#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2joz n ILE 2 N 0.00 -9.66 0.66 1.12 2.08 -1.26 -4.95 119.36 107.35 2joz n ILE 2 Ca 0.00 1.37 0.12 0.00 0.56 0.00 0.00 62.75 64.80 2joz n ILE 2 Cb 0.00 -6.28 0.19 0.00 -0.75 0.00 0.00 39.64 32.81 2joz n ILE 2 CO 0.00 0.00 0.00 0.80 0.56 0.00 0.00 176.55 177.91 2joz n MET 3 N 0.47 0.23 -2.86 0.38 0.00 -1.26 -4.99 117.12 109.09 2joz n MET 3 Ca 0.01 0.07 -0.02 0.00 -0.00 0.00 0.00 57.70 57.76 2joz n MET 3 Cb 0.03 -1.65 0.00 0.00 0.00 0.00 0.00 33.22 31.60 2joz n MET 3 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 2joz n VAL 4 N -1.99 -9.57 -2.60 1.12 0.31 -1.26 -4.89 118.33 99.46 2joz n VAL 4 Ca 0.04 0.05 -0.42 0.00 -0.01 0.00 0.00 64.34 64.00 2joz n VAL 4 Cb 0.42 -6.72 -0.02 0.00 -0.91 0.00 0.00 33.84 26.61 2joz n VAL 4 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2joz s SER 5 N -2.79 6.45 0.11 4.52 0.01 -1.26 -5.00 113.70 115.74 2joz s SER 5 Ca 0.06 0.11 0.07 0.00 1.31 0.00 0.00 55.95 57.50 2joz s SER 5 Cb -0.02 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.63 2joz s SER 5 CO 0.68 -1.45 -0.11 -0.83 0.41 0.00 0.00 173.24 171.94 2joz s GLY 6 N 2.92 1.78 -0.09 3.44 0.00 -1.26 -5.13 107.32 108.98 2joz s GLY 6 Ca 0.43 -1.28 -0.00 0.00 0.00 0.00 0.00 44.72 43.87 2joz s GLY 6 CO 0.26 -1.26 -0.06 0.00 0.00 0.00 0.00 173.10 172.03 2joz n GLN 8 N 4.74 1.94 -3.61 0.00 6.02 -1.26 -4.75 117.38 120.46 2joz n GLN 8 Ca -0.14 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.64 2joz n GLN 8 Cb 0.50 0.00 0.06 0.00 1.02 0.00 0.00 30.24 31.82 2joz n GLN 8 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2joz n GLN 9 N -0.42 -5.79 -1.51 -1.09 1.13 -1.26 -4.79 117.38 103.64 2joz n GLN 9 Ca 0.00 0.72 -0.49 0.00 -1.94 0.00 0.00 57.00 55.29 2joz n GLN 9 Cb 0.00 -5.50 -0.06 0.00 0.11 0.00 0.00 30.24 24.79 2joz n GLN 9 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 2joz n GLN 10 N -4.30 1.41 -2.36 -1.09 7.27 -1.26 -4.91 117.38 112.14 2joz n GLN 10 Ca -0.25 0.41 -0.42 0.00 0.07 0.00 0.00 57.00 56.81 2joz n GLN 10 Cb 0.66 -2.66 -0.03 0.00 2.41 0.00 0.00 30.24 30.61 2joz n GLN 10 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 2joz s LYS 11 N 5.96 4.41 0.16 3.69 2.20 -1.26 -4.93 119.74 129.96 2joz s LYS 11 Ca 1.05 1.85 -0.31 0.00 -0.36 0.00 0.00 55.97 58.20 2joz s LYS 11 Cb -0.72 -3.31 -0.11 0.00 -1.51 0.00 0.00 37.83 32.18 2joz s LYS 11 CO 0.46 -0.29 1.71 -2.00 -0.36 0.00 0.00 175.35 174.88 2joz s GLU 12 N 0.95 4.16 0.10 4.03 2.12 -1.26 -5.00 118.70 123.80 2joz s GLU 12 Ca 0.60 2.51 0.00 0.00 0.36 0.00 0.00 54.97 58.44 2joz s GLU 12 Cb -0.32 -3.31 -0.04 0.00 0.26 0.00 0.00 34.13 30.72 2joz s GLU 12 CO 0.30 -0.74 -0.02 -2.00 -0.54 0.00 0.00 175.26 172.26 2joz s GLU 13 N 1.81 0.82 -0.02 4.30 2.56 -1.26 -5.13 118.70 121.78 2joz s GLU 13 Ca 0.75 -1.35 -0.30 0.00 0.00 0.00 0.00 54.97 54.07 2joz s GLU 13 Cb -0.46 0.03 -0.05 0.00 2.00 0.00 0.00 34.13 35.65 2joz s GLU 13 CO 0.33 -0.12 1.35 0.99 -0.56 0.00 0.00 175.26 177.25 2joz s THR 14 N -3.83 3.87 0.05 -1.70 2.01 -1.26 -4.96 115.64 109.82 2joz s THR 14 Ca 0.15 1.22 -0.31 0.00 0.31 0.00 0.00 61.69 63.06 2joz s THR 14 Cb 0.07 -3.78 -0.10 0.00 0.01 0.00 0.00 72.50 68.69 2joz s THR 14 CO -0.04 -0.01 1.90 -2.65 -0.69 0.00 0.00 174.62 173.13 2joz n PRO 15 N 5.46 2.72 0.14 4.92 -0.02 -1.26 -4.87 135.00 142.10 2joz n PRO 15 Ca 0.13 1.00 0.12 0.00 -2.02 0.00 0.00 63.50 62.72 2joz n PRO 15 Cb 0.44 -2.91 0.52 0.00 -0.02 0.00 0.00 33.50 31.54 2joz n PRO 15 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 2joz n PHE 16 N 6.59 0.83 1.01 6.00 -1.74 -1.26 -1.91 117.46 126.98 2joz n PHE 16 Ca 0.20 0.35 0.11 0.00 -0.56 0.00 0.00 57.45 57.54 2joz n PHE 16 Cb 0.37 -1.06 -0.05 0.00 1.52 0.00 0.00 39.48 40.27 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 -2.28 0.00 -2.86 2.97 4.11 -1.26 -4.96 117.16 112.88 2joz n TYR 17 Ca 0.01 0.00 -0.40 0.00 -0.00 0.00 0.00 57.90 57.52 2joz n TYR 17 Cb 0.19 -0.02 -0.06 0.00 -0.00 0.00 0.00 39.34 39.45 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 -2.85 3.94 -0.27 -3.48 5.04 -0.80 -4.71 117.35 114.22 2joz s TYR 18 Ca 0.11 1.78 0.00 0.00 -2.44 0.00 0.00 57.07 56.52 2joz s TYR 18 Cb 0.17 -2.88 0.00 0.00 0.35 0.00 0.00 41.96 39.60 2joz s TYR 18 CO 0.77 0.48 0.00 0.41 -1.34 0.00 0.00 175.55 175.87 2joz n GLY 19 N 1.50 0.29 3.27 8.97 0.00 -1.22 -4.97 105.19 113.02 2joz