#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 0.62 -0.29 2.02 -0.00 -1.26 -5.13 121.20 117.16 2joz s ILE 2 Ca 0.00 -1.97 -0.08 0.00 -0.00 0.00 0.00 60.65 58.60 2joz s ILE 2 Cb 0.00 -2.12 -0.00 0.00 -0.00 0.00 0.00 42.46 40.34 2joz s ILE 2 CO 0.00 -0.47 0.09 -0.32 -0.00 0.00 0.00 174.94 174.25 2joz s MET 3 N -3.93 3.26 -0.34 0.37 1.75 -1.26 -5.06 119.30 114.10 2joz s MET 3 Ca 0.24 -0.75 -0.29 0.00 -1.25 0.00 0.00 55.69 53.64 2joz s MET 3 Cb 0.06 -3.41 -0.01 0.00 2.84 0.00 0.00 34.83 34.32 2joz s MET 3 CO 0.04 -0.39 1.63 0.08 -0.65 0.00 0.00 175.02 175.73 2joz s VAL 4 N 1.55 3.67 0.70 10.11 1.01 -1.26 -4.98 120.40 131.20 2joz s VAL 4 Ca 0.04 0.69 -0.11 0.00 0.00 0.00 0.00 61.98 62.60 2joz s VAL 4 Cb -0.17 -3.85 0.01 0.00 0.00 0.00 0.00 36.38 32.37 2joz s VAL 4 CO 0.03 -0.51 1.06 -0.55 0.00 0.00 0.00 175.10 175.14 2joz s SER 5 N 4.99 5.37 0.00 3.32 0.15 -1.26 -5.05 113.70 121.22 2joz s SER 5 Ca 0.72 1.57 0.00 0.00 0.70 0.00 0.00 55.95 58.94 2joz s SER 5 Cb -0.20 -2.45 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 2joz s SER 5 CO 0.32 -1.44 0.00 0.61 1.20 0.00 0.00 173.24 173.93 2joz n GLY 6 N -2.07 3.22 2.01 9.45 0.00 -1.26 -5.11 105.19 111.44 2joz n GLY 6 Ca 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2joz n GLY 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2joz n GLN 8 N -3.44 0.00 -3.90 0.00 6.02 -1.26 -4.92 117.38 109.89 2joz n GLN 8 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.88 2joz n GLN 8 Cb 0.00 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.16 2joz n GLN 8 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 2joz s GLN 9 N 0.00 0.45 -0.19 -1.09 -2.07 -1.26 -5.13 119.66 110.37 2joz s GLN 9 Ca 0.00 -0.46 -0.23 0.00 -1.82 0.00 0.00 55.36 52.85 2joz s GLN 9 Cb 0.00 0.18 -0.02 0.00 -1.09 0.00 0.00 33.01 32.08 2joz s GLN 9 CO 0.00 -0.10 0.72 1.14 -1.32 0.00 0.00 175.29 175.73 2joz s GLN 10 N -1.45 4.24 0.33 9.60 0.00 -1.26 -4.90 119.66 126.23 2joz s GLN 10 Ca -0.15 0.80 0.19 0.00 -0.00 0.00 0.00 55.36 56.20 2joz s GLN 10 Cb -0.08 -3.58 0.17 0.00 0.00 0.00 0.00 33.01 29.52 2joz s GLN 10 CO 0.01 -0.29 1.45 0.87 0.00 0.00 0.00 175.29 177.33 2joz h LYS 11 N 7.44 0.00 -6.64 9.60 1.79 -2.04 -3.44 116.57 123.28 2joz h LYS 11 Ca -0.30 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.65 2joz h LYS 11 Cb 1.13 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.79 2joz h LYS 11 CO 0.80 0.22 0.48 -1.83 -1.08 0.00 0.00 179.45 178.05 2joz s GLU 12 N -3.10 4.58 0.48 3.15 1.03 -1.26 -5.00 118.70 118.59 2joz s GLU 12 Ca 0.05 1.71 -0.23 0.00 0.03 0.00 0.00 54.97 56.53 2joz s GLU 12 Cb 0.07 -3.29 -0.07 0.00 -0.80 0.00 0.00 34.13 30.04 2joz s GLU 12 CO 0.72 0.05 1.28 -1.83 -1.33 0.00 0.00 175.26 174.15 2joz s GLU 13 N -0.25 3.54 -0.43 -4.83 -1.05 -1.26 -5.00 118.70 109.42 2joz s GLU 13 Ca 0.50 2.06 0.05 0.00 -0.15 0.00 0.00 54.97 57.43 2joz s GLU 13 Cb -0.29 -2.42 0.17 0.00 -0.44 0.00 0.00 34.13 31.15 2joz s GLU 13 CO 0.34 -0.81 0.42 0.99 0.95 0.00 0.00 175.26 177.15 2joz s THR 14 N -1.38 0.01 -0.22 1.83 2.01 -1.26 -5.11 115.64 111.52 2joz s THR 14 Ca 0.65 -2.20 -0.29 0.00 0.31 0.00 0.00 61.69 60.16 2joz s THR 14 Cb -0.36 -0.95 -0.02 0.00 0.01 0.00 0.00 72.50 71.18 2joz s THR 14 CO 0.44 -0.94 1.54 -2.16 -0.69 0.00 0.00 174.62 172.81 2joz s PRO 15 N 0.32 3.88 0.29 4.92 0.04 -1.26 -4.89 135.00 138.30 2joz s PRO 15 Ca 0.31 1.63 0.24 0.00 0.04 0.00 0.00 61.00 63.22 2joz s PRO 15 Cb 0.02 -3.98 1.06 0.00 0.04 0.00 0.00 34.50 31.64 2joz s PRO 15 CO -0.15 -1.18 1.71 1.97 0.04 0.00 0.00 177.00 179.39 2joz n PHE 16 N 8.06 0.83 0.18 0.56 -1.74 -1.26 -1.91 117.46 122.18 2joz n PHE 16 Ca 0.18 0.35 0.11 0.00 -0.56 0.00 0.00 57.45 57.53 2joz n PHE 16 Cb 0.45 -1.07 -0.05 0.00 1.52 0.00 0.00 39.48 40.33 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 0.47 -2.62 2.97 4.11 -1.26 -4.88 117.16 113.67 2joz n TYR 17 Ca 0.01 0.14 -0.40 0.00 -0.00 0.00 0.00 57.90 57.65 2joz n TYR 17 Cb 0.18 -0.68 -0.05 0.00 -0.00 0.00 0.00 39.34 38.79 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 -3.37 3.79 -4.08 -3.48 5.04 -0.80 -4.80 117.35 109.65 2joz s TYR 18 Ca -0.02 1.81 0.00 0.00 -2.44 0.00 0.00 57.07 56.42 2joz s TYR 18 Cb 0.12 -3.13 0.00 0.00 0.35 0.00 0.00 41.96 39.30 2joz s TYR 18 CO 0.83 -0.03 0.00 0.41 -1.34 0.00 0.00 175.55 175.42 2joz n GLY 19 N 1.37 0.71 3.05 8.97 0.00 -1.26 -4.97 105.19 113.06 2joz n GLY 19 Ca -0.01 -1.75 -0.27 0.00 0.00 0.00 0.00 46.02 43.99 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 -3.05 1.34 0.03 2.61 2.01 -1.26 -1.28 115.64 116.03 2joz s THR 20 Ca 0.00 -0.58 0.08 0.00 0.31 0.00 0.00 61.69 61.50 2joz s THR 20 Cb 0.00 -1.22 -0.03 0.00 0.01 0.00 0.00 72.50 71.27 2joz s THR 20 CO 0.00 0.40 -0.23 0.26 -0.69 0.00 0.00 174.62 174.36 2joz s TRP 21 N 0.77 2.42 -0.25 4.92 0.52 0.68 -0.21 118.94 127.78 2joz s TRP 21 Ca -0.12 -0.35 -0.19 0.00 0.02 0.00 0.00 56.10 55.45 2joz s TRP 21 Cb -0.16 -1.44 -0.02 0.00 -1.15 0.00 0.00 33.47 30.70 2joz s TRP 21 CO 0.02 0.15 0.58 0.34 0.02 0.00 0.00 176.95 178.05 2joz s ASP 22 N -1.19 6.52 -0.48 2.95 2.15 0.16 -0.06 116.67 126.72 2joz s ASP 22 Ca 0.12 0.63 0.03 0.00 0.43 0.00 0.00 52.55 53.76 2joz s ASP 22 Cb -0.10 -2.31 0.50 0.00 -0.30 0.00 0.00 42.92 40.71 2joz s ASP 22 CO 0.02 -0.32 1.74 1.21 -0.17 0.00 0.00 175.17 177.65 2joz n GLU 23 N 5.58 2.65 -1.56 4.34 4.07 0.20 -3.47 120.64 132.46 2joz n GLU 23 Ca -0.02 -3.41 -0.42 0.00 -0.06 0.00 0.00 57.16 53.25 2joz n GLU 23 Cb 0.49 -2.18 -0.02 0.00 -0.06 0.00 0.00 31.44 29.67 2joz n GLU 23 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2joz n GLY 24 N -0.95 3.57 0.00 8.31 0.00 -1.19 -3.50 105.19 111.42 2joz n GLY 24 Ca 0.53 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 45.11 2joz n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2joz n ARG 25 N 6.59 1.13 -2.57 1.61 1.74 -1.26 -4.98 116.66 118.92 2joz n ARG 25 Ca 0.51 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 57.21 2joz n ARG 25 Cb 0.40 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.80 2joz n ARG 25 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2joz s ALA 26 N -2.45 3.17 1.18 7.54 0.00 -1.26 -4.56 121.76 125.39 2joz s ALA 26 Ca 0.00 0.71 -0.18 0.00 0.00 0.00 0.00 51.96 52.49 2joz s ALA 26 Cb 0.00 -3.27 0.26 0.00 0.00 0.00 0.00 23.12 20.12 2joz s ALA 26 CO 0.00 -0.14 1.04 -2.30 0.00 0.00 0.00 175.76 174.36 2joz n PRO 27 N 0.29 -2.62 0.00 0.00 -0.02 -1.25 -4.96 135.00 126.44 2joz n PRO 27 Ca 0.03 -1.65 0.00 0.00 -2.02 0.00 0.00 63.50 59.87 2joz n PRO 27 Cb 0.49 -1.45 0.00 0.00 -0.02 0.00 0.00 33.50 32.52 2joz n PRO 27 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2joz n GLY 28 N -3.90 5.28 0.00 -1.23 0.00 0.35 -4.99 105.19 100.70 2joz n GLY 28 Ca 0.14 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 0.14 -0.21 1.61 -0.04 -1.26 -4.43 135.00 130.81 2joz n PRO 29 Ca 0.00 0.00 0.18 0.00 -0.04 0.00 0.00 63.50 63.64 2joz n PRO 29 Cb 0.00 0.00 0.52 0.00 -0.04 0.00 0.00 33.50 33.98 2joz n PRO 29 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2joz h THR 30 N -1.24 0.71 -0.57 0.52 1.35 -2.02 0.37 112.91 112.03 2joz h THR 30 Ca 0.00 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 2joz h THR 30 Cb 0.00 0.29 0.00 0.00 -1.73 0.00 0.00 68.15 66.71 2joz h THR 30 CO 0.00 0.07 0.00 0.47 -0.25 0.00 0.00 175.52 175.81 2joz n ASP 31 N -4.49 5.00 -4.06 5.36 8.00 -1.26 -4.65 116.55 120.46 2joz n ASP 31 Ca 0.17 -2.68 -0.37 0.00 0.71 0.00 0.00 54.79 52.62 2joz n ASP 31 Cb 0.65 -0.61 -0.04 0.00 -0.02 0.00 0.00 41.12 41.10 2joz n ASP 31 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2joz n GLY 32 N 0.74 4.36 3.64 0.44 0.00 0.13 -3.43 105.19 111.08 2joz n GLY 32 Ca 0.26 -2.62 -0.40 0.00 0.00 0.00 0.00 46.02 43.25 2joz n GLY 32 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2joz n VAL 33 N 2.06 2.79 -0.35 1.61 0.31 -1.26 -0.49 118.33 123.00 2joz n VAL 33 Ca 0.24 -0.50 0.05 0.00 -0.01 0.00 0.00 64.34 64.11 2joz n VAL 33 Cb 0.37 -1.30 0.20 0.00 -0.91 0.00 0.00 33.84 32.20 2joz n VAL 33 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2joz