#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 2.46 -0.45 1.12 -0.00 -1.26 -5.05 121.20 118.02 2joz s ILE 2 Ca 0.00 -0.72 -0.22 0.00 -0.00 0.00 0.00 60.65 59.71 2joz s ILE 2 Cb 0.00 -2.74 0.03 0.00 -0.00 0.00 0.00 42.46 39.74 2joz s ILE 2 CO 0.00 0.00 0.73 -0.32 -0.00 0.00 0.00 174.94 175.35 2joz s MET 3 N -4.83 3.34 0.41 0.37 -2.45 -1.26 -5.03 119.30 109.85 2joz s MET 3 Ca 0.61 -0.25 0.07 0.00 -1.25 0.00 0.00 55.69 54.87 2joz s MET 3 Cb -0.08 -3.95 -0.07 0.00 1.25 0.00 0.00 34.83 31.98 2joz s MET 3 CO 0.40 -1.10 0.09 0.14 1.05 0.00 0.00 175.02 175.60 2joz s VAL 4 N 3.11 2.14 -0.21 10.11 -7.23 -1.26 -5.13 120.40 121.94 2joz s VAL 4 Ca 0.27 -1.85 -0.06 0.00 -1.81 0.00 0.00 61.98 58.52 2joz s VAL 4 Cb -0.13 -2.99 -0.03 0.00 0.56 0.00 0.00 36.38 33.78 2joz s VAL 4 CO 0.21 0.00 0.04 -0.94 -0.31 0.00 0.00 175.10 174.09 2joz s SER 5 N -3.81 5.16 0.29 4.85 1.04 -1.26 -4.97 113.70 115.01 2joz s SER 5 Ca 0.38 -0.11 0.24 0.00 0.48 0.00 0.00 55.95 56.94 2joz s SER 5 Cb 0.07 -1.89 0.47 0.00 0.10 0.00 0.00 66.02 64.77 2joz s SER 5 CO 0.20 0.08 1.57 1.23 0.98 0.00 0.00 173.24 177.30 2joz h GLY 6 N 7.41 0.00 -7.07 7.32 0.00 -2.04 -3.39 103.07 105.29 2joz h GLY 6 Ca -0.36 0.00 -0.69 0.00 0.00 0.00 0.00 47.33 46.28 2joz h GLY 6 CO 0.63 0.00 2.59 0.00 0.00 0.00 0.00 176.54 179.76 2joz s GLN 8 N 3.76 0.13 -1.45 0.00 0.74 -1.26 -4.85 119.66 116.73 2joz s GLN 8 Ca 0.51 0.14 -0.09 0.00 0.05 0.00 0.00 55.36 55.97 2joz s GLN 8 Cb 0.08 -0.38 0.03 0.00 1.10 0.00 0.00 33.01 33.84 2joz s GLN 8 CO 0.01 -0.16 0.93 0.94 -0.55 0.00 0.00 175.29 176.45 2joz n GLN 9 N 4.21 -6.28 -2.10 1.67 -0.06 -1.26 -4.93 117.38 108.63 2joz n GLN 9 Ca -0.26 0.79 -0.35 0.00 -2.00 0.00 0.00 57.00 55.18 2joz n GLN 9 Cb 0.50 -5.73 0.02 0.00 -4.06 0.00 0.00 30.24 20.97 2joz n GLN 9 CO 0.00 0.00 0.00 1.14 -0.20 0.00 0.00 177.06 178.00 2joz s GLN 10 N -6.17 3.15 0.00 3.69 -2.07 -1.26 -4.93 119.66 112.08 2joz s GLN 10 Ca 0.50 1.62 0.29 0.00 -1.82 0.00 0.00 55.36 55.96 2joz s GLN 10 Cb -0.23 -1.98 1.32 0.00 -1.09 0.00 0.00 33.01 31.03 2joz s GLN 10 CO 0.62 -1.01 1.91 1.63 -1.32 0.00 0.00 175.29 177.12 2joz n LYS 11 N -1.58 0.86 -3.93 9.60 5.02 -1.26 -4.60 118.16 122.26 2joz n LYS 11 Ca 0.12 -0.28 -0.28 0.00 -2.02 0.00 0.00 58.31 55.84 2joz n LYS 11 Cb 0.51 -1.49 -0.17 0.00 -0.02 0.00 0.00 35.03 33.86 2joz n LYS 11 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2joz s GLU 12 N -2.34 1.69 0.47 1.97 2.56 -1.26 -5.12 118.70 116.67 2joz s GLU 12 Ca 0.33 -0.40 -0.23 0.00 0.00 0.00 0.00 54.97 54.67 2joz s GLU 12 Cb 0.20 -1.83 -0.07 0.00 2.00 0.00 0.00 34.13 34.44 2joz s GLU 12 CO 0.44 -0.31 1.19 -1.21 -0.56 0.00 0.00 175.26 174.81 2joz s GLU 13 N 1.63 3.67 -0.64 4.30 0.41 -1.26 -5.00 118.70 121.81 2joz s GLU 13 Ca 0.04 1.83 -0.08 0.00 -0.41 0.00 0.00 54.97 56.35 2joz s GLU 13 Cb -0.13 -2.38 0.17 0.00 -1.78 0.00 0.00 34.13 30.01 2joz s GLU 13 CO -0.09 -0.64 0.51 0.99 -0.49 0.00 0.00 175.26 175.54 2joz s THR 14 N -1.52 4.41 -0.16 3.63 2.01 -1.26 -5.06 115.64 117.69 2joz s THR 14 Ca 0.65 -2.47 -0.26 0.00 0.31 0.00 0.00 61.69 59.91 2joz s THR 14 Cb -0.30 -3.83 -0.01 0.00 0.01 0.00 0.00 72.50 68.37 2joz s THR 14 CO 0.36 -0.89 0.87 -2.16 -0.69 0.00 0.00 174.62 172.10 2joz s PRO 15 N 0.42 4.31 0.00 4.92 0.05 -1.26 -4.94 135.00 138.51 2joz s PRO 15 Ca 0.14 1.08 0.14 0.00 0.05 0.00 0.00 61.00 62.41 2joz s PRO 15 Cb -0.19 -3.57 0.61 0.00 0.05 0.00 0.00 34.50 31.39 2joz s PRO 15 CO -0.04 -0.34 1.43 1.97 0.05 0.00 0.00 177.00 180.07 2joz n PHE 16 N 5.25 0.00 0.34 0.56 -1.74 -1.26 -2.08 117.46 118.53 2joz n PHE 16 Ca 0.05 0.00 0.04 0.00 -0.56 0.00 0.00 57.45 56.98 2joz n PHE 16 Cb 0.49 -0.47 0.03 0.00 1.52 0.00 0.00 39.48 41.05 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 -1.47 0.00 -3.58 2.97 4.11 -1.26 -4.92 117.16 113.01 2joz n TYR 17 Ca 0.04 0.00 -0.37 0.00 -0.00 0.00 0.00 57.90 57.57 2joz n TYR 17 Cb 0.15 0.00 -0.08 0.00 -0.00 0.00 0.00 39.34 39.41 2joz n TYR 17 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.86 176.39 2joz s TYR 18 N -0.75 3.37 -4.00 -3.48 5.04 -0.88 -4.77 117.35 111.88 2joz s TYR 18 Ca 0.09 0.40 0.00 0.00 -2.44 0.00 0.00 57.07 55.12 2joz s TYR 18 Cb 0.07 -2.33 0.00 0.00 0.35 0.00 0.00 41.96 40.05 2joz s TYR 18 CO 0.12 0.11 0.00 0.41 -1.34 0.00 0.00 175.55 174.84 2joz n GLY 19 N 3.94 0.89 3.61 8.97 0.00 -1.24 -4.91 105.19 116.45 2joz n GLY 19 Ca -0.13 -1.96 -0.37 0.00 0.00 0.00 0.00 46.02 43.56 