0.59 -0.39 0.00 -2.02 0.00 0.00 63.50 61.70 2joz n PRO 60 Cb 0.57 -2.32 -0.02 0.00 -0.02 0.00 0.00 33.50 31.71 2joz n PRO 60 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2joz s PHE 61 N 2.70 3.03 -0.20 6.00 0.08 -1.26 -4.86 117.98 123.47 2joz s PHE 61 Ca 0.91 1.49 -0.04 0.00 0.12 0.00 0.00 56.93 59.40 2joz s PHE 61 Cb -0.88 -3.55 -0.02 0.00 -0.57 0.00 0.00 43.02 38.01 2joz s PHE 61 CO 0.54 -1.63 -0.02 -1.64 -0.10 0.00 0.00 175.22 172.37 2joz s MET 62 N -2.06 3.53 0.21 0.44 -1.94 -0.66 -4.94 119.30 113.88 2joz s MET 62 Ca 0.54 -0.56 -0.28 0.00 -1.71 0.00 0.00 55.69 53.67 2joz s MET 62 Cb -0.36 -3.03 -0.09 0.00 2.01 0.00 0.00 34.83 33.37 2joz s MET 62 CO 0.46 -0.03 0.88 0.00 -0.01 0.00 0.00 175.02 176.31 2joz s ALA 63 N 1.09 3.38 0.29 3.03 0.00 -1.26 0.57 121.76 128.85 2joz s ALA 63 Ca 0.02 0.52 0.02 0.00 0.00 0.00 0.00 51.96 52.52 2joz s ALA 63 Cb -0.14 -3.11 -0.05 0.00 0.00 0.00 0.00 23.12 19.81 2joz s ALA 63 CO 0.01 0.24 0.10 1.52 0.00 0.00 0.00 175.76 177.63 2joz s TYR 64 N -1.18 1.66 -0.04 0.00 1.13 -1.08 -1.78 117.35 116.07 2joz s TYR 64 Ca 0.39 -1.15 -0.05 0.00 -1.41 0.00 0.00 57.07 54.84 2joz s TYR 64 Cb -0.25 -1.00 0.01 0.00 -1.10 0.00 0.00 41.96 39.62 2joz s TYR 64 CO 0.30 -0.27 0.14 -1.59 -2.51 0.00 0.00 175.55 171.61 2joz s LYS 65 N -3.96 0.26 -0.15 -3.49 -2.85 0.57 -4.83 119.74 105.29 2joz s LYS 65 Ca 0.37 0.01 -0.26 0.00 -1.00 0.00 0.00 55.97 55.09 2joz s LYS 65 Cb 0.07 0.12 -0.01 0.00 -2.06 0.00 0.00 37.83 35.95 2joz s LYS 65 CO 0.15 -0.05 0.87 0.08 0.10 0.00 0.00 175.35 176.50 2joz s VAL 66 N -0.37 4.86 -0.15 1.79 1.01 -1.26 0.28 120.40 126.56 2joz s VAL 66 Ca -0.04 1.73 -0.16 0.00 0.00 0.00 0.00 61.98 63.51 2joz s VAL 66 Cb -0.03 -4.18 -0.13 0.00 0.00 0.00 0.00 36.38 32.04 2joz s VAL 66 CO 0.01 0.03 0.21 0.40 0.00 0.00 0.00 175.10 175.74 2joz h ILE 67 N 5.15 0.72 -4.31 2.22 2.04 -1.02 -3.48 117.51 118.85 2joz h ILE 67 Ca -0.30 -1.70 -0.17 0.00 1.00 0.00 0.00 64.86 63.69 2joz h ILE 67 Cb 1.14 1.52 -0.15 0.00 -0.74 0.00 0.00 36.82 38.59 2joz h ILE 67 CO 0.84 0.25 -0.66 -0.44 0.00 0.00 0.00 178.15 178.14 2joz s SER 68 N -6.17 0.45 -0.00 1.72 0.01 -1.08 -5.02 113.70 103.61 2joz s SER 68 Ca -0.17 -1.13 -0.07 0.00 1.31 0.00 0.00 55.95 55.88 2joz s SER 68 Cb 0.02 0.25 0.00 0.00 0.21 0.00 0.00 66.02 66.50 2joz s SER 68 CO 0.41 -0.67 0.13 -1.58 0.41 0.00 0.00 173.24 171.94 2joz s GLN 69 N -3.99 0.46 -0.14 12.44 0.74 -1.26 -0.60 119.66 127.31 2joz s GLN 69 Ca 0.18 -0.37 0.00 0.00 0.05 0.00 0.00 55.36 55.23 2joz s GLN 69 Cb 0.07 0.19 0.02 