n GLY 19 Ca -0.04 -2.04 -0.32 0.00 0.00 0.00 0.00 46.02 43.63 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 -0.22 2.14 0.02 2.61 2.01 -1.26 -0.54 115.64 120.39 2joz s THR 20 Ca 0.00 -1.03 0.06 0.00 0.31 0.00 0.00 61.69 61.03 2joz s THR 20 Cb 0.00 -1.79 -0.02 0.00 0.01 0.00 0.00 72.50 70.70 2joz s THR 20 CO 0.00 0.57 -0.19 0.26 -0.69 0.00 0.00 174.62 174.57 2joz s TRP 21 N -0.07 1.64 -0.27 4.92 0.52 0.82 -3.84 118.94 122.66 2joz s TRP 21 Ca -0.06 -0.34 -0.15 0.00 0.02 0.00 0.00 56.10 55.57 2joz s TRP 21 Cb -0.15 -1.01 -0.04 0.00 -1.15 0.00 0.00 33.47 31.12 2joz s TRP 21 CO 0.05 0.03 0.36 0.34 0.02 0.00 0.00 176.95 177.74 2joz s ASP 22 N -0.81 6.23 -1.13 2.95 2.15 -0.16 -0.91 116.67 124.99 2joz s ASP 22 Ca 0.06 0.26 -0.09 0.00 0.43 0.00 0.00 52.55 53.21 2joz s ASP 22 Cb -0.08 -2.20 0.27 0.00 -0.30 0.00 0.00 42.92 40.61 2joz s ASP 22 CO 0.01 -0.17 1.20 -1.84 -0.17 0.00 0.00 175.17 174.19 2joz n GLU 23 N 5.30 3.59 0.00 4.34 0.28 -0.63 0.87 120.64 134.39 2joz n GLU 23 Ca -0.09 -4.37 0.06 0.00 -0.16 0.00 0.00 57.16 52.60 2joz n GLU 23 Cb 0.51 -2.62 0.30 0.00 1.43 0.00 0.00 31.44 31.06 2joz n GLU 23 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2joz n GLY 24 N 2.76 -0.84 3.85 -1.84 0.00 -1.25 -4.15 105.19 103.72 2joz n GLY 24 Ca 0.26 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.80 3.37 0.44 1.61 3.00 -1.25 -4.92 118.95 118.40 2joz s ARG 25 Ca 0.09 -0.18 0.00 0.00 -1.00 0.00 0.00 55.73 54.64 2joz s ARG 25 Cb 0.09 -3.13 0.00 0.00 0.00 0.00 0.00 34.95 31.91 2joz s ARG 25 CO 0.22 0.76 0.00 0.00 0.00 0.00 0.00 175.30 176.28 2joz n ALA 26 N 1.95 -1.78 -1.98 6.12 0.00 -1.26 -4.76 120.51 118.80 2joz n ALA 26 Ca -0.19 0.37 -0.22 0.00 0.00 0.00 0.00 53.44 53.40 2joz n ALA 26 Cb 0.55 -1.25 0.06 0.00 0.00 0.00 0.00 19.45 18.81 2joz n ALA 26 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2joz s PRO 27 N -4.52 2.27 0.00 0.00 0.04 -1.26 -4.82 135.00 126.71 2joz s PRO 27 Ca 0.00 -0.91 0.00 0.00 0.04 0.00 0.00 61.00 60.13 2joz s PRO 27 Cb 0.00 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 32.10 2joz s PRO 27 CO 0.00 -0.94 0.00 0.41 0.04 0.00 0.00 177.00 176.51 2joz n GLY 28 N -2.49 0.42 3.48 0.56 0.00 -1.26 -5.03 105.19 100.86 2joz n GLY 28 Ca 0.10 -1.64 -0.31 0.00 0.00 0.00 0.00 46.02 44.17 2joz n GLY 28 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2joz n PRO 29 N 0.00 -1.07 0.00 1.61 -0.04 -1.26 -4.86 135.00 129.38 2joz n PRO 29 Ca 0.00 -0.27 0.09 0.00 -0.04 0.00 0.00 63.50 63.28 2joz n PRO 29 Cb 0.00 -2.05 0.52 0.00 -0.04 0.00 0.00 33.50 31.93 2joz n PRO 29 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2joz n THR 30 N -4.25 0.00 -0.18 0.52 -1.04 -1.26 -3.43 114.28 104.63 2joz n THR 30 Ca 0.06 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.99 2joz n THR 30 Cb 0.55 -0.51 0.01 0.00 -1.82 0.00 0.00 70.33 68.57 2joz n THR 30 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 2joz h ASP 31 N 0.00 0.75 0.00 8.00 1.82 -2.04 -3.46 116.42 121.49 2joz h ASP 31 Ca 0.00 -0.20 0.00 0.00 -0.39 0.00 0.00 57.03 56.44 2joz h ASP 31 Cb 0.00 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 39.81 2joz h ASP 31 CO 0.00 0.75 0.00 0.61 -1.61 0.00 0.00 179.24 178.99 2joz n GLY 32 N -0.72 -0.56 3.79 -0.78 0.00 -1.22 -5.13 105.19 100.58 2joz n GLY 32 Ca 0.02 -0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 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 5.41 -0.01 1.61 1.01 -1.25 -4.05 120.40 123.13 2joz s VAL 33 Ca 0.00 0.18 -0.16 0.00 0.00 0.00 0.00 61.98 62.01 2joz s VAL 33 Cb 0.00 -3.42 -0.34 0.00 0.00 0.00 0.00 36.38 32.63 2joz s VAL 33 CO 0.00 0.52 0.88 0.11 0.00 0.00 0.00 175.10 176.61 2joz h LYS 34 N 5.89 0.46 -2.36 2.72 1.79 -1.44 -3.40 116.57 120.24 2joz h LYS 34 Ca -0.47 -0.79 0.14 0.00 -2.18 0.00 0.00 60.65 57.35 2joz h LYS 34 Cb 1.19 0.29 -0.11 0.00 -1.58 0.00 0.00 32.23 32.02 2joz h LYS 34 CO 0.67 1.38 0.47 -1.12 -1.08 0.00 0.00 179.45 179.78 2joz s SER 35 N -7.41 -0.26 0.06 0.86 0.01 -1.24 -4.91 113.70 100.80 2joz s SER 35 Ca -0.12 -0.24 0.04 0.00 1.31 0.00 0.00 55.95 56.94 2joz s SER 35 Cb 0.04 0.46 -0.03 0.00 0.21 0.00 0.00 66.02 66.70 2joz s SER 35 CO 0.90 -0.81 -0.13 0.00 0.41 0.00 0.00 173.24 173.61 2joz s ALA 36 N -3.25 1.05 -0.04 1.44 0.00 -1.26 -1.04 121.76 118.65 2joz s ALA 36 Ca 0.09 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.17 2joz s ALA 