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 -2.35 5.12 -0.10 2.61 2.01 -1.26 -1.35 115.64 120.33 2joz s THR 20 Ca 0.00 0.10 -0.03 0.00 0.31 0.00 0.00 61.69 62.06 2joz s THR 20 Cb 0.00 -3.39 -0.04 0.00 0.01 0.00 0.00 72.50 69.08 2joz s THR 20 CO 0.00 0.34 0.04 0.26 -0.69 0.00 0.00 174.62 174.57 2joz s TRP 21 N 1.22 3.29 -0.13 4.92 0.52 0.59 -3.45 118.94 125.90 2joz s TRP 21 Ca 0.07 0.28 -0.29 0.00 0.02 0.00 0.00 56.10 56.18 2joz s TRP 21 Cb -0.14 -1.84 -0.01 0.00 -1.15 0.00 0.00 33.47 30.33 2joz s TRP 21 CO 0.05 0.53 1.06 0.34 0.02 0.00 0.00 176.95 178.96 2joz s ASP 22 N -0.88 7.16 -1.06 2.95 2.15 0.21 -1.88 116.67 125.32 2joz s ASP 22 Ca 0.13 1.54 -0.17 0.00 0.43 0.00 0.00 52.55 54.49 2joz s ASP 22 Cb -0.12 -2.55 0.14 0.00 -0.30 0.00 0.00 42.92 40.09 2joz s ASP 22 CO 0.03 -0.54 1.29 -1.61 -0.17 0.00 0.00 175.17 174.17 2joz s GLU 23 N 2.44 3.82 0.38 4.34 0.41 -0.73 -2.41 118.70 126.95 2joz s GLU 23 Ca 0.49 -2.08 0.20 0.00 -0.41 0.00 0.00 54.97 53.17 2joz s GLU 23 Cb -0.19 -5.02 1.20 0.00 -1.78 0.00 0.00 34.13 28.34 2joz s GLU 23 CO 0.15 -1.81 1.67 0.78 -0.49 0.00 0.00 175.26 175.56 2joz h GLY 24 N 10.32 1.70 -5.33 -1.39 0.00 -1.87 -3.37 103.07 103.12 2joz h GLY 24 Ca 0.24 -0.19 -0.28 0.00 0.00 0.00 0.00 47.33 47.10 2joz h GLY 24 CO 1.19 -0.41 -0.74 -1.60 0.00 0.00 0.00 176.54 174.98 2joz s ARG 25 N -5.52 0.29 -0.00 4.80 3.52 -1.26 -5.03 118.95 115.76 2joz s ARG 25 Ca -0.09 -0.22 0.04 0.00 -0.13 0.00 0.00 55.73 55.33 2joz s ARG 25 Cb 0.29 -0.23 -0.01 0.00 -1.56 0.00 0.00 34.95 33.44 2joz s ARG 25 CO 0.80 0.06 -0.12 0.00 -0.81 0.00 0.00 175.30 175.23 2joz s ALA 26 N -0.31 0.98 -0.01 6.12 0.00 -1.26 -4.96 121.76 122.31 2joz s ALA 26 Ca -0.01 -0.55 -0.07 0.00 0.00 0.00 0.00 51.96 51.34 2joz s ALA 26 Cb -0.03 -0.23 -0.05 0.00 0.00 0.00 0.00 23.12 22.82 2joz s ALA 26 CO -0.00 0.23 0.25 -1.25 0.00 0.00 0.00 175.76 174.98 2joz s PRO 27 N -0.41 3.56 0.00 0.00 0.04 -1.26 -4.96 135.00 131.96 2joz s PRO 27 Ca 0.04 -0.09 0.00 0.00 0.04 0.00 0.00 61.00 60.99 2joz s PRO 27 Cb -0.05 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.39 2joz s PRO 27 CO -0.00 0.67 0.00 0.41 0.04 0.00 0.00 177.00 178.12 2joz n GLY 28 N 1.25 -0.58 3.29 0.56 0.00 -1.26 -5.06 105.19 103.39 2joz n GLY 28 Ca -0.13 -0.67 -0.34 0.00 0.00 0.00 0.00 46.02 44.89 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 0.00 -0.38 -0.32 1.61 -0.02 -1.26 -4.90 135.00 129.73 2joz n PRO 29 Ca 0.00 -0.08 0.06 0.00 -2.02 0.00 0.00 63.50 61.45 2joz n PRO 29 Cb 0.00 -1.61 0.20 0.00 -0.02 0.00 0.00 33.50 32.07 2joz n PRO 29 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2joz n THR 30 N -3.45 0.92 0.25 3.45 -2.24 -1.26 -4.18 114.28 107.76 2joz n THR 30 Ca 0.04 -0.64 0.09 0.00 -2.27 0.00 0.00 64.05 61.27 2joz n THR 30 Cb 0.56 0.03 0.63 0.00 -2.10 0.00 0.00 70.33 69.45 2joz n THR 30 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2joz h ASP 31 N 2.35 0.00 0.00 3.42 5.19 -2.06 -3.46 116.42 121.86 2joz h ASP 31 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2joz h ASP 31 Cb 0.84 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.35 2joz h ASP 31 CO 0.10 0.12 0.00 0.61 -3.12 0.00 0.00 179.24 176.95 2joz n GLY 32 N -1.04 0.72 3.76 2.75 0.00 -1.26 -5.11 105.19 105.02 2joz n GLY 32 Ca -0.02 -0.79 -0.37 0.00 0.00 0.00 0.00 46.02 44.84 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 -1.28 5.21 -0.12 1.61 1.01 -1.26 -4.68 120.40 120.88 2joz s VAL 33 Ca 0.00 0.72 0.20 0.00 0.00 0.00 0.00 61.98 62.90 2joz s VAL 33 Cb 0.00 -3.69 -0.22 0.00 0.00 0.00 0.00 36.38 32.47 2joz s VAL 33 CO 0.00 0.44 0.58 0.29 0.00 0.00 0.00 175.10 176.40 2joz n LYS 34 N 3.04 0.65 -3.62 2.72 5.02 -1.21 -4.99 118.16 119.76 2joz n LYS 34 Ca -0.12 -0.01 -0.10 0.00 -2.02 0.00 0.00 58.31 56.06 2joz n LYS 34 Cb 0.52 -1.64 -0.03 0.00 -0.02 0.00 0.00 35.03 33.86 2joz n LYS 34 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2joz s SER 35 N -5.14 -0.38 0.18 4.39 0.01 -1.18 -4.73 113.70 106.84 2joz s SER 35 Ca -0.06 -0.29 -0.10 0.00 1.31 0.00 0.00 55.95 56.81 2joz s SER 35 Cb 0.10 0.60 -0.00 0.00 0.21 0.00 0.00 66.02 66.93 2joz s SER 35 CO 0.85 -1.05 0.33 0.00 0.41 0.00 0.00 173.24 173.78 2joz s ALA 36 N -3.82 -0.09 -0.04 1.44 0.00 -1.26 -0.55 121.76 117.44 2joz s ALA 36 Ca 0.06 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.19 2joz s ALA 36 Cb -0.02 0.90 0.01 0.00 0.00 0.00 0.00 23.12 24.02 2joz s ALA 36 CO -0.06 -0.69 -0.07 0.95 