h LYS 34 N 1.49 0.97 -3.36 5.55 1.57 -1.91 -3.40 116.57 117.48 2joz h LYS 34 Ca -0.47 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.22 2joz h LYS 34 Cb 1.33 -0.22 -0.11 0.00 0.08 0.00 0.00 32.23 33.31 2joz h LYS 34 CO 0.57 0.64 -0.02 -1.12 -0.57 0.00 0.00 179.45 178.95 2joz s SER 35 N -5.73 -0.24 0.01 0.86 0.01 -1.24 -3.91 113.70 103.45 2joz s SER 35 Ca -0.12 -0.45 -0.05 0.00 1.31 0.00 0.00 55.95 56.64 2joz s SER 35 Cb 0.21 0.54 -0.01 0.00 0.21 0.00 0.00 66.02 66.97 2joz s SER 35 CO 0.80 -0.99 0.08 0.00 0.41 0.00 0.00 173.24 173.55 2joz s ALA 36 N -3.86 -0.17 -0.00 1.44 0.00 -1.23 -0.03 121.76 117.90 2joz s ALA 36 Ca 0.08 -0.30 0.02 0.00 0.00 0.00 0.00 51.96 51.76 2joz s ALA 36 Cb 0.00 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.25 2joz s ALA 36 CO -0.05 -0.20 -0.08 0.95 0.00 0.00 0.00 175.76 176.38 2joz s THR 37 N -1.50 0.62 -0.14 0.00 -4.23 0.23 0.61 115.64 111.23 2joz s THR 37 Ca -0.15 -0.38 -0.01 0.00 -1.18 0.00 0.00 61.69 59.97 2joz s THR 37 Cb -0.08 -0.53 -0.02 0.00 1.34 0.00 0.00 72.50 73.21 2joz s THR 37 CO 0.00 0.15 -0.10 0.54 -0.54 0.00 0.00 174.62 174.67 2joz s VAL 38 N -0.25 3.33 -0.19 2.29 0.11 0.91 -0.05 120.40 126.55 2joz s VAL 38 Ca 0.02 -0.56 -0.05 0.00 -2.93 0.00 0.00 61.98 58.47 2joz s VAL 38 Cb -0.03 -2.42 -0.03 0.00 -1.53 0.00 0.00 36.38 32.37 2joz s VAL 38 CO -0.00 0.51 -0.00 -0.89 -3.33 0.00 0.00 175.10 171.39 2joz s THR 39 N 0.38 3.98 -0.31 5.04 2.01 0.10 -0.23 115.64 126.61 2joz s THR 39 Ca -0.08 -0.31 -0.12 0.00 0.31 0.00 0.00 61.69 61.49 2joz s THR 39 Cb -0.15 -2.79 -0.03 0.00 0.01 0.00 0.00 72.50 69.54 2joz s THR 39 CO 0.05 0.44 0.21 -0.36 -0.69 0.00 0.00 174.62 174.27 2joz s PHE 40 N 0.84 3.22 0.57 4.92 0.40 -0.41 -0.42 117.98 127.10 2joz s PHE 40 Ca 0.01 -0.13 0.09 0.00 -0.60 0.00 0.00 56.93 56.29 2joz s PHE 40 Cb -0.14 -2.42 0.09 0.00 0.51 0.00 0.00 43.02 41.05 2joz s PHE 40 CO 0.02 -0.30 0.71 2.41 0.70 0.00 0.00 175.22 178.76 2joz n THR 41 N 5.07 0.00 0.00 0.64 -1.04 -0.21 -4.09 114.28 114.65 2joz n THR 41 Ca -0.13 -1.98 0.00 0.00 -2.04 0.00 0.00 64.05 59.89 2joz n THR 41 Cb 0.51 -0.40 0.00 0.00 -1.82 0.00 0.00 70.33 68.61 2joz n THR 41 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2joz n GLU 42 N -2.15 0.00 0.00 -2.82 2.13 -1.26 -3.94 120.64 112.60 2joz n GLU 42 Ca 0.12 0.88 0.00 0.00 0.66 0.00 0.00 57.16 58.82 2joz n GLU 42 Cb 0.60 -1.49 0.00 0.00 0.27 0.00 0.00 31.44 30.82 2joz n GLU 42 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2joz n ASP 43 N -2.75 1.47 -4.12 4.31 8.00 -1.26 -5.03 116.55 117.17 2joz n ASP 43 Ca 0.00 -1.73 -0.15 0.00 0.71 0.00 0.00 54.79 53.62 2joz n ASP 43 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 40.98 2joz n ASP 43 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 2joz s GLU 44 N -0.73 0.67 -0.11 -1.24 1.03 -1.25 -1.97 118.70 115.10 2joz s GLU 44 Ca 0.00 -0.88 0.00 0.00 0.03 0.00 0.00 54.97 54.12 2joz s GLU 44 Cb 0.00 -0.52 -0.02 0.00 -0.80 0.00 0.00 34.13 32.79 2joz s GLU 44 CO 0.00 0.10 -0.10 0.08 -1.33 0.00 0.00 175.26 174.01 2joz s VAL 45 N -1.46 3.33 -0.18 1.83 1.01 0.22 -1.05 120.40 124.10 2joz s VAL 45 Ca -0.05 -0.59 -0.00 0.00 0.00 0.00 0.00 61.98 61.34 2joz s VAL 45 Cb -0.09 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 33.91 2joz s VAL 45 CO 0.01 0.55 -0.15 -0.69 0.00 0.00 0.00 175.10 174.82 2joz s VAL 46 N -0.09 2.57 -0.03 2.92 1.01 0.44 -0.51 120.40 126.72 2joz s VAL 46 Ca -0.01 -0.78 -0.13 0.00 0.00 0.00 0.00 61.98 61.06 2joz s VAL 46 Cb -0.14 -2.10 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 2joz s VAL 46 CO 0.03 0.51 0.35 -1.61 0.00 0.00 0.00 175.10 174.38 2joz s GLU 47 N 1.11 3.81 -0.05 2.72 8.01 -1.26 0.03 118.70 133.07 2joz s GLU 47 Ca 0.00 0.29 0.03 0.00 0.01 0.00 0.00 54.97 55.30 2joz s GLU 47 Cb -0.14 -3.22 0.00 0.00 -4.31 0.00 0.00 34.13 26.46 2joz s GLU 47 CO -0.05 0.70 -0.15 0.99 0.01 0.00 0.00 175.26 176.77 2joz s THR 48 N -1.04 1.27 -0.05 3.63 2.01 0.93 -0.10 115.64 122.28 2joz s THR 48 Ca 0.22 -0.60 0.04 0.00 0.31 0.00 0.00 61.69 