36 Cb -0.01 -0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.03 2joz s ALA 36 CO -0.02 0.14 -0.06 0.95 0.00 0.00 0.00 175.76 176.77 2joz s THR 37 N -1.16 0.64 -0.06 0.00 -4.23 0.53 -1.60 115.64 109.76 2joz s THR 37 Ca -0.02 -0.21 0.02 0.00 -1.18 0.00 0.00 61.69 60.30 2joz s THR 37 Cb -0.09 -0.62 -0.03 0.00 1.34 0.00 0.00 72.50 73.10 2joz s THR 37 CO 0.02 0.23 -0.12 0.54 -0.54 0.00 0.00 174.62 174.75 2joz s VAL 38 N 0.68 3.29 -0.11 2.29 0.11 -0.09 -0.45 120.40 126.12 2joz s VAL 38 Ca -0.10 -0.64 0.03 0.00 -2.93 0.00 0.00 61.98 58.35 2joz s VAL 38 Cb -0.13 -2.31 -0.00 0.00 -1.53 0.00 0.00 36.38 32.41 2joz s VAL 38 CO 0.01 0.59 -0.23 -0.89 -3.33 0.00 0.00 175.10 171.25 2joz s THR 39 N -0.71 2.16 -0.30 5.04 2.01 0.75 -0.13 115.64 124.46 2joz s THR 39 Ca 0.11 -0.98 -0.11 0.00 0.31 0.00 0.00 61.69 61.02 2joz s THR 39 Cb -0.11 -1.84 -0.03 0.00 0.01 0.00 0.00 72.50 70.54 2joz s THR 39 CO 0.01 0.55 0.18 -0.36 -0.69 0.00 0.00 174.62 174.31 2joz s PHE 40 N 0.40 3.19 0.44 4.92 0.08 0.29 -0.79 117.98 126.52 2joz s PHE 40 Ca -0.17 -0.21 0.07 0.00 0.12 0.00 0.00 56.93 56.74 2joz s PHE 40 Cb -0.17 -2.38 0.07 0.00 -0.57 0.00 0.00 43.02 39.96 2joz s PHE 40 CO 0.07 -0.31 0.55 0.25 -0.10 0.00 0.00 175.22 175.68 2joz n THR 41 N 5.04 0.00 -0.21 0.64 -2.24 -0.42 -3.44 114.28 113.65 2joz n THR 41 Ca -0.14 -1.51 -0.08 0.00 -2.27 0.00 0.00 64.05 60.06 2joz n THR 41 Cb 0.51 -0.54 -0.03 0.00 -2.10 0.00 0.00 70.33 68.17 2joz n THR 41 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2joz h GLU 42 N 0.00 -0.20 0.00 -0.78 4.81 -2.02 -3.31 114.58 113.07 2joz h GLU 42 Ca -0.22 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 2joz h GLU 42 Cb 0.95 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.38 2joz h GLU 42 CO 0.32 -0.14 0.00 -3.47 -0.73 0.00 0.00 179.01 174.99 2joz n ASP 43 N -5.41 0.38 -4.46 1.04 2.03 -1.26 -5.05 116.55 103.81 2joz n ASP 43 Ca 0.02 -0.72 -0.25 0.00 0.52 0.00 0.00 54.79 54.36 2joz n ASP 43 Cb 0.35 0.26 -0.11 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 -0.26 1.66 -0.22 -0.67 8.01 -1.25 -2.54 118.70 123.42 2joz s GLU 44 Ca 0.00 -1.62 -0.01 0.00 0.01 0.00 0.00 54.97 53.35 2joz s GLU 44 Cb 0.00 -1.84 0.02 0.00 -4.31 0.00 0.00 34.13 28.00 2joz s GLU 44 CO 0.00 0.37 -0.11 0.08 0.01 0.00 0.00 175.26 175.61 2joz s VAL 45 N -2.09 2.63 -0.20 2.63 1.01 0.26 -1.29 120.40 123.35 2joz s VAL 45 Ca 0.26 -0.94 -0.05 0.00 0.00 0.00 0.00 61.98 61.25 2joz s VAL 45 Cb -0.07 -2.25 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 2joz s VAL 45 CO 0.13 0.35 0.00 -0.69 0.00 0.00 0.00 175.10 174.89 2joz s VAL 46 N 1.33 3.94 -0.13 2.92 1.01 0.03 -0.98 120.40 128.52 2joz s VAL 46 Ca 0.02 -0.31 -0.06 0.00 0.00 0.00 0.00 61.98 61.63 2joz s VAL 46 Cb -0.15 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 2joz s VAL 46 CO -0.07 0.42 0.08 -1.61 0.00 0.00 0.00 175.10 173.92 2joz s GLU 47 N 1.05 3.53 -0.16 2.72 2.02 -1.26 -0.18 118.70 126.42 2joz s GLU 47 Ca 0.02 -0.27 0.00 0.00 0.02 0.00 0.00 54.97 54.75 2joz s GLU 47 Cb -0.14 -3.11 0.03 0.00 0.10 0.00 0.00 34.13 31.01 2joz s GLU 47 CO 0.02 0.59 -0.09 0.95 0.02 0.00 0.00 175.26 176.74 2joz s THR 48 N -0.50 1.34 -0.17 3.63 -4.23 0.40 -2.17 115.64 113.94 2joz s THR 48 Ca 0.11 -0.67 -0.04 0.00 -1.18 0.00 0.00 61.69 59.90 2joz s THR 48 Cb -0.12 -1.40 -0.03 0.00 1.34 0.00 0.00 72.50 72.29 2joz s THR 48 CO 0.02 0.26 -0.02 -1.61 -0.54 0.00 0.00 174.62 172.73 2joz s GLU 49 N 1.55 3.69 -0.38 3.99 2.02 -0.82 -0.35 118.70 128.41 2joz s GLU 49 Ca 0.02 -0.50 -0.22 0.00 0.02 0.00 0.00 54.97 54.29 2joz s GLU 49 Cb -0.14 -2.99 0.01 0.00 0.10 0.00 0.00 34.13 31.10 2joz s GLU 49 CO -0.09 0.19 0.71 0.08 0.02 0.00 0.00 175.26 176.17 2joz s VAL 50 N 0.53 4.80 -0.08 2.63 1.01 -0.21 -1.40 120.40 127.67 2joz s VAL 50 Ca -0.02 0.63 0.04 0.00 0.00 0.00 0.00 61.98 62.63 2joz s VAL 50 Cb -0.14 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.08 2joz s VAL 50 CO 0.02 -0.43 -0.20 -0.04 0.00 0.00 0.00 175.10 174.46 2joz s MET 51 N 2.92 2.52 0.19 2.72 -1.94 -0.38 -0.94 119.30 124.40 2joz s MET 51 Ca 0.27 -0.72 -0.31 0.00 -1.71 0.00 0.00 55.69 53.22 2joz s MET 51 Cb -0.14 -1.97 -0.10 0.00 2.01 0.00 0.00 34.83 34.63 2joz s MET 51 CO 0.17 0.15 1.53 -2.00 -0.01 0.00 0.00 175.02 174.86 2joz s GLU 52 N 0.39 4.22 0.00 2.03 2.56 -1.26 0.08 118.70 126.73 2joz s GLU 52 Ca -0.16 2.35 0.00 0.00 0.00 0.00 