0.00 0.00 0.00 175.76 175.89 2joz s THR 37 N -3.97 0.66 -0.22 0.00 -4.23 -0.09 -1.76 115.64 106.02 2joz s THR 37 Ca 0.18 -0.24 -0.04 0.00 -1.18 0.00 0.00 61.69 60.40 2joz s THR 37 Cb 0.02 -0.62 -0.01 0.00 1.34 0.00 0.00 72.50 73.23 2joz s THR 37 CO 0.01 0.23 -0.03 0.54 -0.54 0.00 0.00 174.62 174.83 2joz s VAL 38 N 0.53 3.49 -0.19 2.29 0.11 -0.79 -0.13 120.40 125.73 2joz s VAL 38 Ca -0.08 -0.45 -0.04 0.00 -2.93 0.00 0.00 61.98 58.47 2joz s VAL 38 Cb -0.11 -2.59 -0.02 0.00 -1.53 0.00 0.00 36.38 32.12 2joz s VAL 38 CO 0.01 0.42 -0.02 -0.89 -3.33 0.00 0.00 175.10 171.29 2joz s THR 39 N 1.40 3.89 -0.31 5.04 2.01 0.71 -0.30 115.64 128.09 2joz s THR 39 Ca 0.05 -0.34 -0.12 0.00 0.31 0.00 0.00 61.69 61.59 2joz s THR 39 Cb -0.14 -2.74 -0.03 0.00 0.01 0.00 0.00 72.50 69.59 2joz s THR 39 CO -0.02 0.45 0.20 -0.36 -0.69 0.00 0.00 174.62 174.20 2joz s PHE 40 N 0.82 3.21 0.48 4.92 0.08 -0.45 -0.72 117.98 126.33 2joz s PHE 40 Ca -0.00 -0.11 0.09 0.00 0.12 0.00 0.00 56.93 57.03 2joz s PHE 40 Cb -0.14 -2.41 0.04 0.00 -0.57 0.00 0.00 43.02 39.94 2joz s PHE 40 CO 0.02 -0.28 0.66 0.99 -0.10 0.00 0.00 175.22 176.51 2joz s THR 41 N 1.72 2.63 0.31 0.64 2.01 0.96 -3.61 115.64 120.31 2joz s THR 41 Ca 0.06 -1.01 0.07 0.00 0.31 0.00 0.00 61.69 61.12 2joz s THR 41 Cb -0.17 -2.64 0.30 0.00 0.01 0.00 0.00 72.50 70.01 2joz s THR 41 CO 0.10 0.00 1.76 -0.08 -0.69 0.00 0.00 174.62 175.71 2joz h GLU 42 N 0.45 0.68 0.00 4.92 4.81 -2.03 -3.24 114.58 120.18 2joz h GLU 42 Ca -0.36 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 2joz h GLU 42 Cb 1.28 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.51 2joz h GLU 42 CO 0.43 0.45 0.00 -3.47 -0.73 0.00 0.00 179.01 175.69 2joz n ASP 43 N -4.81 0.18 -4.28 1.04 2.03 -1.26 -5.10 116.55 104.35 2joz n ASP 43 Ca 0.24 -0.95 -0.22 0.00 0.52 0.00 0.00 54.79 54.38 2joz n ASP 43 Cb 0.62 0.01 -0.12 0.00 -0.72 0.00 0.00 41.12 40.91 2joz n ASP 43 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2joz s GLU 44 N -0.01 1.12 -0.26 -0.67 8.01 -1.22 -3.66 118.70 122.00 2joz s GLU 44 Ca 0.00 -1.21 -0.07 0.00 0.01 0.00 0.00 54.97 53.70 2joz s GLU 44 Cb 0.00 -1.27 -0.02 0.00 -4.31 0.00 0.00 34.13 28.53 2joz s GLU 44 CO 0.00 0.28 0.07 0.08 0.01 0.00 0.00 175.26 175.70 2joz s VAL 45 N -1.47 4.20 -0.16 2.63 1.01 0.16 -0.03 120.40 126.73 2joz s VAL 45 Ca 0.08 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.76 2joz s VAL 45 Cb -0.09 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.29 2joz s VAL 45 CO 0.04 0.29 -0.16 -0.69 0.00 0.00 0.00 175.10 174.59 2joz s VAL 46 N 1.59 2.58 -0.09 2.92 1.01 0.11 -0.62 120.40 127.88 2joz s VAL 46 Ca 0.06 -0.79 -0.09 0.00 0.00 0.00 0.00 61.98 61.15 2joz s VAL 46 Cb -0.15 -2.09 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 2joz s VAL 46 CO 0.03 0.51 0.22 -1.61 0.00 0.00 0.00 175.10 174.25 2joz s GLU 47 N 0.95 3.63 -0.04 2.72 2.02 -1.26 -0.20 118.70 126.52 2joz s GLU 47 Ca -0.03 0.02 0.05 0.00 0.02 0.00 0.00 54.97 55.04 2joz s GLU 47 Cb -0.15 -3.22 -0.01 0.00 0.10 0.00 0.00 34.13 30.85 2joz s GLU 47 CO -0.03 0.71 -0.21 0.99 0.02 0.00 0.00 175.26 176.75 2joz s THR 48 N -0.92 1.68 -0.17 3.63 2.01 0.82 0.31 115.64 123.01 2joz s THR 48 Ca 0.17 -0.87 -0.12 0.00 0.31 0.00 0.00 61.69 61.17 2joz s THR 48 Cb -0.13 -1.42 -0.05 0.00 0.01 0.00 0.00 72.50 70.91 2joz s THR 48 CO 0.06 0.48 0.24 -1.61 -0.69 0.00 0.00 174.62 173.10 2joz s GLU 49 N -0.17 4.22 -0.45 4.92 2.02 -0.01 -0.91 118.70 128.32 2joz s GLU 49 Ca -0.00 -0.01 -0.16 0.00 0.02 0.00 0.00 54.97 54.82 2joz s GLU 49 Cb -0.11 -3.42 0.05 0.00 0.10 0.00 0.00 34.13 30.75 2joz s GLU 49 CO 0.02 0.27 0.39 0.08 0.02 0.00 0.00 175.26 176.04 2joz s VAL 50 N 0.40 5.19 -0.03 2.63 1.01 0.28 -1.74 120.40 128.14 2joz s VAL 50 Ca 0.14 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.34 2joz s VAL 50 Cb -0.12 -4.07 0.01 0.00 0.00 0.00 0.00 36.38 32.20 2joz s VAL 50 CO 0.02 -0.50 -0.06 -0.32 0.00 0.00 0.00 175.10 174.24 2joz s MET 51 N 1.81 0.83 -1.05 2.72 0.00 -1.23 -3.11 119.30 119.27 2joz s MET 51 Ca 0.06 -0.19 -0.22 0.00 0.00 0.00 0.00 55.69 55.35 2joz s MET 51 Cb -0.21 -0.80 0.06 0.00 0.00 0.00 0.00 34.83 33.87 2joz s MET 51 CO 0.09 0.01 1.47 -2.00 0.00 0.00 0.00 175.02 174.59 2joz s GLU 52 N 0.52 3.64 0.00 4.11 2.12 -1.26 -1.29 118.70 126.54 2joz s GLU 52 Ca -0.07 -1.25 0.00 0.00 0.36 0.00 0.00 54.97 54.01 2joz s GLU 52 Cb -0.11 -5.36 0.00 0.00 0.26 0.00 0.00 34.13 28.92 2joz s GLU 52 CO 