61.66 2joz s THR 48 Cb -0.16 -1.12 -0.00 0.00 0.01 0.00 0.00 72.50 71.24 2joz s THR 48 CO 0.11 0.38 -0.18 -1.61 -0.69 0.00 0.00 174.62 172.63 2joz s GLU 49 N 0.28 1.94 -0.47 4.92 2.02 -0.88 0.76 118.70 127.27 2joz s GLU 49 Ca -0.08 -0.64 -0.21 0.00 0.02 0.00 0.00 54.97 54.06 2joz s GLU 49 Cb -0.13 -1.65 0.03 0.00 0.10 0.00 0.00 34.13 32.49 2joz s GLU 49 CO 0.03 0.23 0.70 0.08 0.02 0.00 0.00 175.26 176.32 2joz s VAL 50 N 0.10 4.75 -0.12 2.63 1.01 0.95 -1.92 120.40 127.81 2joz s VAL 50 Ca -0.06 0.05 -0.08 0.00 0.00 0.00 0.00 61.98 61.89 2joz s VAL 50 Cb -0.13 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 2joz s VAL 50 CO 0.03 -0.73 0.17 -0.04 0.00 0.00 0.00 175.10 174.53 2joz s MET 51 N 3.00 3.60 -0.14 2.72 1.00 -0.13 -3.27 119.30 126.07 2joz s MET 51 Ca 0.23 -0.09 -0.29 0.00 0.00 0.00 0.00 55.69 55.54 2joz s MET 51 Cb -0.15 -3.23 -0.05 0.00 0.00 0.00 0.00 34.83 31.40 2joz s MET 51 CO 0.18 0.70 1.87 -2.00 0.00 0.00 0.00 175.02 175.77 2joz s GLU 52 N -0.81 3.73 0.00 2.03 2.12 -1.26 -0.03 118.70 124.48 2joz s GLU 52 Ca 0.15 2.03 0.00 0.00 0.36 0.00 0.00 54.97 57.51 2joz s GLU 52 Cb -0.12 -4.16 0.00 0.00 0.26 0.00 0.00 34.13 30.11 2joz s GLU 52 CO 0.04 -1.40 0.00 0.41 -0.54 0.00 0.00 175.26 173.77 2joz n GLY 53 N 4.90 1.47 0.04 -1.50 0.00 -1.26 -4.82 105.19 104.02 2joz n GLY 53 Ca 0.22 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.19 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 0.89 0.00 1.61 1.74 -0.42 -5.13 116.66 113.35 2joz n ARG 54 Ca 0.00 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 2joz n ARG 54 Cb 0.00 -1.17 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 2joz n ARG 54 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2joz n GLY 55 N 2.97 -1.66 3.70 -0.13 0.00 0.96 -4.83 105.19 106.19 2joz n GLY 55 Ca -0.14 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 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 4.17 -0.13 1.61 8.01 -1.26 -0.96 118.70 130.13 2joz s GLU 56 Ca 0.00 2.48 0.01 0.00 0.01 0.00 0.00 54.97 57.47 2joz s GLU 56 Cb 0.00 -3.46 0.02 0.00 -4.31 0.00 0.00 34.13 26.38 2joz s GLU 56 CO 0.00 -0.76 -0.14 0.08 0.01 0.00 0.00 175.26 174.45 2joz s VAL 57 N 2.26 1.50 -0.06 2.63 1.01 -0.81 -4.96 120.40 121.97 2joz s VAL 57 Ca 0.76 -0.60 -0.22 0.00 0.00 0.00 0.00 61.98 61.93 2joz s VAL 57 Cb -0.44 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 2joz s VAL 57 CO 0.34 0.45 0.63 -1.10 0.00 0.00 0.00 175.10 175.41 2joz s GLN 58 N 1.38 4.39 0.56 2.72 -0.21 -1.26 -2.08 119.66 125.17 2joz s GLN 58 Ca 0.02 0.76 -0.04 0.00 0.02 0.00 0.00 55.36 56.11 2joz s GLN 58 Cb -0.13 -3.42 0.01 0.00 1.00 0.00 0.00 33.01 30.47 2joz s GLN 58 CO -0.08 0.16 0.85 -0.51 -2.12 0.00 0.00 175.29 173.59 2joz s LEU 59 N 0.51 3.31 -0.23 2.90 1.43 0.85 -4.14 118.68 123.32 2joz s LEU 59 Ca 0.34 0.59 -0.39 0.00 -1.03 0.00 0.00 54.13 53.64 2joz s LEU 59 Cb -0.17 -3.42 -0.15 0.00 0.03 0.00 0.00 46.19 42.48 2joz s LEU 59 CO 0.16 -1.00 1.77 -2.65 0.23 0.00 0.00 176.35 174.86 2joz n PRO 60 N -2.48 1.41 -1.96 1.29 -0.02 -1.26 -4.51 135.00 127.48 2joz n PRO 60 Ca 0.04 0.52 -0.41 0.00 -2.02 0.00 0.00 63.50 61.62 2joz n PRO 60 Cb 0.58 -2.24 -0.02 0.00 -0.02 0.00 0.00 33.50 31.79 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 3.63 2.98 -0.19 6.00 -0.12 -1.26 -4.79 117.98 124.23 2joz s PHE 61 Ca 0.97 0.91 -0.09 0.00 -0.05 0.00 0.00 56.93 58.67 2joz s PHE 61 Cb -0.97 -3.88 -0.04 0.00 -0.63 0.00 0.00 43.02 37.49 2joz s PHE 61 CO 0.62 -2.97 0.09 -1.64 -0.05 0.00 0.00 175.22 171.27 2joz s MET 62 N -0.12 4.07 0.44 1.99 -1.94 0.33 -4.87 119.30 119.19 2joz s MET 62 Ca 0.62 -0.29 -0.22 0.00 -1.71 0.00 0.00 55.69 54.09 2joz s MET 62 Cb -0.43 -3.31 -0.10 0.00 2.01 0.00 0.00 34.83 33.01 2joz s MET 62 CO 0.42 0.28 1.00 0.00 -0.01 0.00 0.00 175.02 176.71 2joz s ALA 63 N 0.37 2.99 0.03 3.03 0.00 -1.25 0.70 121.76 127.63 2joz s ALA 63 Ca 0.05 0.54 -0.01 0.00 0.00 0.00 0.00 51.96 52.55 2joz s ALA 63 Cb -0.12 -3.22 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 2joz s ALA 