0.00 54.97 57.16 2joz s GLU 52 Cb -0.17 -3.14 0.00 0.00 2.00 0.00 0.00 34.13 32.83 2joz s GLU 52 CO 0.07 -0.56 0.00 0.41 -0.56 0.00 0.00 175.26 174.62 2joz n GLY 53 N 3.28 2.28 0.00 -1.50 0.00 -1.26 -4.75 105.19 103.23 2joz n GLY 53 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.08 2.14 0.00 1.61 1.85 -0.98 -5.14 116.66 116.06 2joz n ARG 54 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2joz n ARG 54 Cb 0.00 -0.94 0.00 0.00 -1.05 0.00 0.00 32.46 30.47 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 2.90 -0.26 3.73 2.89 0.00 0.11 -4.90 105.19 109.66 2joz n GLY 55 Ca 0.00 -1.82 -0.41 0.00 0.00 0.00 0.00 46.02 43.79 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 0.00 4.42 -0.13 1.61 8.01 -1.26 -1.25 118.70 130.10 2joz s GLU 56 Ca 0.00 1.96 0.02 0.00 0.01 0.00 0.00 54.97 56.96 2joz s GLU 56 Cb 0.00 -3.23 0.02 0.00 -4.31 0.00 0.00 34.13 26.60 2joz s GLU 56 CO 0.00 -0.23 -0.16 0.08 0.01 0.00 0.00 175.26 174.96 2joz s VAL 57 N 0.31 1.64 -0.27 2.63 1.01 -0.49 -4.92 120.40 120.30 2joz s VAL 57 Ca 0.57 -0.72 -0.24 0.00 0.00 0.00 0.00 61.98 61.59 2joz s VAL 57 Cb -0.34 -1.50 -0.00 0.00 0.00 0.00 0.00 36.38 34.53 2joz s VAL 57 CO 0.35 0.47 0.81 -1.10 0.00 0.00 0.00 175.10 175.64 2joz s GLN 58 N 1.08 4.08 0.51 2.72 -0.21 -1.26 -1.94 119.66 124.64 2joz s GLN 58 Ca -0.03 0.78 -0.07 0.00 0.02 0.00 0.00 55.36 56.06 2joz s GLN 58 Cb -0.14 -3.68 -0.04 0.00 1.00 0.00 0.00 33.01 30.14 2joz s GLN 58 CO -0.04 -0.60 0.84 -0.51 -2.12 0.00 0.00 175.29 172.86 2joz s LEU 59 N 2.92 3.56 -0.28 2.90 1.43 -0.92 -4.98 118.68 123.31 2joz s LEU 59 Ca 0.34 1.06 -0.36 0.00 -1.03 0.00 0.00 54.13 54.13 2joz s LEU 59 Cb -0.15 -4.03 -0.12 0.00 0.03 0.00 0.00 46.19 41.93 2joz s LEU 59 CO 0.10 -0.63 2.03 -2.65 0.23 0.00 0.00 176.35 175.43 2joz n PRO 60 N -2.29 1.34 -2.27 1.29 -0.02 -1.26 -4.61 135.00 127.19 2joz n PRO 60 Ca 0.02 0.43 -0.37 0.00 -2.02 0.00 0.00 63.50 61.56 2joz n PRO 60 Cb 0.55 -2.43 -0.01 0.00 -0.02 0.00 0.00 33.50 31.58 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 5.81 2.87 0.11 6.00 -0.12 -1.26 -4.91 117.98 126.48 2joz s PHE 61 Ca 1.03 1.54 -0.05 0.00 -0.05 0.00 0.00 56.93 59.41 2joz s PHE 61 Cb -0.86 -3.36 -0.05 0.00 -0.63 0.00 0.00 43.02 38.11 2joz s PHE 61 CO 0.53 -1.48 0.34 -1.64 -0.05 0.00 0.00 175.22 172.92 2joz s MET 62 N -2.74 3.60 -0.12 1.99 -1.94 -0.16 -4.86 119.30 115.07 2joz s MET 62 Ca 0.64 -0.11 -0.16 0.00 -1.71 0.00 0.00 55.69 54.35 2joz s MET 62 Cb -0.28 -2.92 -0.05 0.00 2.01 0.00 0.00 34.83 33.59 2joz s MET 62 CO 0.34 0.52 0.40 0.00 -0.01 0.00 0.00 175.02 176.26 2joz s ALA 63 N -1.56 3.55 -0.01 3.03 0.00 -1.26 0.93 121.76 126.44 2joz s ALA 63 Ca 0.38 -0.29 0.05 0.00 0.00 0.00 0.00 51.96 52.09 2joz s ALA 63 Cb -0.13 -2.51 -0.03 0.00 0.00 0.00 0.00 23.12 20.46 2joz s ALA 63 CO 0.23 0.11 -0.15 1.52 0.00 0.00 0.00 175.76 177.47 2joz s TYR 64 N 0.30 2.67 0.13 0.00 1.13 -1.05 -1.87 117.35 118.66 2joz s TYR 64 Ca 0.22 -0.18 0.10 0.00 -1.41 0.00 0.00 57.07 55.79 2joz s TYR 64 Cb -0.14 -1.56 -0.04 0.00 -1.10 0.00 0.00 41.96 39.11 2joz s TYR 64 CO 0.08 0.23 -0.24 0.15 -2.51 0.00 0.00 175.55 173.27 2joz s LYS 65 N -1.09 1.31 -0.16 -3.49 1.02 0.10 -4.85 119.74 112.59 2joz s LYS 65 Ca 0.13 -1.32 -0.22 0.00 0.02 0.00 0.00 55.97 54.59 2joz s LYS 65 Cb -0.11 -1.67 -0.03 0.00 -0.52 0.00 0.00 37.83 35.51 2joz s LYS 65 CO 0.03 0.38 0.66 0.08 -0.92 0.00 0.00 175.35 175.58 2joz s VAL 66 N -1.28 5.02 -0.20 3.17 1.01 -1.26 0.33 120.40 127.19 2joz s VAL 66 Ca 0.13 1.28 -0.16 0.00 0.00 0.00 0.00 61.98 63.23 2joz s VAL 66 Cb -0.09 -3.98 -0.09 0.00 0.00 0.00 0.00 36.38 32.22 2joz s VAL 66 CO 0.06 0.14 -0.23 -0.38 0.00 0.00 0.00 175.10 174.70 2joz n ILE 67 N 4.45 1.50 -4.19 2.22 5.41 0.69 -4.93 119.36 124.50 2joz n ILE 67 Ca -0.01 -0.02 -0.16 0.00 1.00 0.00 0.00 62.75 63.56 2joz n ILE 67 Cb 0.50 -2.18 -0.11 0.00 -0.71 0.00 0.00 39.64 37.14 2joz n ILE 67 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 2joz s SER 68 N -6.47 1.63 0.02 4.38 0.01 -1.07 -4.99 113.70 107.22 2joz s SER 68 Ca -0.29 -0.76 -0.13 0.00 1.31 0.00 0.00 55.95 56.08 2joz s SER 68 Cb 0.07 -0.02 0.02 0.00 0.21 0.00 0.00 66.02 66.29 2joz s SER 68 CO 0.43 -0.19 0.28 -1.58 0.41 0.00 0.00 173.24 172.59 2joz s GLN 69 N -2.50 0.72 0.16 12.44 0.74 -1.26 -0.03 119.66 129.94 2joz s GLN 69 Ca 0.04 -0.39 -0.01 0.00 0.05 0.00 0.00 55.36 55.05 2joz s