0.00 -2.20 0.00 0.41 -0.54 0.00 0.00 175.26 172.94 2joz n GLY 53 N 6.66 1.90 0.10 -1.50 0.00 -1.26 -4.93 105.19 106.16 2joz n GLY 53 Ca 0.35 -0.18 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 2joz n GLY 53 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2joz n ARG 54 N 0.00 0.67 0.00 1.61 1.85 -1.21 -5.11 116.66 114.48 2joz n ARG 54 Ca 0.00 0.18 0.00 0.00 -1.00 0.00 0.00 57.85 57.03 2joz n ARG 54 Cb 0.00 -1.66 0.00 0.00 -1.05 0.00 0.00 32.46 29.75 2joz n ARG 54 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2joz n GLY 55 N 1.79 -2.48 3.64 2.89 0.00 -0.41 -4.85 105.19 105.77 2joz n GLY 55 Ca -0.28 -1.97 -0.43 0.00 0.00 0.00 0.00 46.02 43.34 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 -0.32 3.95 -0.09 1.61 8.01 -1.24 -3.51 118.70 127.11 2joz s GLU 56 Ca 0.00 1.98 0.03 0.00 0.01 0.00 0.00 54.97 56.98 2joz s GLU 56 Cb 0.00 -4.04 0.01 0.00 -4.31 0.00 0.00 34.13 25.79 2joz s GLU 56 CO 0.00 -1.12 -0.17 0.08 0.01 0.00 0.00 175.26 174.06 2joz s VAL 57 N 4.83 1.56 0.05 2.63 1.01 -0.71 -4.92 120.40 124.85 2joz s VAL 57 Ca 0.75 -0.71 -0.30 0.00 0.00 0.00 0.00 61.98 61.72 2joz s VAL 57 Cb -0.30 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.64 2joz s VAL 57 CO 0.30 0.45 1.02 -1.10 0.00 0.00 0.00 175.10 175.77 2joz s GLN 58 N 0.68 4.58 0.47 2.72 -0.21 -1.26 -0.83 119.66 125.82 2joz s GLN 58 Ca -0.13 1.51 -0.03 0.00 0.02 0.00 0.00 55.36 56.73 2joz s GLN 58 Cb -0.16 -3.40 -0.02 0.00 1.00 0.00 0.00 33.01 30.43 2joz s GLN 58 CO 0.03 -0.00 0.74 -0.51 -2.12 0.00 0.00 175.29 173.43 2joz s LEU 59 N 0.63 3.61 -0.25 2.90 1.43 0.15 -4.98 118.68 122.17 2joz s LEU 59 Ca 0.51 0.63 -0.40 0.00 -1.03 0.00 0.00 54.13 53.84 2joz s LEU 59 Cb -0.24 -3.52 -0.16 0.00 0.03 0.00 0.00 46.19 42.30 2joz s LEU 59 CO 0.29 -0.67 1.68 -2.65 0.23 0.00 0.00 176.35 175.23 2joz n PRO 60 N -2.20 1.04 -2.30 1.29 -0.02 -1.26 -4.43 135.00 127.11 2joz n PRO 60 Ca 0.01 0.38 -0.40 0.00 -2.02 0.00 0.00 63.50 61.47 2joz n PRO 60 Cb 0.56 -2.04 -0.03 0.00 -0.02 0.00 0.00 33.50 31.98 2joz n PRO 60 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2joz s PHE 61 N 3.11 3.25 0.05 6.00 -0.12 -1.26 -4.75 117.98 124.25 2joz s PHE 61 Ca 0.97 1.56 0.03 0.00 -0.05 0.00 0.00 56.93 59.44 2joz s PHE 61 Cb -1.10 -3.46 -0.04 0.00 -0.63 0.00 0.00 43.02 37.80 2joz s PHE 61 CO 0.65 -1.23 0.01 -1.64 -0.05 0.00 0.00 175.22 172.96 2joz s MET 62 N -1.81 2.69 0.29 1.99 -1.94 0.21 -4.91 119.30 115.81 2joz s MET 62 Ca 0.50 -0.72 -0.17 0.00 -1.71 0.00 0.00 55.69 53.59 2joz s MET 62 Cb -0.34 -2.62 -0.09 0.00 2.01 0.00 0.00 34.83 33.79 2joz s MET 62 CO 0.45 0.58 0.73 0.00 -0.01 0.00 0.00 175.02 176.77 2joz s ALA 63 N -1.22 3.35 0.04 3.03 0.00 -1.26 0.37 121.76 126.06 2joz s ALA 63 Ca 0.23 0.08 -0.07 0.00 0.00 0.00 0.00 51.96 52.21 2joz s ALA 63 Cb -0.12 -2.78 -0.00 0.00 0.00 0.00 0.00 23.12 20.21 2joz s ALA 63 CO 0.15 0.33 0.14 1.52 0.00 0.00 0.00 175.76 177.90 2joz s TYR 64 N -1.82 0.13 0.14 0.00 1.13 -1.24 -1.23 117.35 114.46 2joz s TYR 64 Ca 0.50 -0.40 0.06 0.00 -1.41 0.00 0.00 57.07 55.83 2joz s TYR 64 Cb -0.12 -0.09 -0.04 0.00 -1.10 0.00 0.00 41.96 40.60 2joz s TYR 64 CO 0.19 -0.39 -0.14 0.15 -2.51 0.00 0.00 175.55 172.84 2joz s LYS 65 N -2.56 1.12 -0.23 -3.49 1.02 0.30 -4.90 119.74 111.00 2joz s LYS 65 Ca -0.05 -1.35 -0.14 0.00 0.02 0.00 0.00 55.97 54.45 2joz s LYS 65 Cb -0.01 -0.98 -0.04 0.00 -0.52 0.00 0.00 37.83 36.28 2joz s LYS 65 CO -0.04 0.18 0.32 0.08 -0.92 0.00 0.00 175.35 174.97 2joz s VAL 66 N -2.39 5.25 -0.19 3.17 1.01 -1.26 -0.09 120.40 125.89 2joz s VAL 66 Ca 0.13 0.51 -0.23 0.00 0.00 0.00 0.00 61.98 62.39 2joz s VAL 66 Cb -0.04 -3.65 -0.20 0.00 0.00 0.00 0.00 36.38 32.49 2joz s VAL 66 CO 0.04 0.26 0.34 0.40 0.00 0.00 0.00 175.10 176.14 2joz h ILE 67 N 5.09 1.10 -3.75 2.22 2.04 -1.01 -3.48 117.51 119.73 2joz h ILE 67 Ca -0.36 -2.19 -0.12 0.00 1.00 0.00 0.00 64.86 63.20 2joz h ILE 67 Cb 1.16 2.44 -0.17 0.00 -0.74 0.00 0.00 36.82 39.52 2joz h ILE 67 CO 0.68 0.37 -0.47 -0.44 0.00 0.00 0.00 178.15 178.29 2joz s SER 68 N -6.68 0.14 -0.15 1.72 0.01 -0.65 -4.98 113.70 103.12 2joz s SER 68 Ca -0.26 -0.52 -0.07 0.00 1.31 0.00 0.00 55.95 56.41 2joz s SER 68 Cb 0.04 0.26 0.06 0.00 0.21 0.00 0.00 66.02 66.58 2joz s SER 68 CO 0.60 -0.56 0.34 -1.58 0.41 0.00 0.00 173.24 172.46 2joz s GLN 69 N -2.82 0.30 0.03 12.44 0.74 -1.26 -0.11 119.66 128.98 2joz s GLN 69 Ca -0.03 0.71 0.02 0.00 0.05 0.00 0.00 55.36 56.10 2joz