63 CO -0.01 -0.11 -0.03 1.52 0.00 0.00 0.00 175.76 177.14 2joz s TYR 64 N -1.97 0.35 0.09 0.00 1.13 -0.83 -0.03 117.35 116.09 2joz s TYR 64 Ca 0.63 -0.73 0.07 0.00 -1.41 0.00 0.00 57.07 55.63 2joz s TYR 64 Cb -0.15 -0.26 -0.03 0.00 -1.10 0.00 0.00 41.96 40.42 2joz s TYR 64 CO 0.19 -0.27 -0.19 0.15 -2.51 0.00 0.00 175.55 172.92 2joz s LYS 65 N -2.40 1.08 -0.33 -3.49 1.02 0.68 -4.78 119.74 111.52 2joz s LYS 65 Ca -0.07 -1.09 -0.18 0.00 0.02 0.00 0.00 55.97 54.65 2joz s LYS 65 Cb -0.03 -1.28 -0.01 0.00 -0.52 0.00 0.00 37.83 35.99 2joz s LYS 65 CO -0.04 0.30 0.50 0.08 -0.92 0.00 0.00 175.35 175.26 2joz s VAL 66 N -1.14 5.04 -0.16 3.17 1.01 -1.26 -0.74 120.40 126.32 2joz s VAL 66 Ca 0.05 0.43 -0.20 0.00 0.00 0.00 0.00 61.98 62.25 2joz s VAL 66 Cb -0.10 -3.92 -0.17 0.00 0.00 0.00 0.00 36.38 32.19 2joz s VAL 66 CO 0.04 -0.13 0.36 0.40 0.00 0.00 0.00 175.10 175.76 2joz h ILE 67 N 5.56 1.03 -3.95 2.22 2.04 -1.05 -3.48 117.51 119.89 2joz h ILE 67 Ca -0.28 -1.96 -0.33 0.00 1.00 0.00 0.00 64.86 63.30 2joz h ILE 67 Cb 1.13 2.13 -0.21 0.00 -0.74 0.00 0.00 36.82 39.13 2joz h ILE 67 CO 0.75 0.35 -0.75 -0.44 0.00 0.00 0.00 178.15 178.06 2joz s SER 68 N -6.31 1.18 0.05 1.72 0.01 -0.82 -5.00 113.70 104.54 2joz s SER 68 Ca -0.20 -0.59 -0.12 0.00 1.31 0.00 0.00 55.95 56.35 2joz s SER 68 Cb 0.01 0.00 0.02 0.00 0.21 0.00 0.00 66.02 66.26 2joz s SER 68 CO 0.51 -0.16 0.27 -1.58 0.41 0.00 0.00 173.24 172.69 2joz s GLN 69 N -1.72 0.80 0.21 12.44 0.74 -1.26 -0.28 119.66 130.59 2joz s GLN 69 Ca -0.06 -0.58 0.09 0.00 0.05 0.00 0.00 55.36 54.85 2joz s GLN 69 Cb -0.09 0.34 -0.05 0.00 1.10 0.00 0.00 33.01 34.31 2joz s GLN 69 CO 0.01 -0.25 -0.16 0.45 -0.55 0.00 0.00 175.29 174.78 2joz s SER 70 N -2.17 2.78 0.30 6.67 0.15 -0.88 -4.98 113.70 115.57 2joz s SER 70 Ca -0.04 -0.98 0.06 0.00 0.70 0.00 0.00 55.95 55.69 2joz s SER 70 Cb -0.00 -0.17 0.48 0.00 -1.71 0.00 0.00 66.02 64.62 2joz s SER 70 CO -0.04 -0.10 1.73 0.00 1.20 0.00 0.00 173.24 176.03 2joz h THR 71 N 2.68 1.28 -0.50 6.45 1.03 -2.02 -3.42 112.91 118.41 2joz h THR 71 Ca -0.39 -1.35 0.06 0.00 -0.01 0.00 0.00 66.41 64.72 2joz h THR 71 Cb 1.22 1.53 -0.18 0.00 -1.07 0.00 0.00 68.15 69.66 2joz h THR 71 CO 0.59 0.41 -0.23 -0.62 -0.01 0.00 0.00 175.52 175.66 2joz s ASP 72 N -6.86 -0.78 0.00 0.00 2.15 -1.26 -4.87 116.67 105.06 2joz s ASP 72 Ca -0.05 -0.37 0.00 0.00 0.43 0.00 0.00 52.55 52.56 2joz s ASP 72 Cb 0.14 1.01 0.00 0.00 -0.30 0.00 0.00 42.92 43.77 2joz s ASP 72 CO 0.77 -0.09 0.00 0.61 -0.17 0.00 0.00 175.17 176.29 2joz n GLY 73 N 4.02 -2.18 3.05 2.66 0.00 -1.26 -5.03 105.19 106.44 2joz n GLY 73 Ca 0.08 0.69 -0.08 0.00 0.00 0.00 0.00 46.02 46.70 2joz n GLY 73 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2joz s SER 74 N 1.41 0.41 -0.01 1.61 0.15 -1.26 -1.85 113.70 114.15 2joz s SER 74 Ca 0.00 -0.79 0.02 0.00 0.70 0.00 0.00 55.95 55.88 2joz s SER 74 Cb 0.00 0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 2joz s SER 74 CO 0.00 -0.47 -0.06 -0.63 1.20 0.00 0.00 173.24 173.29 2joz s ILE 75 N -2.87 0.49 -0.18 6.45 1.01 0.11 -2.08 121.20 124.13 2joz s ILE 75 Ca -0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 60.65 60.40 2joz s ILE 75 Cb 0.00 -0.44 0.01 0.00 0.01 0.00 0.00 42.46 42.03 2joz s ILE 75 CO -0.06 0.16 -0.14 -0.70 0.00 0.00 0.00 174.94 174.20 2joz s GLU 76 N 0.15 3.17 0.07 2.79 2.12 0.62 -0.46 118.70 127.15 2joz s GLU 76 Ca -0.01 -0.75 0.04 0.00 0.36 0.00 0.00 54.97 54.61 2joz s GLU 76 Cb -0.06 -2.71 -0.03 0.00 0.26 0.00 0.00 34.13 31.59 2joz s GLU 76 CO -0.00 -0.14 -0.11 0.96 -0.54 0.00 0.00 175.26 175.43 2joz s ILE 77 N 1.20 0.89 -0.04 -3.70 -4.36 -0.92 -0.35 121.20 113.92 2joz s ILE 77 Ca 0.02 -1.33 0.05 0.00 -0.26 0.00 0.00 60.65 59.14 2joz s ILE 77 Cb -0.14 -1.01 -0.01 0.00 1.25 0.00 0.00 42.46 42.55 2joz s ILE 77 CO -0.06 -0.36 -0.19 -1.58 0.24 0.00 0.00 174.94 172.98 2joz s GLN 78 N -1.97 1.86 0.81 0.37 0.74 0.08 0.08 119.66 121.64 2joz s GLN 78 Ca -0.02 -0.69 -0.12 0.00 0.05 0.00 0.00 55.36 54.57 2joz s GLN 78 Cb -0.08 -1.66 0.08 