0.00 1.10 0.00 0.00 33.01 34.40 2joz s GLN 69 CO -0.02 -0.11 -0.13 0.45 -0.55 0.00 0.00 175.29 174.93 2joz s SER 70 N -1.29 2.57 0.00 6.67 0.15 0.11 -3.49 113.70 118.42 2joz s SER 70 Ca -0.14 -0.45 0.15 0.00 0.70 0.00 0.00 55.95 56.21 2joz s SER 70 Cb -0.07 -1.12 0.73 0.00 -1.71 0.00 0.00 66.02 63.85 2joz s SER 70 CO 0.01 -0.05 1.42 0.35 1.20 0.00 0.00 173.24 176.17 2joz n THR 71 N 4.69 0.65 -0.03 6.45 -2.24 -1.01 -1.68 114.28 121.10 2joz n THR 71 Ca -0.17 0.16 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 2joz n THR 71 Cb 0.50 -0.91 -0.07 0.00 -2.10 0.00 0.00 70.33 67.75 2joz n THR 71 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2joz h ASP 72 N 0.00 0.20 0.00 3.42 3.58 -1.87 -3.47 116.42 118.28 2joz h ASP 72 Ca 0.00 -0.29 0.00 0.00 0.42 0.00 0.00 57.03 57.16 2joz h ASP 72 Cb 0.16 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.16 2joz h ASP 72 CO 0.00 0.44 0.00 0.61 -2.88 0.00 0.00 179.24 177.41 2joz n GLY 73 N -0.33 0.00 3.18 -0.78 0.00 -0.68 -5.06 105.19 101.53 2joz n GLY 73 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 2joz n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2joz s SER 74 N 0.00 -0.05 -0.01 1.61 0.01 -1.06 -1.81 113.70 112.40 2joz s SER 74 Ca 0.00 -0.17 0.02 0.00 1.31 0.00 0.00 55.95 57.11 2joz s SER 74 Cb 0.00 0.28 -0.00 0.00 0.21 0.00 0.00 66.02 66.51 2joz s SER 74 CO 0.00 -0.48 -0.05 -0.63 0.41 0.00 0.00 173.24 172.49 2joz s ILE 75 N -1.85 0.46 -0.17 1.44 1.01 0.71 0.07 121.20 122.86 2joz s ILE 75 Ca -0.10 -0.22 -0.03 0.00 0.00 0.00 0.00 60.65 60.29 2joz s ILE 75 Cb -0.04 -0.40 -0.02 0.00 0.01 0.00 0.00 42.46 42.01 2joz s ILE 75 CO 0.00 0.14 -0.05 -0.70 0.00 0.00 0.00 174.94 174.34 2joz s GLU 76 N 0.03 3.55 0.15 2.79 2.12 0.23 -0.25 118.70 127.32 2joz s GLU 76 Ca 0.00 -0.57 0.06 0.00 0.36 0.00 0.00 54.97 54.82 2joz s GLU 76 Cb -0.04 -2.92 -0.04 0.00 0.26 0.00 0.00 34.13 31.39 2joz s GLU 76 CO -0.00 0.10 -0.14 0.96 -0.54 0.00 0.00 175.26 175.64 2joz s ILE 77 N 0.72 1.45 0.03 -3.70 -4.36 -0.57 -0.36 121.20 114.41 2joz s ILE 77 Ca -0.02 -1.95 0.04 0.00 -0.26 0.00 0.00 60.65 58.45 2joz s ILE 77 Cb -0.15 -1.77 -0.02 0.00 1.25 0.00 0.00 42.46 41.77 2joz s ILE 77 CO 0.02 -0.53 -0.11 -1.58 0.24 0.00 0.00 174.94 172.98 2joz s GLN 78 N -3.20 0.77 0.32 0.37 0.74 0.14 -0.19 119.66 118.62 2joz s GLN 78 Ca 0.15 -0.62 -0.03 0.00 0.05 0.00 0.00 55.36 54.92 2joz s GLN 78 Cb -0.02 -0.72 -0.04 0.00 1.10 0.00 0.00 33.01 33.32 2joz s GLN 78 CO 0.04 0.18 0.56 0.71 -0.55 0.00 0.00 175.29 176.23 2joz s TYR 79 N -0.75 3.49 