GLN 69 Cb -0.05 0.31 -0.04 0.00 1.10 0.00 0.00 33.01 34.33 2joz s GLN 69 CO 0.01 -0.21 0.09 0.45 -0.55 0.00 0.00 175.29 175.07 2joz s SER 70 N -1.74 0.29 0.04 6.67 0.15 -0.50 -4.94 113.70 113.66 2joz s SER 70 Ca -0.09 -1.29 -0.13 0.00 0.70 0.00 0.00 55.95 55.15 2joz s SER 70 Cb -0.03 0.32 -0.34 0.00 -1.71 0.00 0.00 66.02 64.26 2joz s SER 70 CO -0.00 -0.77 1.01 0.71 1.20 0.00 0.00 173.24 175.39 2joz h THR 71 N 2.75 1.31 0.00 6.45 1.35 -2.02 -3.43 112.91 119.32 2joz h THR 71 Ca -0.36 -2.77 0.00 0.00 -0.55 0.00 0.00 66.41 62.73 2joz h THR 71 Cb 1.22 3.01 0.00 0.00 -1.73 0.00 0.00 68.15 70.65 2joz h THR 71 CO 0.57 0.83 0.00 -0.90 -0.25 0.00 0.00 175.52 175.77 2joz n ASP 72 N -3.67 0.00 0.00 5.36 5.75 -1.26 -4.97 116.55 117.76 2joz n ASP 72 Ca -0.15 -1.00 0.00 0.00 -0.01 0.00 0.00 54.79 53.63 2joz n ASP 72 Cb 1.09 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.18 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 -0.26 3.14 6.12 0.00 -1.26 -4.82 105.19 108.11 2joz n GLY 73 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.58 0.03 -0.02 1.61 1.04 -1.26 -3.35 113.70 111.16 2joz s SER 74 Ca 0.00 -0.28 0.05 0.00 0.48 0.00 0.00 55.95 56.21 2joz s SER 74 Cb 0.00 0.24 -0.01 0.00 0.10 0.00 0.00 66.02 66.35 2joz s SER 74 CO 0.00 -0.45 -0.18 -0.63 0.98 0.00 0.00 173.24 172.96 2joz s ILE 75 N -1.89 1.44 -0.13 -1.02 1.01 0.17 -1.41 121.20 119.37 2joz s ILE 75 Ca -0.11 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 59.80 2joz s ILE 75 Cb -0.05 -1.21 -0.00 0.00 0.01 0.00 0.00 42.46 41.22 2joz s ILE 75 CO -0.01 0.41 -0.18 -0.70 0.00 0.00 0.00 174.94 174.46 2joz s GLU 76 N -0.28 3.17 0.18 2.79 2.12 0.96 0.23 118.70 127.87 2joz s GLU 76 Ca 0.04 -0.79 0.08 0.00 0.36 0.00 0.00 54.97 54.66 2joz s GLU 76 Cb -0.08 -2.51 -0.04 0.00 0.26 0.00 0.00 34.13 31.75 2joz s GLU 76 CO 0.00 0.09 -0.17 0.96 -0.54 0.00 0.00 175.26 175.61 2joz s ILE 77 N 0.61 1.79 0.03 -3.70 -4.36 -0.50 -0.23 121.20 114.84 2joz s ILE 77 Ca -0.10 -2.03 0.06 0.00 -0.26 0.00 0.00 60.65 58.32 2joz s ILE 77 Cb -0.16 -1.91 -0.02 0.00 1.25 0.00 0.00 42.46 41.61 2joz s ILE 77 CO 0.03 -0.43 -0.18 -1.58 0.24 0.00 0.00 174.94 173.02 2joz s GLN 78 N -3.12 1.26 0.36 0.37 0.74 0.15 -0.55 119.66 118.87 2joz s GLN 78 Ca 0.18 -0.83 -0.18 0.00 0.05 0.00 0.00 55.36 54.58 2joz s GLN 78 Cb -0.04 -1.31 -0.10 0.00 1.10 0.00 0.00 33.01 32.66 2joz s GLN 78 CO 0.07 0.34 0.83 0.71 -0.55 0.00 0.00 175.29 176.68 2joz s TYR 79 N -0.74 3.39 0.38 1.67 1.51 -1.20 -0.72 117.35 121.64 2joz s TYR 79 Ca 0.06 1.41 0.08 0.00 -1.01 0.00 0.00 57.07 57.60 2joz s TYR 79 Cb -0.08 -2.68 -0.02 0.00 -0.11 0.00 0.00 41.96 39.07 2joz s TYR 79 CO 0.01 0.04 0.38 -0.51 -1.11 0.00 0.00 175.55 174.36 2joz s LEU 80 N -2.94 3.55 0.00 -1.29 1.43 -0.78 -3.63 118.68 115.02 2joz s LEU 80 Ca 0.56 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 2joz s LEU 80 Cb -0.11 -2.26 0.00 0.00 0.03 0.00 0.00 46.19 43.86 2joz s LEU 80 CO 0.16 -0.54 0.00 0.61 0.23 0.00 0.00 176.35 176.81 2joz n GLY 81 N -1.53 -0.53 0.00 -3.19 0.00 -1.26 -3.92 105.19 94.76 2joz n GLY 81 Ca 0.02 -1.52 0.08 0.00 0.00 0.00 0.00 46.02 44.60 2joz n GLY 81 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2joz n PRO 82 N 0.00 0.24 -0.63 1.61 -0.02 -1.26 -2.26 135.00 132.69 2joz n PRO 82 Ca 0.00 0.13 0.09 0.00 -2.02 0.00 0.00 63.50 61.69 2joz n PRO 82 Cb 0.00 -1.50 0.35 0.00 -0.02 0.00 0.00 33.50 32.33 2joz n PRO 82 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2joz n TYR 83 N -1.26 1.51 -0.39 6.00 4.02 -1.25 -4.95 117.16 120.83 2joz n TYR 83 Ca 0.08 -0.58 -0.23 0.00 -0.01 0.00 0.00 57.90 57.16 2joz n TYR 83 Cb 0.11 -0.27 0.21 0.00 -0.02 0.00 0.00 39.34 39.37 2joz n TYR 83 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 176.86 178.33 2joz n TYR 84 N 1.01 -3.44 0.00 -0.72 4.11 -0.96 -3.02 117.16 114.13 2joz n TYR 84 Ca 0.25 -0.65 0.00 0.00 -0.00 0.00 0.00 57.90 57.50 2joz n TYR 84 Cb 0.90 -0.90 0.00 0.00 -0.00 0.00 0.00 39.34 39.33 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 -4.58 0.00 -2.92 -3.48 -0.02 -1.26 -4.84 135.00 117.90 2joz n PRO 85 Ca 0.11 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.17 2joz n PRO 85 Cb 0.44 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.88 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 4.11 0.38 2.45 2.96 -1.17 -5.05 118.68 122.37 2joz s LEU 86 Ca 0.00 1.05 0.07 