s GLN 69 Cb 0.00 -0.04 -0.02 0.00 1.10 0.00 0.00 33.01 34.06 2joz s GLN 69 CO -0.05 -0.18 -0.06 0.45 -0.55 0.00 0.00 175.29 174.90 2joz s SER 70 N 1.50 0.70 0.32 6.67 0.15 -1.05 -4.97 113.70 117.02 2joz s SER 70 Ca -0.08 -0.41 0.18 0.00 0.70 0.00 0.00 55.95 56.34 2joz s SER 70 Cb -0.10 0.02 0.14 0.00 -1.71 0.00 0.00 66.02 64.37 2joz s SER 70 CO -0.11 -0.14 1.45 0.71 1.20 0.00 0.00 173.24 176.36 2joz h THR 71 N 4.67 0.53 0.00 6.45 1.35 -2.02 -3.40 112.91 120.49 2joz h THR 71 Ca -0.33 -1.76 0.00 0.00 -0.55 0.00 0.00 66.41 63.77 2joz h THR 71 Cb 1.20 2.23 0.00 0.00 -1.73 0.00 0.00 68.15 69.85 2joz h THR 71 CO 0.43 0.30 0.00 -0.90 -0.25 0.00 0.00 175.52 175.11 2joz n ASP 72 N -3.15 0.00 0.00 5.36 5.75 -1.26 -4.95 116.55 118.30 2joz n ASP 72 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.80 2joz n ASP 72 Cb 0.67 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.76 2joz n ASP 72 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2joz n GLY 73 N 0.00 1.21 3.52 6.12 0.00 -1.26 -4.84 105.19 109.95 2joz n GLY 73 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2joz n GLY 73 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2joz s SER 74 N -1.00 -0.49 -0.07 1.61 1.04 -1.26 -4.52 113.70 109.01 2joz s SER 74 Ca 0.00 0.36 0.03 0.00 0.48 0.00 0.00 55.95 56.81 2joz s SER 74 Cb 0.00 0.44 -0.02 0.00 0.10 0.00 0.00 66.02 66.54 2joz s SER 74 CO 0.00 -0.58 -0.14 -0.63 0.98 0.00 0.00 173.24 172.87 2joz s ILE 75 N -1.96 3.07 -0.14 -1.02 1.01 0.74 -2.53 121.20 120.37 2joz s ILE 75 Ca -0.03 -0.71 0.02 0.00 0.00 0.00 0.00 60.65 59.94 2joz s ILE 75 Cb -0.01 -2.22 0.01 0.00 0.01 0.00 0.00 42.46 40.26 2joz s ILE 75 CO -0.00 0.58 -0.21 -0.70 0.00 0.00 0.00 174.94 174.60 2joz s GLU 76 N -0.52 2.94 0.16 2.79 2.12 0.84 0.18 118.70 127.22 2joz s GLU 76 Ca 0.07 -0.83 0.06 0.00 0.36 0.00 0.00 54.97 54.64 2joz s GLU 76 Cb -0.12 -2.39 -0.04 0.00 0.26 0.00 0.00 34.13 31.84 2joz s GLU 76 CO 0.02 -0.02 -0.14 0.96 -0.54 0.00 0.00 175.26 175.53 2joz s ILE 77 N 0.84 1.49 0.03 -3.70 -4.36 -0.47 -0.33 121.20 114.69 2joz s ILE 77 Ca -0.07 -1.99 0.05 0.00 -0.26 0.00 0.00 60.65 58.38 2joz s ILE 77 Cb -0.15 -1.81 -0.02 0.00 1.25 0.00 0.00 42.46 41.73 2joz s ILE 77 CO -0.02 -0.54 -0.14 -1.58 0.24 0.00 0.00 174.94 172.90 2joz s GLN 78 N -3.26 0.97 0.71 0.37 0.74 0.87 0.43 119.66 120.49 2joz s GLN 78 Ca 0.16 -0.68 -0.09 0.00 0.05 0.00 0.00 55.36 54.80 2joz s GLN 78 Cb -0.02 -0.96 0.04 0.00 1.10 0.00 0.00 33.01 33.17 2joz s GLN 78 CO 0.04 0.25 1.06 0.71 -0.55 0.00 0.00 175.29 176.80 2joz s TYR 79 N -0.70 3.11 0.26 1.67 2.02 -1.00 -0.54 117.35 122.17 2joz s TYR 79 Ca 0.02 0.73 0.04 0.00 -0.37 0.00 0.00 57.07 57.50 2joz s TYR 79 Cb -0.07 -3.15 -0.06 0.00 -0.40 0.00 0.00 41.96 38.29 2joz s TYR 79 CO 0.01 -1.32 -0.00 -0.51 -1.57 0.00 0.00 175.55 172.15 2joz s LEU 80 N -5.31 2.24 0.00 -1.29 1.43 -0.37 -4.27 118.68 111.12 2joz s LEU 80 Ca 0.59 -1.25 0.00 0.00 -1.03 0.00 0.00 54.13 52.44 2joz s LEU 80 Cb -0.11 -0.38 0.00 0.00 0.03 0.00 0.00 46.19 45.73 2joz s LEU 80 CO 0.48 -0.50 0.00 0.61 0.23 0.00 0.00 176.35 177.17 2joz n GLY 81 N -0.52 -0.48 0.27 -3.19 0.00 -1.26 -4.38 105.19 95.63 2joz n GLY 81 Ca -0.04 -1.95 0.16 0.00 0.00 0.00 0.00 46.02 44.18 2joz n GLY 81 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2joz h PRO 82 N 0.00 0.00 -1.00 1.61 0.13 -2.02 -2.97 132.00 127.75 2joz h PRO 82 Ca 0.00 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.48 2joz h PRO 82 Cb 0.00 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 30.80 2joz h PRO 82 CO 0.00 0.07 0.41 0.66 -0.23 0.00 0.00 178.00 178.91 2joz n TYR 83 N -3.28 3.10 0.09 1.56 4.01 -1.26 -4.72 117.16 116.66 2joz n TYR 83 Ca -0.01 -2.79 -0.11 0.00 -0.16 0.00 0.00 57.90 54.83 2joz n TYR 83 Cb 0.27 -1.12 -0.08 0.00 -0.31 0.00 0.00 39.34 38.10 2joz n TYR 83 CO 0.00 0.00 0.00 0.10 -0.46 0.00 0.00 176.86 176.50 2joz h TYR 84 N 2.11 0.32 0.00 -0.72 -0.00 -1.70 -3.30 116.97 113.69 2joz h TYR 84 Ca 0.54 -0.21 0.00 0.00 -0.00 0.00 0.00 58.73 59.06 2joz h TYR 84 Cb 0.96 -0.02 0.00 0.00 -0.00 0.00 0.00 36.73 37.67 2joz h TYR 84 CO 1.26 1.09 0.00 -0.35 -0.00 0.00 0.00 178.16 180.16 2joz n PRO 85 N -3.56 0.45 -3.08 0.10 -0.04 -1.26 -4.06 135.00 123.55 2joz n PRO 85 Ca -0.05 0.05 -0.40 0.00 -0.04 0.00 0.00 63.50 63.07 2joz n PRO 85 Cb 0.91 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.81 2joz n PRO 85 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2joz