0.39 1.67 2.02 -1.06 -0.32 117.35 122.80 2joz s TYR 79 Ca -0.00 0.53 0.03 0.00 -0.37 0.00 0.00 57.07 57.26 2joz s TYR 79 Cb -0.07 -2.03 0.03 0.00 -0.40 0.00 0.00 41.96 39.49 2joz s TYR 79 CO 0.01 0.13 0.23 1.28 -1.57 0.00 0.00 175.55 175.63 2joz n LEU 80 N -1.33 0.00 0.00 -1.29 4.77 -0.74 -3.68 117.00 114.73 2joz n LEU 80 Ca -0.03 -2.15 0.00 0.00 -0.03 0.00 0.00 56.01 53.81 2joz n LEU 80 Cb 0.55 0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 2joz n LEU 80 CO 0.49 -0.46 0.00 0.61 -1.33 0.00 0.00 177.39 176.70 2joz n GLY 81 N 0.25 -0.29 0.00 -0.72 0.00 -1.26 -2.89 105.19 100.28 2joz n GLY 81 Ca -0.05 -1.05 0.03 0.00 0.00 0.00 0.00 46.02 44.95 2joz n GLY 81 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2joz n PRO 82 N 0.00 0.09 -0.81 1.61 -0.04 -1.26 -1.42 135.00 133.17 2joz n PRO 82 Ca 0.00 0.21 0.06 0.00 -0.04 0.00 0.00 63.50 63.73 2joz n PRO 82 Cb 0.00 -1.50 0.36 0.00 -0.04 0.00 0.00 33.50 32.32 2joz n PRO 82 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2joz n TYR 83 N -1.26 1.87 -0.47 0.54 4.01 -1.14 -5.02 117.16 115.68 2joz n TYR 83 Ca 0.03 -0.82 -0.29 0.00 -0.16 0.00 0.00 57.90 56.66 2joz n TYR 83 Cb 0.04 -0.49 0.25 0.00 -0.31 0.00 0.00 39.34 38.84 2joz n TYR 83 CO 0.00 0.00 0.00 2.48 -0.46 0.00 0.00 176.86 178.88 2joz n TYR 84 N 0.27 -1.65 0.00 -0.72 4.11 -0.51 -3.11 117.16 115.55 2joz n TYR 84 Ca 0.28 -0.20 0.00 0.00 -0.00 0.00 0.00 57.90 57.98 2joz n TYR 84 Cb 1.15 -1.62 0.00 0.00 -0.00 0.00 0.00 39.34 38.87 2joz n TYR 84 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.86 174.56 2joz n PRO 85 N -4.57 0.00 -1.93 -3.48 -0.02 -1.25 -4.85 135.00 118.89 2joz n PRO 85 Ca 0.03 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.08 2joz n PRO 85 Cb 0.56 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 34.01 2joz n PRO 85 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2joz s LEU 86 N 0.00 3.49 0.36 2.45 2.96 -1.18 -4.89 118.68 121.88 2joz s LEU 86 Ca 0.00 1.40 0.07 0.00 -0.22 0.00 0.00 54.13 55.39 2joz s LEU 86 Cb 0.00 -3.50 -0.01 0.00 0.50 0.00 0.00 46.19 43.18 2joz s LEU 86 CO 0.00 -1.76 0.45 -1.59 -1.32 0.00 0.00 176.35 172.13 2joz s LYS 87 N 5.79 2.91 0.04 1.98 -2.85 -1.26 -2.56 119.74 123.80 2joz s LYS 87 Ca 0.83 -1.17 -0.01 0.00 -1.00 0.00 0.00 55.97 54.62 2joz s LYS 87 Cb -0.24 -2.69 -0.03 0.00 -2.06 0.00 0.00 37.83 32.80 2joz s LYS 87 CO 0.34 -0.03 -0.02 0.45 0.10 0.00 0.00 175.35 176.18 2joz s SER 88 N -4.17 0.38 -0.04 0.03 0.15 0.74 -4.63 113.70 106.16 2joz s SER 88 Ca 0.47 -0.80 0.03 0.00 0.70 0.00 0.00 