0.00 -0.22 0.00 0.00 54.13 55.03 2joz s LEU 86 Cb 0.00 -3.16 -0.07 0.00 0.50 0.00 0.00 46.19 43.45 2joz s LEU 86 CO 0.00 -0.46 -0.02 -1.59 -1.32 0.00 0.00 176.35 172.96 2joz s LYS 87 N 2.57 1.89 0.12 1.98 -2.85 -1.26 -3.24 119.74 118.95 2joz s LYS 87 Ca 0.35 -2.04 0.05 0.00 -1.00 0.00 0.00 55.97 53.33 2joz s LYS 87 Cb -0.16 -1.60 -0.04 0.00 -2.06 0.00 0.00 37.83 33.98 2joz s LYS 87 CO 0.09 -0.00 -0.13 -1.12 0.10 0.00 0.00 175.35 174.29 2joz s SER 88 N -3.66 1.87 -0.02 0.03 0.01 0.29 -4.63 113.70 107.59 2joz s SER 88 Ca 0.34 -0.81 0.04 0.00 1.31 0.00 0.00 55.95 56.83 2joz s SER 88 Cb 0.08 -0.05 -0.03 0.00 0.21 0.00 0.00 66.02 66.23 2joz s SER 88 CO 0.17 -0.18 -0.13 -0.89 0.41 0.00 0.00 173.24 172.62 2joz s THR 89 N -2.23 3.14 -0.12 1.44 2.01 -0.09 -1.40 115.64 118.39 2joz s THR 89 Ca 0.08 -0.82 0.02 0.00 0.31 0.00 0.00 61.69 61.28 2joz s THR 89 Cb -0.04 -2.28 0.01 0.00 0.01 0.00 0.00 72.50 70.21 2joz s THR 89 CO 0.02 0.50 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.53 2joz s LEU 90 N -1.01 1.80 0.11 4.42 1.43 0.14 0.37 118.68 125.93 2joz s LEU 90 Ca 0.13 -0.47 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 2joz s LEU 90 Cb -0.11 -1.17 -0.04 0.00 0.03 0.00 0.00 46.19 44.90 2joz s LEU 90 CO 0.03 0.02 -0.09 -0.54 0.23 0.00 0.00 176.35 176.00 2joz s LYS 91 N 1.00 0.89 0.51 1.70 1.02 -0.03 0.41 119.74 125.25 2joz s LYS 91 Ca -0.05 -1.26 -0.22 0.00 0.02 0.00 0.00 55.97 54.46 2joz s LYS 91 Cb -0.15 -0.47 -0.06 0.00 -0.52 0.00 0.00 37.83 36.63 2joz s LYS 91 CO -0.03 0.06 1.23 -0.98 -0.92 0.00 0.00 175.35 174.71 2joz s ARG 92 N -3.24 3.40 0.03 1.68 1.70 -1.21 -0.65 118.95 120.66 2joz s ARG 92 Ca 0.09 1.91 -0.00 0.00 -0.47 0.00 0.00 55.73 57.26 2joz s ARG 92 Cb 0.00 -2.25 0.01 0.00 -0.57 0.00 0.00 34.95 32.14 2joz s ARG 92 CO -0.01 -0.88 0.03 0.41 -1.08 0.00 0.00 175.30 173.77 2joz n GLY 93 N 0.53 -2.02 0.14 3.88 0.00 0.95 -4.49 105.19 104.19 2joz n GLY 93 Ca 0.10 -1.52 -0.22 0.00 0.00 0.00 0.00 46.02 44.38 2joz n GLY 93 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2joz h GLU 94 N 0.00 0.33 -2.05 1.61 5.08 -1.96 -3.45 114.58 114.15 2joz h GLU 94 Ca -0.01 -0.57 -0.27 0.00 -1.00 0.00 0.00 59.36 57.50 2joz h GLU 94 Cb 0.03 0.21 -0.32 0.00 0.50 0.00 0.00 28.75 29.17 2joz h GLU 94 CO 0.01 1.25 -0.59 -0.80 -1.00 0.00 0.00 179.01 177.87 2joz s ASN 95 N -7.16 1.18 -1.42 1.42 0.01 -1.26 -4.94 114.94 102.76 2joz s ASN 95 Ca -0.17 -0.50 -0.07 0.00 -0.71 0.00 0.00 52.86 51.41 2joz s ASN 95 Cb 0.06 0.71 0.04 0.00 0.41 0.00 0.00 41.25 42.47 2joz s ASN 95 CO 0.83 -0.36 0.85 0.61 -1.51 0.00 0.00 177.10 177.52 2joz n GLY 96 N 5.33 -0.40 3.33 0.66 0.00 -1.26 -4.96 105.19 107.89 2joz n GLY 96 Ca -0.02 0.16 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.49 0.00 -0.03 2.61 -4.23 -1.26 -4.57 115.64 104.68 2joz s THR 97 Ca 0.34 -1.85 0.03 0.00 -1.18 0.00 0.00 61.69 59.04 2joz s THR 97 Cb -0.17 -2.48 -0.00 0.00 1.34 0.00 0.00 72.50 71.19 2joz s THR 97 CO 0.82 0.00 -0.13 -0.22 -0.54 0.00 0.00 174.62 174.55 2joz s LEU 98 N -3.21 1.87 -0.32 4.79 2.96 -1.24 -0.03 118.68 123.50 2joz s LEU 98 Ca 0.36 -0.26 -0.05 0.00 -0.22 0.00 0.00 54.13 53.96 2joz s LEU 98 Cb 0.03 -0.74 0.04 0.00 0.50 0.00 0.00 46.19 46.02 2joz s LEU 98 CO 0.17 0.12 0.06 -0.63 -1.32 0.00 0.00 176.35 174.75 2joz s ILE 99 N 0.06 3.47 -0.34 6.68 1.01 0.17 -2.72 121.20 129.54 2joz s ILE 99 Ca -0.02 -1.18 -0.10 0.00 0.00 0.00 0.00 60.65 59.35 2joz s ILE 99 Cb -0.09 -2.95 0.01 0.00 0.01 0.00 0.00 42.46 39.44 2joz s ILE 99 CO 0.01 -0.11 0.16 0.86 0.00 0.00 0.00 174.94 175.86 2joz s TRP 100 N 1.35 3.20 -0.16 3.97 -0.00 -0.99 -0.85 118.94 125.46 2joz s TRP 100 Ca -0.03 -0.82 -0.13 0.00 -0.00 0.00 0.00 56.10 55.12 2joz s TRP 100 Cb -0.19 -2.37 -0.05 0.00 -0.00 0.00 0.00 33.47 30.86 2joz s TRP 100 CO 0.01 -0.56 0.28 -1.21 -0.00 0.00 0.00 176.95 175.47 2joz s GLU 101 N 1.56 4.24 -0.17 5.86 2.02 0.16 0.42 118.70 132.79 2joz s GLU 101 Ca 0.03 0.07 -0.12 0.00 0.02 0.00 0.00 54.97 54.97 2joz s GLU 101 Cb -0.18 -3.42 0.05 0.00 0.10 0.00 0.00 34.13 30.68 2joz s GLU 101 CO 0.06 0.25 0.42 -1.14 0.02 0.00 0.00 175.26 174.87 2joz s GLN 102 N 0.43 0.44 0.00 1.61 -0.44 0.11 -0.91 119.66 120.89 2joz s GLN 102 Ca 0.16 0.71 0.00 0.00 -2.50 0.00 0.00 55.36 53.73 2joz s GLN 102 Cb -0.13 0.09 0.00 0.00 -1.64 0.00 0.00 33.01 31.34 2joz s GLN 102 CO 0.03 -0.11 0.00 -1.71 0.50 0.00 