0.00 1.10 0.00 0.00 33.01 32.45 2joz s GLN 78 CO 0.01 0.32 1.18 0.71 -0.55 0.00 0.00 175.29 176.97 2joz s TYR 79 N -0.15 2.93 0.04 1.67 2.02 -1.24 -0.23 117.35 122.38 2joz s TYR 79 Ca -0.00 0.75 0.04 0.00 -0.37 0.00 0.00 57.07 57.49 2joz s TYR 79 Cb -0.11 -3.51 -0.02 0.00 -0.40 0.00 0.00 41.96 37.93 2joz s TYR 79 CO 0.02 -1.80 -0.13 -0.51 -1.57 0.00 0.00 175.55 171.56 2joz s LEU 80 N -5.59 2.19 0.00 -1.29 1.43 0.96 -4.27 118.68 112.11 2joz s LEU 80 Ca 0.62 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 53.24 2joz s LEU 80 Cb -0.11 -0.50 0.00 0.00 0.03 0.00 0.00 46.19 45.61 2joz s LEU 80 CO 0.49 -0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.66 2joz n GLY 81 N 1.78 0.40 0.09 -3.19 0.00 -1.26 -3.86 105.19 99.15 2joz n GLY 81 Ca -0.19 -2.12 0.10 0.00 0.00 0.00 0.00 46.02 43.80 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 0.12 -2.43 1.61 -0.04 -1.26 -2.90 135.00 130.10 2joz n PRO 82 Ca 0.00 0.41 -0.20 0.00 -0.04 0.00 0.00 63.50 63.67 2joz n PRO 82 Cb 0.00 -1.76 0.02 0.00 -0.04 0.00 0.00 33.50 31.72 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 -1.99 2.60 0.07 0.54 4.01 -1.26 -4.88 117.16 116.24 2joz n TYR 83 Ca 0.02 -2.72 -0.18 0.00 -0.16 0.00 0.00 57.90 54.86 2joz n TYR 83 Cb 0.17 -0.22 -0.14 0.00 -0.31 0.00 0.00 39.34 38.84 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 2.56 0.51 0.00 -0.72 -0.00 -1.71 -3.35 116.97 114.25 2joz h TYR 84 Ca 0.20 -0.37 0.00 0.00 -0.00 0.00 0.00 58.73 58.56 2joz h TYR 84 Cb 1.17 -0.02 0.00 0.00 -0.00 0.00 0.00 36.73 37.88 2joz h TYR 84 CO 0.73 1.44 0.00 -0.35 -0.00 0.00 0.00 178.16 179.98 2joz n PRO 85 N -3.48 0.43 -3.49 0.10 -0.04 -1.26 -3.73 135.00 123.53 2joz n PRO 85 Ca -0.18 0.05 -0.42 0.00 -0.04 0.00 0.00 63.50 62.91 2joz n PRO 85 Cb 1.05 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.91 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 -2.44 5.06 0.61 1.53 2.96 -1.26 -5.03 118.68 120.11 2joz s LEU 86 Ca 0.25 -0.97 -0.05 0.00 -0.22 0.00 0.00 54.13 53.14 2joz s LEU 86 Cb 0.16 -2.12 0.02 0.00 0.50 0.00 0.00 46.19 44.75 2joz s LEU 86 CO 0.34 -0.45 0.91 -1.59 -1.32 0.00 0.00 176.35 174.23 2joz s LYS 87 N 1.64 2.72 0.19 1.98 -2.85 -1.26 -4.05 119.74 118.10 2joz s LYS 87 Ca 0.04 -0.15 0.04 0.00 -1.00 0.00 0.00 55.97 54.90 2joz s LYS 87 Cb -0.20 -2.28 -0.05 0.00 -2.06 0.00 0.00 37.83 33.25 2joz s LYS 87 CO 0.09 -0.81 -0.05 0.45 0.10 0.00 0.00 175.35 175.13 2joz s SER 88 N -4.36 1.80 0.01 0.03 0.15 0.11 -4.76 113.70 106.68 2joz s SER 88 Ca 0.55 -1.13 0.08 0.00 0.70 0.00 0.00 55.95 56.15 2joz s SER 88 Cb -0.11 0.00 -0.02 0.00 -1.71 0.00 0.00 66.02 64.19 2joz s SER 88 CO 0.44 -0.43 -0.25 -0.89 1.20 0.00 0.00 173.24 173.31 2joz s THR 89 N -3.38 1.96 -0.02 6.45 2.01 0.04 -2.17 115.64 120.53 2joz s THR 89 Ca 0.23 -1.16 0.04 0.00 0.31 0.00 0.00 61.69 61.12 2joz s THR 89 Cb 0.04 -1.65 -0.01 0.00 0.01 0.00 0.00 72.50 70.90 2joz s THR 89 CO 0.05 0.46 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.54 2joz s LEU 90 N -0.82 1.95 0.04 4.42 1.43 0.39 -0.04 118.68 126.05 2joz s LEU 90 Ca 0.10 -0.28 -0.03 0.00 -1.03 0.00 0.00 54.13 52.90 2joz s LEU 90 Cb -0.09 -0.78 -0.03 0.00 0.03 0.00 0.00 46.19 45.32 2joz s LEU 90 CO 0.00 0.15 0.02 -0.54 0.23 0.00 0.00 176.35 176.22 2joz s LYS 91 N -0.14 0.56 0.33 1.70 1.02 0.41 0.06 119.74 123.68 2joz s LYS 91 Ca 0.01 -0.95 -0.26 0.00 0.02 0.00 0.00 55.97 54.79 2joz s LYS 91 Cb -0.08 0.21 -0.10 0.00 -0.52 0.00 0.00 37.83 37.34 2joz s LYS 91 CO 0.00 -0.12 0.97 -0.98 -0.92 0.00 0.00 175.35 174.30 2joz s ARG 92 N -3.08 4.53 0.07 1.68 1.70 -0.77 0.68 118.95 123.77 2joz s ARG 92 Ca -0.01 1.39 0.00 0.00 -0.47 0.00 0.00 55.73 56.65 2joz s ARG 92 Cb 0.02 -2.80 0.00 0.00 -0.57 0.00 0.00 34.95 31.60 2joz s ARG 92 CO -0.07 0.22 0.01 0.41 -1.08 0.00 0.00 175.30 174.79 2joz n GLY 93 N 0.60 3.95 3.84 3.88 0.00 0.03 -4.69 105.19 112.80 2joz n GLY 93 Ca 0.02 -2.23 -0.32 0.00 0.00 0.00 0.00 46.02 43.49 2joz n GLY 93 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2joz s GLU 94 N -2.27 3.70 0.00 