55.95 56.35 2joz s SER 88 Cb -0.08 0.17 -0.03 0.00 -1.71 0.00 0.00 66.02 64.37 2joz s SER 88 CO 0.30 -0.49 -0.11 -0.89 1.20 0.00 0.00 173.24 173.25 2joz s THR 89 N -2.98 3.32 -0.12 6.45 2.01 0.59 -1.51 115.64 123.40 2joz s THR 89 Ca -0.02 -0.71 0.03 0.00 0.31 0.00 0.00 61.69 61.30 2joz s THR 89 Cb 0.01 -2.35 0.01 0.00 0.01 0.00 0.00 72.50 70.18 2joz s THR 89 CO -0.07 0.53 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.43 2joz s LEU 90 N -0.95 1.97 0.16 4.42 1.43 0.65 -0.11 118.68 126.26 2joz s LEU 90 Ca 0.13 -0.53 0.09 0.00 -1.03 0.00 0.00 54.13 52.79 2joz s LEU 90 Cb -0.11 -1.30 -0.04 0.00 0.03 0.00 0.00 46.19 44.77 2joz s LEU 90 CO 0.03 0.08 -0.18 -0.54 0.23 0.00 0.00 176.35 175.96 2joz s LYS 91 N 0.73 1.27 0.33 1.70 1.02 0.63 -0.21 119.74 125.20 2joz s LYS 91 Ca -0.11 -1.40 -0.26 0.00 0.02 0.00 0.00 55.97 54.23 2joz s LYS 91 Cb -0.16 -1.34 -0.10 0.00 -0.52 0.00 0.00 37.83 35.71 2joz s LYS 91 CO 0.01 0.27 0.96 -0.98 -0.92 0.00 0.00 175.35 174.70 2joz s ARG 92 N -2.75 4.56 0.52 1.68 1.70 -0.75 -0.22 118.95 123.69 2joz s ARG 92 Ca 0.15 1.36 0.09 0.00 -0.47 0.00 0.00 55.73 56.87 2joz s ARG 92 Cb -0.06 -2.80 0.06 0.00 -0.57 0.00 0.00 34.95 31.58 2joz s ARG 92 CO 0.07 0.25 0.69 0.20 -1.08 0.00 0.00 175.30 175.42 2joz s GLY 93 N -1.58 1.85 0.13 3.88 0.00 0.58 -4.63 107.32 107.55 2joz s GLY 93 Ca 0.50 -1.94 -0.30 0.00 0.00 0.00 0.00 44.72 42.98 2joz s GLY 93 CO 0.25 -1.65 1.06 -1.83 0.00 0.00 0.00 173.10 170.93 2joz s GLU 94 N -4.53 4.61 0.00 2.90 -1.05 -1.26 -4.18 118.70 115.19 2joz s GLU 94 Ca 0.58 1.62 0.00 0.00 -0.15 0.00 0.00 54.97 57.01 2joz s GLU 94 Cb -0.07 -3.33 0.00 0.00 -0.44 0.00 0.00 34.13 30.29 2joz s GLU 94 CO 0.36 0.07 0.00 0.09 0.95 0.00 0.00 175.26 176.73 2joz n ASN 95 N 2.79 0.00 -2.70 0.83 3.02 -1.26 -3.55 115.26 114.39 2joz n ASN 95 Ca 0.04 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.52 2joz n ASN 95 Cb 0.47 0.00 0.10 0.00 -0.61 0.00 0.00 39.78 39.74 2joz n ASN 95 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2joz n GLY 96 N 0.00 -0.27 3.31 7.41 0.00 -1.26 -5.15 105.19 109.23 2joz n GLY 96 Ca 0.00 0.36 -0.16 0.00 0.00 0.00 0.00 46.02 46.22 2joz n GLY 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2joz s THR 97 N 0.17 0.52 -0.03 2.61 -4.23 -1.23 -4.09 115.64 109.36 2joz s THR 97 Ca 0.21 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.75 2joz s THR 97 Cb 0.29 -2.63 0.00 0.00 1.34 0.00 0.00 72.50 71.50 2joz s THR 97 CO -0.11 0.00 -0.12 -0.22 -0.54 0.00 0.00 174.62 173.62 2joz s LEU 98 N -3.31 1.83 -0.20 4.79 