s LEU 86 N -2.36 4.18 0.40 1.53 2.96 -1.24 -5.01 118.68 119.14 2joz s LEU 86 Ca 0.25 0.94 0.08 0.00 -0.22 0.00 0.00 54.13 55.18 2joz s LEU 86 Cb 0.15 -2.97 -0.04 0.00 0.50 0.00 0.00 46.19 43.83 2joz s LEU 86 CO 0.30 -0.26 0.22 -1.59 -1.32 0.00 0.00 176.35 173.71 2joz s LYS 87 N 1.71 2.33 0.04 1.98 -2.85 -1.26 -2.38 119.74 119.32 2joz s LYS 87 Ca 0.32 -1.71 0.01 0.00 -1.00 0.00 0.00 55.97 53.59 2joz s LYS 87 Cb -0.16 -2.12 -0.03 0.00 -2.06 0.00 0.00 37.83 33.46 2joz s LYS 87 CO 0.12 -0.09 -0.05 0.45 0.10 0.00 0.00 175.35 175.88 2joz s SER 88 N -3.95 0.59 0.01 0.03 0.15 0.17 -4.34 113.70 106.36 2joz s SER 88 Ca 0.42 -0.69 0.09 0.00 0.70 0.00 0.00 55.95 56.47 2joz s SER 88 Cb 0.01 0.10 -0.02 0.00 -1.71 0.00 0.00 66.02 64.40 2joz s SER 88 CO 0.24 -0.36 -0.26 -0.89 1.20 0.00 0.00 173.24 173.17 2joz s THR 89 N -2.25 2.09 -0.11 6.45 2.01 0.52 -1.37 115.64 122.99 2joz s THR 89 Ca -0.06 -1.25 0.01 0.00 0.31 0.00 0.00 61.69 60.70 2joz s THR 89 Cb -0.04 -1.76 0.02 0.00 0.01 0.00 0.00 72.50 70.72 2joz s THR 89 CO -0.03 0.47 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.47 2joz s LEU 90 N -0.94 1.65 0.21 4.42 1.43 0.13 0.06 118.68 125.63 2joz s LEU 90 Ca 0.11 -0.41 0.04 0.00 -1.03 0.00 0.00 54.13 52.84 2joz s LEU 90 Cb -0.10 -1.05 -0.05 0.00 0.03 0.00 0.00 46.19 45.02 2joz s LEU 90 CO 0.01 -0.01 -0.05 -0.54 0.23 0.00 0.00 176.35 175.99 2joz s LYS 91 N 1.11 1.27 0.19 1.70 1.02 0.66 -0.19 119.74 125.51 2joz s LYS 91 Ca -0.04 -1.61 -0.19 0.00 0.02 0.00 0.00 55.97 54.15 2joz s LYS 91 Cb -0.14 -0.70 -0.08 0.00 -0.52 0.00 0.00 37.83 36.39 2joz s LYS 91 CO -0.03 -0.01 0.68 1.03 -0.92 0.00 0.00 175.35 176.10 2joz s ARG 92 N -3.80 4.23 0.00 1.68 0.52 -1.26 0.44 118.95 120.76 2joz s ARG 92 Ca 0.24 0.81 0.00 0.00 -0.52 0.00 0.00 55.73 56.27 2joz s ARG 92 Cb 0.04 -2.96 0.00 0.00 0.52 0.00 0.00 34.95 32.55 2joz s ARG 92 CO 0.06 0.45 0.00 0.41 0.02 0.00 0.00 175.30 176.25 2joz n GLY 93 N 0.93 2.34 3.68 -3.53 0.00 0.08 -4.70 105.19 104.00 2joz n GLY 93 Ca -0.04 -1.83 -0.40 0.00 0.00 0.00 0.00 46.02 43.76 2joz n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2joz s GLU 94 N 4.20 4.28 3.44 1.61 2.56 -1.26 -4.76 118.70 128.76 2joz s GLU 94 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 54.97 55.60 2joz s GLU 94 Cb 0.00 -3.53 0.00 0.00 2.00 0.00 0.00 34.13 32.60 2joz s GLU 94 CO 0.00 -0.10 0.00 0.09 -0.56 0.00 0.00 175.26 174.69 2joz n ASN 95 N 4.54 -0.69 -2.43 -1.70 3.02 -1.26 -3.65 115.26 113.09 2joz n ASN 95 Ca -0.03 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.33 2joz n ASN 95 Cb 0.50 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.56 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 3.27 3.46 7.41 0.00 -1.26 -4.84 105.19 113.23 2joz n GLY 96 Ca 0.00 -1.22 -0.31 0.00 0.00 0.00 0.00 46.02 44.48 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 1.51 2.85 -0.12 2.61 -4.23 -1.24 -4.21 115.64 112.81 2joz s THR 97 Ca 0.64 -1.08 -0.02 0.00 -1.18 0.00 0.00 61.69 60.05 2joz s THR 97 Cb 0.26 -2.18 -0.03 0.00 1.34 0.00 0.00 72.50 71.89 2joz s THR 97 CO -0.02 0.39 -0.05 -0.22 -0.54 0.00 0.00 174.62 174.19 2joz s LEU 98 N -1.28 3.22 -0.41 4.79 2.96 -0.75 -0.74 118.68 126.47 2joz s LEU 98 Ca 0.14 -0.09 -0.16 0.00 -0.22 0.00 0.00 54.13 53.80 2joz s LEU 98 Cb -0.11 -1.75 0.02 0.00 0.50 0.00 0.00 46.19 44.86 2joz s LEU 98 CO 0.04 0.24 0.36 -0.63 -1.32 0.00 0.00 176.35 175.05 2joz s ILE 99 N -0.08 5.18 -0.31 6.68 1.01 0.17 -0.31 121.20 133.54 2joz s ILE 99 Ca 0.02 -0.49 -0.09 0.00 0.00 0.00 0.00 60.65 60.09 2joz s ILE 99 Cb -0.13 -3.97 0.00 0.00 0.01 0.00 0.00 42.46 38.37 2joz s ILE 99 CO 0.03 -0.35 0.13 0.86 0.00 0.00 0.00 174.94 175.61 2joz s TRP 100 N 1.89 3.17 -0.16 3.97 -0.00 0.63 -0.24 118.94 128.21 2joz s TRP 100 Ca 0.08 -0.77 -0.05 0.00 -0.00 0.00 0.00 56.10 55.36 2joz s TRP 100 Cb -0.18 -2.32 -0.03 0.00 -0.00 0.00 0.00 33.47 30.93 2joz s TRP 100 CO 0.12 -0.52 0.02 -1.21 -0.00 0.00 0.00 176.95 175.35 2joz s GLU 101 N 1.56 3.70 -0.17 5.86 2.02 0.11 0.55 118.70 132.33 2joz s GLU 101 Ca 0.04 -0.42 -0.12 0.00 0.02 0.00 0.00 54.97 54.49 2joz s GLU 101 Cb -0.17 -3.03 0.05 0.00 0.10 0.00 0.00 34.13 31.08 2joz s GLU 101 CO 0.05 0.34 0.42 -1.14 0.02 0.00 0.00 175.26 174.95 2joz s GLN 102 N 0.14 0.45 0.00 1.61 -0.44 -0.64 -0.35 119.66 120.43 2joz s GLN 102 Ca 0.02 0.69 0.00 0.00 -2.50 0.00 0.00 55.36 53.57 2joz s GLN 102 Cb -0.13 0.11 0.00 0.00 -1.64 0.00 0.00 33.01 