0.00 175.29 174.00 2joz n ASN 103 N 3.65 -4.78 0.00 6.67 2.85 -1.26 -0.73 115.26 121.65 2joz n ASN 103 Ca -0.19 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.28 2joz n ASN 103 Cb 0.56 -2.33 0.00 0.00 1.24 0.00 0.00 39.78 39.25 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 -0.57 0.52 3.65 8.20 0.00 -1.26 -5.07 105.19 110.66 2joz n GLY 104 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.83 2.76 -0.23 1.61 -0.21 0.09 -5.10 119.66 117.76 2joz s GLN 105 Ca 0.00 -0.60 -0.11 0.00 0.02 0.00 0.00 55.36 54.67 2joz s GLN 105 Cb 0.00 -2.64 -0.05 0.00 1.00 0.00 0.00 33.01 31.32 2joz s GLN 105 CO 0.00 0.63 0.18 -0.98 -2.12 0.00 0.00 175.29 173.00 2joz s ARG 106 N -1.36 4.11 -0.14 2.91 1.70 -1.26 0.04 118.95 124.94 2joz s ARG 106 Ca 0.17 -0.21 -0.21 0.00 -0.47 0.00 0.00 55.73 55.01 2joz s ARG 106 Cb -0.11 -3.51 -0.03 0.00 -0.57 0.00 0.00 34.95 30.73 2joz s ARG 106 CO 0.08 0.11 0.63 0.15 -1.08 0.00 0.00 175.30 175.19 2joz s LYS 107 N 0.91 4.30 -0.37 3.89 3.01 0.17 -4.94 119.74 126.71 2joz s LYS 107 Ca 0.09 0.68 -0.18 0.00 -1.01 0.00 0.00 55.97 55.56 2joz s LYS 107 Cb -0.13 -3.51 0.00 0.00 -1.01 0.00 0.00 37.83 33.18 2joz s LYS 107 CO 0.03 -0.08 0.48 0.99 0.51 0.00 0.00 175.35 177.28 2joz s THR 108 N 1.37 5.04 -0.01 2.17 2.01 -1.26 -2.34 115.64 122.62 2joz s THR 108 Ca 0.31 0.14 0.05 0.00 0.31 0.00 0.00 61.69 62.50 2joz s THR 108 Cb -0.16 -3.97 -0.03 0.00 0.01 0.00 0.00 72.50 68.35 2joz s THR 108 CO 0.13 -0.26 -0.15 -0.04 -0.69 0.00 0.00 174.62 173.61 2joz s MET 109 N 2.31 2.35 0.15 4.92 -1.94 -1.10 -3.85 119.30 122.14 2joz s MET 109 Ca 0.16 -0.81 -0.04 0.00 -1.71 0.00 0.00 55.69 53.30 2joz s MET 109 Cb -0.16 -2.32 -0.05 0.00 2.01 0.00 0.00 34.83 34.31 2joz s MET 109 CO 0.13 0.59 0.37 0.99 -0.01 0.00 0.00 175.02 177.10 2joz s THR 110 N -0.83 5.19 -0.17 2.05 2.01 0.25 -3.63 115.64 120.50 2joz s THR 110 Ca 0.13 -0.08 -0.24 0.00 0.31 0.00 0.00 61.69 61.82 2joz s THR 110 Cb -0.11 -3.65 -0.02 0.00 0.01 0.00 0.00 72.50 68.74 2joz s THR 110 CO 0.03 -0.01 0.76 -0.60 -0.69 0.00 0.00 174.62 174.11 2joz s ARG 111 N -2.80 4.28 0.45 4.92 3.52 -1.26 -0.98 118.95 127.07 2joz s ARG 111 Ca 0.40 0.88 -0.23 0.00 -0.13 0.00 0.00 55.73 56.65 2joz s ARG 111 Cb -0.12 -3.57 -0.08 0.00 -1.56 0.00 0.00 34.95 29.62 2joz s ARG 111 CO 0.26 -0.27 1.10 0.42 -0.81 0.00 0.00 175.30 175.99 2joz s ILE 112 N 1.98 3.47 -0.02 4.11 -1.09 -1.25 -4.95 121.20 123.45 2joz s ILE 112 Ca 0.35 1.06 0.05 0.00 -2.23 0.00 0.00 60.65 59.87 2joz s ILE 112 Cb -0.16 -3.51 -0.01 0.00 -1.58 0.00 0.00 42.46 37.20 2joz s ILE 112 CO 0.12 -0.06 -0.16 -0.70 -1.23 0.00 0.00 174.94 172.91 2joz s GLU 113 N -2.77 1.37 -1.33 2.79 2.12 -1.26 -4.75 118.70 114.87 2joz s GLU 113 Ca 0.63 -0.56 -0.07 0.00 0.36 0.00 0.00 54.97 55.33 2joz s GLU 113 Cb -0.23 -1.29 0.01 0.00 0.26 0.00 0.00 34.13 32.87 2joz s GLU 113 CO 0.29 0.31 1.15 0.43 -0.54 0.00 0.00 175.26 176.90 2joz n SER 114 N 2.83 -5.60 -4.72 -1.70 7.64 -1.26 -4.93 113.62 105.87 2joz n SER 114 Ca -0.15 -0.55 -0.42 0.00 1.01 0.00 0.00 58.87 58.75 2joz n SER 114 Cb 0.54 -5.06 -0.03 0.00 -1.01 0.00 0.00 64.21 58.66 2joz n SER 114 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2joz s LYS 115 N -6.14 4.32 0.12 1.43 -2.85 -1.26 -4.95 119.74 110.41 2joz s LYS 115 Ca 0.48 2.10 -0.31 0.00 -1.00 0.00 0.00 55.97 57.24 2joz s LYS 115 Cb -0.21 -3.23 -0.08 0.00 -2.06 0.00 0.00 37.83 32.25 2joz s LYS 115 CO 0.73 -0.42 1.43 0.99 0.10 0.00 0.00 175.35 178.17 2joz s THR 116 N 0.93 3.16 0.10 3.79 2.01 -1.26 -5.02 115.64 119.36 2joz s THR 116 Ca 0.64 0.83 0.07 0.00 0.31 0.00 0.00 61.69 63.54 2joz s THR 116 Cb -0.37 -3.53 -0.03 0.00 0.01 0.00 0.00 72.50 68.57 2joz s THR 116 CO 0.32 0.06 -0.17 -0.83 -0.69 0.00 0.00 174.62 173.32 2joz s GLY 117 N 1.12 1.09 -1.04 4.40 0.00 -1.26 -5.08 107.32 106.55 2joz s GLY 117 Ca 0.66 -1.21 -0.19 0.00 0.00 0.00 0.00 44.72 43.98 2joz s GLY 117 CO 0.30 -1.24 1.33 1.09 0.00 0.00 0.00 173.10 174.59 2joz s ARG 118 N -2.15 3.73 1.81 2.90 1.70 -1.26 -4.93 118.95 120.75 2joz s ARG 118 Ca 0.05 -1.79 0.00 0.00 -0.47 0.00 0.00 55.73 53.52 2joz s ARG 118 Cb -0.08 -5.12 0.00 0.00 -0.57 0.00 0.00 34.95 29.18 2joz s ARG 118 CO 0.04 -1.93 0.00 -1.91 -1.08 0.00 0.00 175.30 170.42 2joz n GLU 119 N 7.14 0.00 -2.12 3.89 2.13 -1.26 -5.03 120.64 125.39 2joz n GLU 119 Ca 0.31 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 