2.96 -0.80 -0.31 118.68 123.65 2joz s LEU 98 Ca 0.38 -0.26 -0.07 0.00 -0.22 0.00 0.00 54.13 53.96 2joz s LEU 98 Cb 0.08 -0.73 -0.03 0.00 0.50 0.00 0.00 46.19 46.00 2joz s LEU 98 CO 0.14 0.10 0.05 -0.63 -1.32 0.00 0.00 176.35 174.68 2joz s ILE 99 N 0.14 4.44 -0.23 6.68 1.01 0.69 -1.34 121.20 132.59 2joz s ILE 99 Ca -0.04 -0.15 -0.00 0.00 0.00 0.00 0.00 60.65 60.46 2joz s ILE 99 Cb -0.10 -3.02 0.03 0.00 0.01 0.00 0.00 42.46 39.38 2joz s ILE 99 CO 0.01 0.42 -0.11 0.86 0.00 0.00 0.00 174.94 176.13 2joz s TRP 100 N 0.83 3.02 -0.11 3.97 -0.00 0.27 -0.27 118.94 126.66 2joz s TRP 100 Ca 0.03 -1.70 -0.01 0.00 -0.00 0.00 0.00 56.10 54.42 2joz s TRP 100 Cb -0.14 -2.00 -0.03 0.00 -0.00 0.00 0.00 33.47 31.31 2joz s TRP 100 CO 0.02 -0.77 -0.08 -1.21 -0.00 0.00 0.00 176.95 174.91 2joz s GLU 101 N 1.28 3.15 -0.16 5.86 2.02 0.85 0.73 118.70 132.42 2joz s GLU 101 Ca 0.00 -0.58 -0.06 0.00 0.02 0.00 0.00 54.97 54.35 2joz s GLU 101 Cb -0.16 -2.68 0.08 0.00 0.10 0.00 0.00 34.13 31.46 2joz s GLU 101 CO -0.07 0.44 0.35 -1.14 0.02 0.00 0.00 175.26 174.86 2joz s GLN 102 N -0.21 0.25 0.00 1.61 -0.44 -0.63 -0.30 119.66 119.94 2joz s GLN 102 Ca 0.02 0.87 0.00 0.00 -2.50 0.00 0.00 55.36 53.76 2joz s GLN 102 Cb -0.13 0.13 0.00 0.00 -1.64 0.00 0.00 33.01 31.37 2joz s GLN 102 CO 0.03 -0.25 0.00 -1.71 0.50 0.00 0.00 175.29 173.85 2joz n ASN 103 N 5.22 -5.13 0.00 6.67 2.85 -1.26 -1.15 115.26 122.45 2joz n ASN 103 Ca -0.10 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.37 2joz n ASN 103 Cb 0.50 -2.75 0.00 0.00 1.24 0.00 0.00 39.78 38.77 2joz n ASN 103 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2joz n GLY 104 N -0.02 0.81 3.77 8.20 0.00 -1.26 -5.09 105.19 111.60 2joz n GLY 104 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2joz n GLY 104 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2joz s GLN 105 N -0.45 4.18 -0.32 1.61 -0.21 -0.30 -5.05 119.66 119.12 2joz s GLN 105 Ca 0.00 0.47 -0.11 0.00 0.02 0.00 0.00 55.36 55.74 2joz s GLN 105 Cb 0.00 -3.34 -0.02 0.00 1.00 0.00 0.00 33.01 30.65 2joz s GLN 105 CO 0.00 0.40 0.19 0.50 -2.12 0.00 0.00 175.29 174.26 2joz s ARG 106 N -0.18 3.48 -0.10 2.91 3.52 -1.26 -1.60 118.95 125.73 2joz s ARG 106 Ca 0.25 -0.64 -0.09 0.00 -0.13 0.00 0.00 55.73 55.13 2joz s ARG 106 Cb -0.16 -3.67 -0.04 0.00 -1.56 0.00 0.00 34.95 29.51 2joz s ARG 106 CO 0.12 -0.40 0.20 0.15 -0.81 0.00 0.00 175.30 174.57 2joz s LYS 107 N 1.68 3.58 -0.23 5.12 -0.14 0.22 -4.95 119.74 125.01 2joz s LYS 107 Ca 0.06 -0.02 0.02 0.00 -1.36 0.00 0.00 55.97 54.67 2joz