31.36 2joz s GLN 102 CO 0.02 -0.11 0.00 -1.71 0.50 0.00 0.00 175.29 173.99 2joz n ASN 103 N 3.53 -4.78 0.00 6.67 2.85 -1.26 -1.03 115.26 121.25 2joz n ASN 103 Ca -0.18 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.29 2joz n ASN 103 Cb 0.56 -2.66 0.00 0.00 1.24 0.00 0.00 39.78 38.92 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 -0.19 0.78 3.36 8.20 0.00 -1.26 -5.08 105.19 111.01 2joz n GLY 104 Ca 0.00 -0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 2joz n GLY 104 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2joz s GLN 105 N -0.67 1.42 -0.21 1.61 -2.07 -0.19 -5.12 119.66 114.42 2joz s GLN 105 Ca 0.00 -1.27 -0.14 0.00 -1.82 0.00 0.00 55.36 52.13 2joz s GLN 105 Cb 0.00 -1.82 -0.04 0.00 -1.09 0.00 0.00 33.01 30.06 2joz s GLN 105 CO 0.00 0.44 0.32 0.50 -1.32 0.00 0.00 175.29 175.23 2joz s ARG 106 N -1.89 4.16 -0.06 9.60 3.52 -1.26 -1.62 118.95 131.40 2joz s ARG 106 Ca 0.12 0.06 0.02 0.00 -0.13 0.00 0.00 55.73 55.80 2joz s ARG 106 Cb -0.10 -3.52 -0.03 0.00 -1.56 0.00 0.00 34.95 29.74 2joz s ARG 106 CO 0.05 0.02 -0.09 0.15 -0.81 0.00 0.00 175.30 174.62 2joz s LYS 107 N 1.13 2.68 -0.32 5.12 -0.14 0.19 -4.99 119.74 123.42 2joz s LYS 107 Ca 0.16 -0.60 -0.09 0.00 -1.36 0.00 0.00 55.97 54.08 2joz s LYS 107 Cb -0.14 -2.52 0.00 0.00 -1.68 0.00 0.00 37.83 33.49 2joz s LYS 107 CO 0.06 0.64 0.14 0.99 -0.76 0.00 0.00 175.35 176.43 2joz s THR 108 N -0.76 4.45 -0.17 2.17 2.01 -1.26 -0.27 115.64 121.82 2joz s THR 108 Ca 0.12 -0.55 -0.08 0.00 0.31 0.00 0.00 61.69 61.49 2joz s THR 108 Cb -0.11 -3.31 -0.04 0.00 0.01 0.00 0.00 72.50 69.05 2joz s THR 108 CO 0.01 0.03 0.10 -0.04 -0.69 0.00 0.00 174.62 174.03 2joz s MET 109 N 1.58 3.84 -0.06 4.92 1.00 0.57 -4.59 119.30 126.57 2joz s MET 109 Ca 0.04 -0.26 -0.03 0.00 0.00 0.00 0.00 55.69 55.44 2joz s MET 109 Cb -0.17 -3.24 -0.04 0.00 0.00 0.00 0.00 34.83 31.38 2joz s MET 109 CO 0.05 0.44 0.10 0.95 0.00 0.00 0.00 175.02 176.57 2joz s THR 110 N -0.07 5.04 -0.01 2.05 -4.23 -1.01 -1.81 115.64 115.59 2joz s THR 110 Ca 0.08 -0.14 -0.27 0.00 -1.18 0.00 0.00 61.69 60.18 2joz s THR 110 Cb -0.12 -3.25 -0.04 0.00 1.34 0.00 0.00 72.50 70.44 2joz s THR 110 CO 0.00 0.48 0.87 -0.60 -0.54 0.00 0.00 174.62 174.83 2joz s ARG 111 N -1.40 4.52 0.48 3.99 3.52 -1.26 0.68 118.95 129.48 2joz s ARG 111 Ca 0.19 1.21 -0.24 0.00 -0.13 0.00 0.00 55.73 56.77 2joz s ARG 111 Cb -0.12 -3.44 -0.07 0.00 -1.56 0.00 0.00 34.95 29.76 2joz s ARG 111 CO 0.10 0.03 1.34 0.42 -0.81 0.00 0.00 175.30 176.38 2joz s ILE 112 N 0.81 2.31 -0.29 4.11 -1.09 -1.22 -4.83 121.20 121.00 2joz s ILE 112 Ca 0.46 0.26 -0.01 0.00 -2.23 0.00 0.00 60.65 59.13 2joz s ILE 112 Cb -0.20 -3.14 0.05 0.00 -1.58 0.00 0.00 42.46 37.59 2joz s ILE 112 CO 0.24 0.02 -0.02 -0.70 -1.23 0.00 0.00 174.94 173.25 2joz s GLU 113 N -2.61 2.39 -0.30 2.79 2.56 -1.26 -5.00 118.70 117.27 2joz s GLU 113 Ca 0.64 -1.28 -0.10 0.00 0.00 0.00 0.00 54.97 54.23 2joz s GLU 113 Cb -0.39 -3.13 0.18 0.00 2.00 0.00 0.00 34.13 32.79 2joz s GLU 113 CO 0.49 -0.61 0.96 0.45 -0.56 0.00 0.00 175.26 175.99 2joz s SER 114 N 1.23 -0.64 -0.12 -1.70 0.15 -1.26 -5.14 113.70 106.22 2joz s SER 114 Ca -0.06 0.30 -0.22 0.00 0.70 0.00 0.00 55.95 56.67 2joz s SER 114 Cb -0.20 1.49 -0.03 0.00 -1.71 0.00 0.00 66.02 65.57 2joz s SER 114 CO -0.02 -0.12 0.64 -0.54 1.20 0.00 0.00 173.24 174.41 2joz s LYS 115 N 2.93 4.35 0.16 5.44 1.02 -1.26 -4.71 119.74 127.69 2joz s LYS 115 Ca 0.09 0.73 0.00 0.00 0.02 0.00 0.00 55.97 56.81 2joz s LYS 115 Cb -0.09 -3.48 0.00 0.00 -0.52 0.00 0.00 37.83 33.74 2joz s LYS 115 CO -0.16 -0.01 0.00 2.41 -0.92 0.00 0.00 175.35 176.67 2joz n THR 116 N 4.03 -3.54 0.00 2.17 -1.04 -1.26 -5.06 114.28 109.59 2joz n THR 116 Ca -0.02 1.23 0.00 0.00 -2.04 0.00 0.00 64.05 63.21 2joz n THR 116 Cb 0.51 -2.25 0.00 0.00 -1.82 0.00 0.00 70.33 66.77 2joz n THR 116 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2joz n GLY 117 N 0.04 1.65 3.33 3.41 0.00 -1.26 -5.06 105.19 107.30 2joz n GLY 117 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2joz n GLY 117 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2joz s ARG 118 N 0.20 1.26 -0.17 1.61 1.70 -1.26 -5.04 118.95 117.25 2joz s ARG 118 Ca 0.00 -1.40 0.14 0.00 -0.47 0.00 0.00 55.73 54.00 2joz s ARG 118 Cb 0.00 -1.30 0.39 0.00 -0.57 0.00 0.00 34.95 33.47 2joz s ARG 118 CO 0.00 0.26 1.20 -0.85 -1.08 0.00 0.00 175.30 174.83 2joz n GLU 119 N 0.31 1.34 -2.17 3.89 0.28 -1.26 -4.94 120.64 118.09 2joz n GLU 119 Ca -0.13 -2.99 -0.31 0.00 -0.16 0.00 0.00 57.16 53.57 2joz n GLU 119 Cb 0.57 -1.42 -0.05 0.00 1.43 0.00 0.00 31.44 31.97 2joz n GLU 119 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2joz s GLU 120 N -2.79 2.80 -0.34 3.44 2.02 -1.26 -4.90 118.70 117.68 2joz s GLU 120 Ca 0.36 -0.95 -0.01 0.00 0.02 0.00 0.00 54.97 54.38 2joz s GLU 120 Cb 0.35 -5.23 0.07 0.00 0.10 0.00 0.00 34.13 29.42 2joz s GLU 120 CO -0.06 -3.39 0.06 0.21 0.02 0.00 0.00 175.26 172.10 2joz s LYS 121 N 6.24 2.19 -0.29 1.61 2.20 -1.26 -5.04 119.74 125.40 2joz s LYS 121 Ca 0.65 -1.51 -0.19 0.00 -0.36 0.00 0.00 55.97 54.57 2joz s LYS 121 Cb -0.02 -3.30 0.14 0.00 -1.51 0.00 0.00 37.83 33.14 2joz s LYS 121 CO 0.05 -0.79 1.00 0.34 -0.36 0.00 0.00 175.35 175.59 2joz s ASP 122 N 1.39 -0.49 -0.16 1.43 2.15 -1.26 -5.17 116.67 114.56 2joz s ASP 122 Ca 0.01 0.82 -0.09 0.00 0.43 0.00 0.00 52.55 53.72 2joz s ASP 122 Cb -0.21 1.09 0.06 0.00 -0.30 0.00 0.00 42.92 43.56 2joz s ASP 122 CO -0.03 -0.13 0.39 -0.70 -0.17 0.00 0.00 175.17 174.53 2joz s GLU 123 N 1.01 0.38 -0.41 4.34 2.12 -1.26 -5.10 118.70 119.79 2joz s GLU 123 Ca -0.05 0.74 0.01 0.00 0.36 0.00 0.00 54.97 56.03 2joz s GLU 123 Cb -0.04 -0.01 0.13 0.00 0.26 0.00 0.00 34.13 34.46 2joz s GLU 123 CO -0.13 -0.15 0.20 0.15 -0.54 0.00 0.00 175.26 174.80 2joz s LYS 124 N 1.29 1.14 -0.74 4.30 3.01 -1.26 -5.08 119.74 122.39 2joz s LYS 124 Ca -0.09 -1.78 -0.26 0.00 -1.01 0.00 0.00 55.97 52.84 2joz s LYS 124 Cb -0.08 -2.23 -0.02 0.00 -1.01 0.00 0.00 37.83 34.48 2joz s LYS 124 CO -0.11 -1.12 1.84 -1.12 0.51 0.00 0.00 175.35 175.34 2joz s SER 125 N 0.66 5.34 -0.38 2.83 0.01 -1.26 -4.94 113.70 115.96 2joz s SER 125 Ca 0.16 -0.16 -0.29 0.00 1.31 0.00 0.00 55.95 56.97 2joz s SER 125 Cb -0.23 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 63.47 2joz s SER 125 CO -0.05 -2.44 1.22 -0.54 0.41 0.00 0.00 173.24 171.85 2joz s LYS 126 N 6.85 3.83 -0.12 12.44 -0.14 -1.26 -5.01 119.74 136.33 2joz s LYS 126 Ca 0.65 0.95 0.03 0.00 -1.36 0.00 0.00 55.97 56.23 2joz s LYS 126 Cb -0.10 -3.88 0.01 0.00 -1.68 0.00 0.00 37.83 32.18 2joz s LYS 126 CO 0.11 -1.23 -0.20 -1.54 -0.76 0.00 0.00 175.35 171.72 2joz s SER 127 N 2.64 2.91 -0.33 2.83 1.04 -1.26 -5.09 113.70 116.44 2joz s SER 127 Ca 0.52 -0.55 -0.05 0.00 0.48 0.00 0.00 55.95 56.36 2joz s SER 127 Cb -0.12 -1.34 0.05 0.00 0.10 0.00 0.00 66.02 64.71 2joz s SER 127 CO 0.26 0.08 0.08 -0.22 0.98 0.00 0.00 173.24 174.42 2joz s LEU 128 N 0.76 4.27 -0.35 2.42 2.96 -1.26 -5.07 118.68 122.41 2joz s LEU 128 Ca -0.09 -1.26 -0.15 0.00 -0.22 0.00 0.00 54.13 52.41 2joz s LEU 128 Cb -0.16 -1.82 -0.01 0.00 0.50 0.00 0.00 46.19 44.70 2joz s LEU 128 CO 0.00 -0.33 0.35 -0.70 -1.32 0.00 0.00 176.35 174.36 2joz s GLU 129 N 1.34 3.51 -0.09 1.98 2.56 -1.26 -5.05 118.70 121.68 2joz s GLU 129 Ca -0.02 -0.49 0.04 0.00 0.00 0.00 0.00 54.97 54.50 2joz s GLU 129 Cb -0.20 -3.82 0.00 0.00 2.00 0.00 0.00 34.13 32.11 2joz s GLU 129 CO 0.01 -0.54 -0.22 -1.58 -0.56 0.00 0.00 175.26 172.36 2joz s HIS 130 N 1.98 2.38 -0.24 5.30 5.65 -1.26 -5.10 115.29 124.00 2joz s HIS 130 Ca 0.11 -0.93 -0.01 0.00 0.25 0.00 0.00 55.06 54.47 2joz s HIS 130 Cb -0.17 -1.60 0.07 0.00 -1.18 0.00 0.00 32.58 29.71 2joz s HIS 130 CO 0.12 -0.37 0.03 -1.01 -0.65 0.00 0.00 174.74 172.86 2joz s HIS 131 N 0.32 1.56 -0.29 3.88 3.76 -1.26 -5.07 115.29 118.19 2joz s HIS 131 Ca -0.16 -1.34 0.00 0.00 -0.15 0.00 0.00 55.06 53.41 2joz s HIS 131 Cb -0.17 -1.37 0.14 0.00 1.11 0.00 0.00 32.58 32.29 2joz s HIS 131 CO 0.08 -0.73 0.34 -1.58 -0.85 0.00 0.00 174.74 171.99 2joz s HIS 132 N 1.68 -0.67 -0.32 1.40 2.46 -1.26 -5.10 115.29 113.49 2joz s HIS 132 Ca 0.01 0.05 0.00 0.00 0.47 0.00 0.00 55.06 55.59 2joz s HIS 132 Cb -0.18 -0.34 0.14 0.00 -0.13 0.00 0.00 32.58 32.08 2joz s HIS 132 CO -0.13 -0.93 0.29 -1.58 -2.47 0.00 0.00 174.74 169.92 2joz s HIS 133 N 2.43 -0.26 -0.33 3.88 5.04 -1.26 -5.11 115.29 119.68 2joz s HIS 133 Ca 0.10 -0.52 -0.16 0.00 -1.54 0.00 0.00 55.06 52.94 2joz s HIS 133 Cb -0.13 -0.52 -0.01 0.00 0.04 0.00 0.00 32.58 31.95 2joz s HIS 133 CO -0.31 -0.92 0.41 -1.58 -2.34 0.00 0.00 174.74 170.00 2joz s HIS 134 N 2.00 3.21 -2.61 3.88 2.46 -1.26 -5.37 115.29 117.59 2joz s HIS 134 Ca 0.12 0.12 0.27 0.00 0.47 0.00 0.00 55.06 56.04 2joz s HIS 134 Cb -0.15 -2.73 0.85 0.00 -0.13 0.00 0.00 32.58 30.42 2joz s HIS 134 CO -0.23 -0.43 1.63 -2.39 -2.47 0.00 0.00 174.74 170.85