1.61 0.41 -1.26 -4.04 118.70 116.84 2joz s GLU 94 Ca 0.01 0.98 0.00 0.00 -0.41 0.00 0.00 54.97 55.55 2joz s GLU 94 Cb -0.00 -2.10 0.00 0.00 -1.78 0.00 0.00 34.13 30.25 2joz s GLU 94 CO 0.00 -0.48 0.00 0.09 -0.49 0.00 0.00 175.26 174.38 2joz n ASN 95 N -1.94 0.00 0.00 -0.19 3.02 -1.26 -2.29 115.26 112.61 2joz n ASN 95 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 2joz n ASN 95 Cb 0.54 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.71 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 0.00 3.87 7.41 0.00 -1.26 -5.17 105.19 110.03 2joz n GLY 96 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 2.40 -0.09 2.61 -4.23 -0.97 -4.30 115.64 111.07 2joz s THR 97 Ca 0.00 -1.41 0.04 0.00 -1.18 0.00 0.00 61.69 59.15 2joz s THR 97 Cb 0.00 -2.81 -0.01 0.00 1.34 0.00 0.00 72.50 71.02 2joz s THR 97 CO 0.00 0.00 -0.22 -0.22 -0.54 0.00 0.00 174.62 173.64 2joz s LEU 98 N -4.15 2.23 -0.42 4.79 2.96 -0.00 -0.79 118.68 123.31 2joz s LEU 98 Ca 0.45 -0.48 -0.17 0.00 -0.22 0.00 0.00 54.13 53.72 2joz s LEU 98 Cb -0.02 -1.44 0.02 0.00 0.50 0.00 0.00 46.19 45.25 2joz s LEU 98 CO 0.26 0.21 0.40 -0.63 -1.32 0.00 0.00 176.35 175.26 2joz s ILE 99 N 0.08 5.14 -0.32 6.68 1.01 0.22 0.07 121.20 134.07 2joz s ILE 99 Ca -0.10 -0.44 -0.10 0.00 0.00 0.00 0.00 60.65 60.01 2joz s ILE 99 Cb -0.16 -4.01 -0.00 0.00 0.01 0.00 0.00 42.46 38.30 2joz s ILE 99 CO 0.06 -0.39 0.17 0.86 0.00 0.00 0.00 174.94 175.64 2joz s TRP 100 N 2.00 3.19 -0.13 3.97 -0.11 0.13 -0.45 118.94 127.54 2joz s TRP 100 Ca 0.10 -0.58 -0.01 0.00 1.22 0.00 0.00 56.10 56.83 2joz s TRP 100 Cb -0.18 -2.37 -0.02 0.00 -1.50 0.00 0.00 33.47 29.40 2joz s TRP 100 CO 0.13 -0.47 -0.10 -1.21 -4.62 0.00 0.00 176.95 170.68 2joz s GLU 101 N 1.62 3.35 -0.17 5.86 2.02 0.95 -0.51 118.70 131.81 2joz s GLU 101 Ca 0.04 -0.63 -0.10 0.00 0.02 0.00 0.00 54.97 54.30 2joz s GLU 101 Cb -0.17 -2.69 0.06 0.00 0.10 0.00 0.00 34.13 31.43 2joz s GLU 101 CO 0.07 0.29 0.42 -1.14 0.02 0.00 0.00 175.26 174.92 2joz s GLN 102 N 0.18 0.41 -0.29 1.61 -0.44 -0.60 -0.78 119.66 119.74 2joz s GLN 102 Ca -0.06 0.77 0.00 0.00 -2.50 0.00 0.00 55.36 53.58 2joz s GLN 102 Cb -0.15 0.01 0.00 0.00 -1.64 0.00 0.00 33.01 31.24 2joz s GLN 102 CO 0.04 -0.15 0.00 -1.71 0.50 0.00 0.00 175.29 173.98 2joz n ASN 103 N 4.08 -4.80 0.00 6.67 2.85 -1.26 -0.58 115.26 122.22 2joz n ASN 103 Ca -0.22 0.07 0.00 0.00 -0.11 0.00 0.00 54.58 54.32 2joz n ASN 103 Cb 0.56 -2.55 0.00 0.00 1.24 0.00 0.00 39.78 39.03 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 -0.70 0.75 3.78 8.20 0.00 -1.26 -5.05 105.19 110.91 2joz n GLY 104 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.68 4.14 -0.31 1.61 -1.52 0.25 -5.06 119.66 118.09 2joz s GLN 105 Ca 0.00 0.43 -0.11 0.00 -1.95 0.00 0.00 55.36 53.73 2joz s GLN 105 Cb 0.00 -3.33 -0.02 0.00 -0.22 0.00 0.00 33.01 29.44 2joz s GLN 105 CO 0.00 0.44 0.18 0.50 -0.25 0.00 0.00 175.29 176.16 2joz s ARG 106 N -0.27 3.53 -0.12 2.91 3.52 -1.26 -1.56 118.95 125.70 2joz s ARG 106 Ca 0.24 -0.60 0.02 0.00 -0.13 0.00 0.00 55.73 55.27 2joz s ARG 106 Cb -0.16 -3.64 -0.00 0.00 -1.56 0.00 0.00 34.95 29.59 2joz s ARG 106 CO 0.12 -0.36 -0.20 0.15 -0.81 0.00 0.00 175.30 174.20 2joz s LYS 107 N 1.68 3.15 -0.28 5.12 -0.14 0.33 -4.99 119.74 124.61 2joz s LYS 107 Ca 0.06 -0.81 -0.16 0.00 -1.36 0.00 0.00 55.97 53.70 2joz s LYS 107 Cb -0.17 -2.45 -0.03 0.00 -1.68 0.00 0.00 37.83 33.50 2joz s LYS 107 CO 0.08 0.13 0.41 0.99 -0.76 0.00 0.00 175.35 176.20 2joz s THR 108 N 0.50 5.14 -0.12 2.17 2.01 -1.26 0.18 115.64 124.27 2joz s THR 108 Ca -0.13 0.57 -0.03 0.00 0.31 0.00 0.00 61.69 62.41 2joz s THR 108 Cb -0.17 -3.75 -0.03 0.00 0.01 0.00 0.00 72.50 68.56 2joz s THR 108 CO 0.05 0.09 -0.00 -0.04 -0.69 0.00 0.00 174.62 174.03 2joz s MET 109 N 2.14 3.35 0.06 4.92 1.00 0.11 -4.96 119.30 125.93 2joz s MET 109 Ca 0.16 -0.44 -0.06 0.00 0.00 0.00 0.00 55.69 55.36 2joz s MET 109 Cb -0.16 -2.89 -0.05 0.00 0.00 0.00 0.00 34.83 31.73 2joz s MET 109 CO 0.10 0.49 0.32 0.99 0.00 0.00 0.00 175.02 176.92 2joz s THR 