s LYS 107 Cb -0.17 -3.21 0.05 0.00 -1.68 0.00 0.00 37.83 32.82 2joz s LYS 107 CO 0.09 0.74 -0.11 0.99 -0.76 0.00 0.00 175.35 176.29 2joz s THR 108 N -0.97 1.95 -0.01 2.17 2.01 -1.26 -0.56 115.64 118.97 2joz s THR 108 Ca 0.17 -1.36 0.06 0.00 0.31 0.00 0.00 61.69 60.87 2joz s THR 108 Cb -0.13 -2.04 -0.03 0.00 0.01 0.00 0.00 72.50 70.32 2joz s THR 108 CO 0.06 0.07 -0.20 -0.04 -0.69 0.00 0.00 174.62 173.83 2joz s MET 109 N 1.23 2.24 0.12 4.92 -1.94 -0.45 -4.65 119.30 120.76 2joz s MET 109 Ca -0.05 -0.86 -0.00 0.00 -1.71 0.00 0.00 55.69 53.07 2joz s MET 109 Cb -0.18 -2.20 -0.04 0.00 2.01 0.00 0.00 34.83 34.41 2joz s MET 109 CO -0.07 0.58 0.29 0.99 -0.01 0.00 0.00 175.02 176.80 2joz s THR 110 N -0.74 5.30 -0.09 2.05 2.01 0.02 -1.90 115.64 122.29 2joz s THR 110 Ca 0.12 -0.37 -0.26 0.00 0.31 0.00 0.00 61.69 61.49 2joz s THR 110 Cb -0.10 -3.67 -0.02 0.00 0.01 0.00 0.00 72.50 68.71 2joz s THR 110 CO 0.01 0.02 0.85 -0.60 -0.69 0.00 0.00 174.62 174.21 2joz s ARG 111 N -2.82 4.42 0.23 4.92 3.52 -1.26 -0.41 118.95 127.55 2joz s ARG 111 Ca 0.37 1.12 -0.20 0.00 -0.13 0.00 0.00 55.73 56.88 2joz s ARG 111 Cb -0.12 -3.50 -0.08 0.00 -1.56 0.00 0.00 34.95 29.68 2joz s ARG 111 CO 0.28 -0.14 0.74 0.42 -0.81 0.00 0.00 175.30 175.79 2joz s ILE 112 N 1.43 4.56 -0.20 4.11 -1.09 0.20 -4.93 121.20 125.28 2joz s ILE 112 Ca 0.43 1.29 -0.01 0.00 -2.23 0.00 0.00 60.65 60.12 2joz s ILE 112 Cb -0.18 -3.85 0.06 0.00 -1.58 0.00 0.00 42.46 36.90 2joz s ILE 112 CO 0.19 0.18 -0.00 -0.70 -1.23 0.00 0.00 174.94 173.38 2joz s GLU 113 N -2.04 1.03 -0.19 2.79 2.12 -1.26 -4.69 118.70 116.46 2joz s GLU 113 Ca 0.44 -0.60 -0.02 0.00 0.36 0.00 0.00 54.97 55.15 2joz s GLU 113 Cb -0.16 -2.23 -0.00 0.00 0.26 0.00 0.00 34.13 31.99 2joz s GLU 113 CO 0.21 -0.60 -0.09 -1.54 -0.54 0.00 0.00 175.26 172.69 2joz s SER 114 N 1.69 4.00 -0.43 -1.70 1.04 -1.26 -4.96 113.70 112.08 2joz s SER 114 Ca -0.02 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 55.98 2joz s SER 114 Cb -0.17 -1.66 0.38 0.00 0.10 0.00 0.00 66.02 64.67 2joz s SER 114 CO -0.07 0.03 1.90 0.29 0.98 0.00 0.00 173.24 176.37 2joz n LYS 115 N 4.45 2.12 -3.55 4.02 5.02 -1.26 -4.86 118.16 124.10 2joz n LYS 115 Ca -0.19 -2.32 -0.11 0.00 -2.02 0.00 0.00 58.31 53.67 2joz n LYS 115 Cb 0.51 -1.91 -0.03 0.00 -0.02 0.00 0.00 35.03 33.58 2joz n LYS 115 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2joz s THR 116 N -3.12 0.04 0.00 -0.18 -1.32 -1.26 -5.13 115.64 104.67 2joz s THR 116 Ca 0.45 -0.34 0.00 0.00 -1.21 0.00 0.00 61.69 60.59 2joz s THR 116 Cb 