58.10 2joz n GLU 119 Cb 0.48 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.16 2joz n GLU 119 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2joz n GLU 120 N -1.46 -2.89 -3.78 5.31 1.02 -1.26 -5.10 120.64 112.48 2joz n GLU 120 Ca 0.00 2.35 -0.04 0.00 -0.02 0.00 0.00 57.16 59.45 2joz n GLU 120 Cb 0.00 -3.44 -0.01 0.00 -0.02 0.00 0.00 31.44 27.97 2joz n GLU 120 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 2joz s LYS 121 N -0.85 1.30 0.40 3.49 -2.85 -1.26 -5.08 119.74 114.88 2joz s LYS 121 Ca -0.15 -0.74 -0.25 0.00 -1.00 0.00 0.00 55.97 53.83 2joz s LYS 121 Cb 0.01 0.43 -0.09 0.00 -2.06 0.00 0.00 37.83 36.13 2joz s LYS 121 CO 0.42 -0.60 1.11 0.16 0.10 0.00 0.00 175.35 176.54 2joz s ASP 122 N -2.99 6.63 -0.02 0.03 -4.77 -1.26 -4.99 116.67 109.31 2joz s ASP 122 Ca 0.13 2.20 -0.10 0.00 -3.30 0.00 0.00 52.55 51.48 2joz s ASP 122 Cb -0.02 -2.60 -0.06 0.00 -1.09 0.00 0.00 42.92 39.15 2joz s ASP 122 CO 0.03 -0.59 0.59 -0.33 0.70 0.00 0.00 175.17 175.57 2joz h GLU 123 N 2.59 -0.35 -1.20 2.11 5.08 -2.05 -3.45 114.58 117.31 2joz h GLU 123 Ca -0.48 0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 57.82 2joz h GLU 123 Cb 1.23 0.08 -0.22 0.00 0.50 0.00 0.00 28.75 30.33 2joz h GLU 123 CO 0.62 -0.23 -0.47 -1.59 -1.00 0.00 0.00 179.01 176.35 2joz s LYS 124 N -2.85 0.67 -0.57 2.33 -2.85 -1.26 -5.04 119.74 110.18 2joz s LYS 124 Ca -0.05 -0.03 -0.05 0.00 -1.00 0.00 0.00 55.97 54.84 2joz s LYS 124 Cb 0.01 0.00 -0.00 0.00 -2.06 0.00 0.00 37.83 35.77 2joz s LYS 124 CO 0.16 -1.13 2.89 0.43 0.10 0.00 0.00 175.35 177.80 2joz n SER 125 N 4.82 6.61 -3.79 0.03 7.64 -1.26 -4.87 113.62 122.80 2joz n SER 125 Ca 0.08 -3.01 -0.10 0.00 1.01 0.00 0.00 58.87 56.85 2joz n SER 125 Cb 0.54 -1.31 -0.06 0.00 -1.01 0.00 0.00 64.21 62.37 2joz n SER 125 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2joz s LYS 126 N -0.86 1.08 -0.23 1.43 -2.85 -1.26 -5.15 119.74 111.89 2joz s LYS 126 Ca 0.60 -0.92 -0.04 0.00 -1.00 0.00 0.00 55.97 54.62 2joz s LYS 126 Cb 0.33 0.42 0.12 0.00 -2.06 0.00 0.00 37.83 36.64 2joz s LYS 126 CO -0.15 -0.40 0.42 0.45 0.10 0.00 0.00 175.35 175.77 2joz s SER 127 N -2.87 -0.14 -0.70 0.03 0.15 -1.26 -5.11 113.70 103.80 2joz s SER 127 Ca 0.08 0.60 -0.24 0.00 0.70 0.00 0.00 55.95 57.09 2joz s SER 127 Cb 0.03 1.34 0.06 0.00 -1.71 0.00 0.00 66.02 65.73 2joz s SER 127 CO -0.07 -0.27 1.07 -0.76 1.20 0.00 0.00 173.24 174.41 2joz s LEU 128 N 2.61 4.01 -0.15 3.45 1.02 -1.26 -4.96 118.68 123.40 2joz s LEU 128 Ca 0.08 -0.85 -0.10 0.00 0.02 0.00 0.00 54.13 53.28 2joz s LEU 128 Cb -0.14 -2.46 0.05 0.00 0.02 0.00 0.00 46.19 43.65 2joz s LEU 128 CO -0.15 -1.56 0.36 -0.70 0.02 0.00 0.00 176.35 174.32 2joz s GLU 129 N 4.57 0.37 0.00 1.70 2.12 -1.26 -5.16 118.70 121.04 2joz s GLU 129 Ca 0.27 0.65 -0.08 0.00 0.36 0.00 0.00 54.97 56.17 2joz s GLU 129 Cb -0.14 0.03 -0.05 0.00 0.26 0.00 0.00 34.13 34.24 2joz s GLU 129 CO 0.11 -0.12 0.28 -3.38 -0.54 0.00 0.00 175.26 171.60 2joz s HIS 130 N 0.99 3.59 -0.18 5.30 -3.43 -1.26 -5.09 115.29 115.21 2joz s HIS 130 Ca -0.06 0.63 -0.04 0.00 -0.80 0.00 0.00 55.06 54.78 2joz s HIS 130 Cb -0.07 -2.03 0.09 0.00 -1.43 0.00 0.00 32.58 29.15 2joz s HIS 130 CO -0.08 0.62 0.29 -3.38 -2.00 0.00 0.00 174.74 170.20 2joz s HIS 131 N -1.26 -0.51 0.13 0.38 -3.43 -1.26 -5.16 115.29 104.18 2joz s HIS 131 Ca 0.26 0.78 0.10 0.00 -0.80 0.00 0.00 55.06 55.40 2joz s HIS 131 Cb -0.13 -0.09 -0.04 0.00 -1.43 0.00 0.00 32.58 30.89 2joz s HIS 131 CO 0.15 -0.52 -0.21 -3.38 -2.00 0.00 0.00 174.74 168.78 2joz s HIS 132 N 2.44 2.46 0.04 0.38 -3.43 -1.26 -5.14 115.29 110.78 2joz s HIS 132 Ca 0.05 -0.30 0.05 0.00 -0.80 0.00 0.00 55.06 54.06 2joz s HIS 132 Cb -0.14 -1.30 -0.02 0.00 -1.43 0.00 0.00 32.58 29.69 2joz s HIS 132 CO -0.12 0.38 -0.16 -1.01 -2.00 0.00 0.00 174.74 171.84 2joz s HIS 133 N -1.16 1.36 0.40 0.38 3.76 -1.26 -5.09 115.29 113.68 2joz s HIS 133 Ca 0.17 -0.36 0.00 0.00 -0.15 0.00 0.00 55.06 54.72 2joz s HIS 133 Cb -0.10 -0.81 0.00 0.00 1.11 0.00 0.00 32.58 32.78 2joz s HIS 133 CO 0.09 0.05 0.00 1.58 -0.85 0.00 0.00 174.74 175.61 2joz n HIS 134 N 1.89 -2.60 0.11 1.40 -0.00 -1.26 -5.38 115.22 109.38 2joz n HIS 134 Ca -0.18 1.43 0.01 0.00 -0.00 0.00 0.00 57.72 58.98 2joz n HIS 134 Cb 0.54 -2.36 0.05 0.00 -0.00 0.00 0.00 29.99 28.23 2joz n HIS 134 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92