0.36 -1.13 0.00 0.00 -1.51 0.00 0.00 72.50 70.22 2joz s THR 116 CO 0.02 -0.16 0.00 0.61 -2.21 0.00 0.00 174.62 172.88 2joz n GLY 117 N -0.30 1.23 3.08 6.08 0.00 -1.26 -5.13 105.19 108.88 2joz n GLY 117 Ca -0.16 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 2joz n GLY 117 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2joz s ARG 118 N 0.00 2.20 -0.54 1.61 3.00 -1.26 -5.05 118.95 118.91 2joz s ARG 118 Ca 0.00 -1.38 -0.26 0.00 -1.00 0.00 0.00 55.73 53.09 2joz s ARG 118 Cb 0.00 -2.95 -0.06 0.00 0.00 0.00 0.00 34.95 31.95 2joz s ARG 118 CO 0.00 -0.61 2.26 -1.21 0.00 0.00 0.00 175.30 175.74 2joz s GLU 119 N 1.10 2.22 -0.67 5.12 8.01 -1.26 -4.90 118.70 128.32 2joz s GLU 119 Ca -0.07 1.15 -0.12 0.00 0.01 0.00 0.00 54.97 55.94 2joz s GLU 119 Cb -0.20 -4.55 0.17 0.00 -4.31 0.00 0.00 34.13 25.25 2joz s GLU 119 CO -0.05 -3.18 0.58 -1.21 0.01 0.00 0.00 175.26 171.41 2joz s GLU 120 N 7.96 3.09 -0.01 1.61 2.02 -1.26 -5.05 118.70 127.06 2joz s GLU 120 Ca 0.89 -2.18 -0.22 0.00 0.02 0.00 0.00 54.97 53.48 2joz s GLU 120 Cb -0.16 -4.19 -0.05 0.00 0.10 0.00 0.00 34.13 29.83 2joz s GLU 120 CO 0.24 -1.26 0.65 0.21 0.02 0.00 0.00 175.26 175.11 2joz s LYS 121 N 0.66 4.38 -0.03 1.61 2.20 -1.26 -5.06 119.74 122.24 2joz s LYS 121 Ca 0.12 0.83 0.04 0.00 -0.36 0.00 0.00 55.97 56.59 2joz s LYS 121 Cb -0.19 -3.37 -0.03 0.00 -1.51 0.00 0.00 37.83 32.73 2joz s LYS 121 CO -0.04 0.28 -0.12 0.34 -0.36 0.00 0.00 175.35 175.45 2joz s ASP 122 N 0.07 4.22 -0.61 1.43 2.15 -1.26 -5.07 116.67 117.60 2joz s ASP 122 Ca 0.34 -0.19 -0.25 0.00 0.43 0.00 0.00 52.55 52.88 2joz s ASP 122 Cb -0.18 -0.91 0.05 0.00 -0.30 0.00 0.00 42.92 41.57 2joz s ASP 122 CO 0.18 0.32 1.03 -0.70 -0.17 0.00 0.00 175.17 175.83 2joz s GLU 123 N -1.00 3.28 -0.11 4.34 2.12 -1.26 -4.99 118.70 121.08 2joz s GLU 123 Ca 0.13 -0.33 0.01 0.00 0.36 0.00 0.00 54.97 55.14 2joz s GLU 123 Cb -0.11 -4.11 0.02 0.00 0.26 0.00 0.00 34.13 30.19 2joz s GLU 123 CO 0.03 -1.68 -0.14 0.21 -0.54 0.00 0.00 175.26 173.13 2joz s LYS 124 N 4.35 2.16 -0.09 4.30 2.20 -1.26 -5.13 119.74 126.27 2joz s LYS 124 Ca 0.31 -0.53 -0.04 0.00 -0.36 0.00 0.00 55.97 55.34 2joz s LYS 124 Cb -0.12 -1.88 -0.04 0.00 -1.51 0.00 0.00 37.83 34.28 2joz s LYS 124 CO 0.17 -0.10 0.10 0.45 -0.36 0.00 0.00 175.35 175.60 2joz s SER 125 N 1.11 5.97 -0.93 1.43 0.15 -1.26 -5.05 113.70 115.13 2joz s SER 125 Ca -0.04 0.33 -0.11 0.00 0.70 0.00 0.00 55.95 56.83 2joz s SER 125 Cb -0.14 -1.84 0.24 0.00 -1.71 0.00 0.00 66.02 62.56 2joz s SER 125 CO -0.03 0.37 0.88 -0.54 1.20 0.00 0.00 173.24 175.12 2joz s LYS 126 N -1.13 3.77 -1.22 5.44 1.02 -1.26 -4.98 119.74 121.38 2joz s LYS 126 Ca 0.16 -2.79 -0.11 0.00 0.02 0.00 0.00 55.97 53.25 2joz s LYS 126 Cb -0.12 -4.43 0.19 0.00 -0.52 0.00 0.00 37.83 32.95 2joz s LYS 126 CO 0.06 -1.27 1.58 0.43 -0.92 0.00 0.00 175.35 175.23 2joz n SER 127 N 3.39 5.29 -3.80 2.83 7.64 -1.26 -4.91 113.62 122.80 2joz n SER 127 Ca 0.18 -3.06 -0.14 0.00 1.01 0.00 0.00 58.87 56.86 2joz n SER 127 Cb 0.43 -1.50 -0.15 0.00 -1.01 0.00 0.00 64.21 61.99 2joz n SER 127 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2joz s LEU 128 N 0.38 1.32 -0.06 -3.43 1.43 -1.26 -5.15 118.68 111.92 2joz s LEU 128 Ca 0.40 0.10 -0.15 0.00 -1.03 0.00 0.00 54.13 53.45 2joz s LEU 128 Cb 0.02 0.09 -0.05 0.00 0.03 0.00 0.00 46.19 46.28 2joz s LEU 128 CO 0.00 -0.09 0.39 -1.61 0.23 0.00 0.00 176.35 175.28 2joz s GLU 129 N 0.67 4.05 -0.24 1.70 2.02 -1.26 -5.06 118.70 120.57 2joz s GLU 129 Ca -0.05 0.34 -0.19 0.00 0.02 0.00 0.00 54.97 55.08 2joz s GLU 129 Cb -0.08 -3.30 -0.02 0.00 0.10 0.00 0.00 34.13 30.83 2joz s GLU 129 CO -0.02 0.50 0.57 -1.58 0.02 0.00 0.00 175.26 174.74 2joz s HIS 130 N -0.43 3.30 -0.11 1.61 5.65 -1.26 -5.06 115.29 118.98 2joz s HIS 130 Ca 0.22 0.75 -0.02 0.00 0.25 0.00 0.00 55.06 56.27 2joz s HIS 130 Cb -0.15 -2.76 -0.03 0.00 -1.18 0.00 0.00 32.58 28.45 2joz s HIS 130 CO 0.11 -0.26 -0.04 -3.38 -0.65 0.00 0.00 174.74 170.52 2joz s HIS 131 N 2.24 3.02 -0.51 3.88 -3.43 -1.26 -5.05 115.29 114.17 2joz s HIS 131 Ca 0.24 -0.09 -0.27 0.00 -0.80 0.00 0.00 55.06 54.14 2joz s HIS 131 Cb -0.16 -1.83 -0.02 0.00 -1.43 0.00 0.00 32.58 29.14 2joz s HIS 131 CO 0.09 0.20 1.86 -1.58 -2.00 0.00 0.00 174.74 173.30 2joz s HIS 132 N -0.31 1.70 -0.43 0.38 2.46 -1.26 -4.94 115.29 112.89 2joz s HIS 132 Ca 0.05 0.78 0.00 0.00 0.47 0.00 0.00 55.06 56.36 2joz s HIS 132 Cb -0.12 -4.08 0.12 0.00 -0.13 0.00 0.00 32.58 28.36 2joz s HIS 132 CO 0.02 -2.51 0.20 -1.58 -2.47 0.00 0.00 174.74 168.40 2joz s HIS 133 N 8.44 3.56 0.00 3.88 5.04 -1.26 -4.81 115.29 130.14 2joz s HIS 133 Ca 0.73 -2.77 0.00 0.00 -1.54 0.00 0.00 55.06 51.47 2joz s HIS 133 Cb -0.16 -3.07 0.00 0.00 0.04 0.00 0.00 32.58 29.40 2joz s HIS 133 CO 0.25 -0.91 0.00 0.72 -2.34 0.00 0.00 174.74 172.46 2joz n HIS 134 N 4.09 0.00 -0.61 3.88 8.25 -1.26 -5.33 115.22 124.24 2joz n HIS 134 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 2joz n HIS 134 Cb 0.40 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.51 2joz n HIS 134 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56