110 N -0.30 5.24 -0.15 2.05 2.01 -1.23 -0.82 115.64 122.45 2joz s THR 110 Ca 0.06 0.12 -0.17 0.00 0.31 0.00 0.00 61.69 62.02 2joz s THR 110 Cb -0.12 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 2joz s THR 110 CO 0.02 0.24 0.42 -0.60 -0.69 0.00 0.00 174.62 174.01 2joz s ARG 111 N -2.11 4.29 0.35 4.92 3.52 -1.26 0.38 118.95 129.04 2joz s ARG 111 Ca 0.33 0.32 -0.16 0.00 -0.13 0.00 0.00 55.73 56.09 2joz s ARG 111 Cb -0.13 -3.46 -0.09 0.00 -1.56 0.00 0.00 34.95 29.71 2joz s ARG 111 CO 0.20 0.13 0.79 0.42 -0.81 0.00 0.00 175.30 176.03 2joz s ILE 112 N 0.76 4.62 -0.62 4.11 -1.09 0.71 -4.93 121.20 124.76 2joz s ILE 112 Ca 0.22 1.06 -0.19 0.00 -2.23 0.00 0.00 60.65 59.52 2joz s ILE 112 Cb -0.15 -3.61 0.11 0.00 -1.58 0.00 0.00 42.46 37.23 2joz s ILE 112 CO 0.08 -0.24 0.74 -1.61 -1.23 0.00 0.00 174.94 172.69 2joz s GLU 113 N -3.08 3.09 0.24 2.79 2.02 -1.26 -4.62 118.70 117.88 2joz s GLU 113 Ca 0.56 -1.33 -0.16 0.00 0.02 0.00 0.00 54.97 54.06 2joz s GLU 113 Cb -0.10 -4.29 0.01 0.00 0.10 0.00 0.00 34.13 29.85 2joz s GLU 113 CO 0.17 -1.57 0.55 0.45 0.02 0.00 0.00 175.26 174.88 2joz s SER 114 N 3.60 -0.17 -1.59 -0.19 0.15 -1.26 -4.92 113.70 109.31 2joz s SER 114 Ca 0.13 -0.74 -0.01 0.00 0.70 0.00 0.00 55.95 56.04 2joz s SER 114 Cb -0.22 0.62 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 2joz s SER 114 CO 0.05 -1.17 0.13 0.29 1.20 0.00 0.00 173.24 173.74 2joz n LYS 115 N -0.39 -2.42 -0.71 5.44 5.02 -1.26 -4.83 118.16 119.01 2joz n LYS 115 Ca -0.04 0.90 -0.07 0.00 -2.02 0.00 0.00 58.31 57.07 2joz n LYS 115 Cb 0.61 -5.59 -0.09 0.00 -0.02 0.00 0.00 35.03 29.94 2joz n LYS 115 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2joz n THR 116 N -3.98 2.29 0.00 -0.18 -1.04 -1.26 -3.88 114.28 106.23 2joz n THR 116 Ca -0.20 -0.99 0.00 0.00 -2.04 0.00 0.00 64.05 60.82 2joz n THR 116 Cb 0.66 -1.76 0.00 0.00 -1.82 0.00 0.00 70.33 67.41 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 2.21 1.67 2.85 3.41 0.00 -1.26 -5.10 105.19 108.97 2joz n GLY 117 Ca 0.24 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.43 0.03 0.05 1.61 3.00 -1.25 -5.12 118.95 116.84 2joz s ARG 118 Ca 0.00 0.29 -0.32 0.00 -1.00 0.00 0.00 55.73 54.69 2joz s ARG 118 Cb 0.00 -0.21 -0.11 0.00 0.00 0.00 0.00 34.95 34.63 2joz s ARG 118 CO 0.00 -0.17 1.84 -1.91 0.00 0.00 0.00 175.30 175.06 2joz n GLU 119 N 4.19 2.52 -3.86 5.12 4.07 -1.26 -4.40 120.64 127.02 2joz n GLU 119 Ca -0.27 0.92 -0.29 0.00 -0.06 0.00 0.00 57.16 57.46 2joz n GLU 119 Cb 0.51 -2.79 -0.16 0.00 -0.06 0.00 0.00 31.44 28.94 2joz n GLU 119 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 2joz s GLU 120 N 3.19 1.25 0.32 5.31 2.12 -1.26 -5.04 118.70 124.59 2joz s GLU 120 Ca 0.86 -0.73 -0.20 0.00 0.36 0.00 0.00 54.97 55.26 2joz s GLU 120 Cb -0.57 -2.35 -0.09 0.00 0.26 0.00 0.00 34.13 31.38 2joz s GLU 120 CO 0.43 -0.59 0.84 0.21 -0.54 0.00 0.00 175.26 175.60 2joz s LYS 121 N 1.59 4.27 0.73 4.30 2.20 -1.26 -5.06 119.74 126.51 2joz s LYS 121 Ca -0.03 0.99 -0.11 0.00 -0.36 0.00 0.00 55.97 56.46 2joz s LYS 121 Cb -0.18 -2.58 0.03 0.00 -1.51 0.00 0.00 37.83 33.59 2joz s LYS 121 CO -0.07 0.21 1.07 -0.51 -0.36 0.00 0.00 175.35 175.69 2joz s ASP 122 N -1.92 5.01 0.07 1.43 1.11 -1.26 -5.07 116.67 116.05 2joz s ASP 122 Ca 0.52 1.64 0.05 0.00 0.18 0.00 0.00 52.55 54.94 2joz s ASP 122 Cb -0.14 -2.45 -0.04 0.00 1.07 0.00 0.00 42.92 41.36 2joz s ASP 122 CO 0.19 -1.68 -0.04 -0.70 1.18 0.00 0.00 175.17 174.11 2joz s GLU 123 N -5.01 2.43 -0.23 8.23 2.56 -1.26 -5.11 118.70 120.31 2joz s GLU 123 Ca 0.59 -0.86 -0.03 0.00 0.00 0.00 0.00 54.97 54.67 2joz s GLU 123 Cb -0.15 -2.47 0.01 0.00 2.00 0.00 0.00 34.13 33.52 2joz s GLU 123 CO 0.55 0.55 -0.06 0.21 -0.56 0.00 0.00 175.26 175.95 2joz s LYS 124 N -2.07 3.15 -0.03 4.30 2.20 -1.26 -4.71 119.74 121.32 2joz s LYS 124 Ca 0.22 -0.77 -0.00 0.00 -0.36 0.00 0.00 55.97 55.07 2joz s LYS 124 Cb -0.11 -2.96 0.03 0.00 -1.51 0.00 0.00 37.83 33.27 2joz s LYS 124 CO 0.14 -0.27 0.02 -1.12 -0.36 0.00 0.00 175.35 173.76 2joz s SER 125 N 1.41 0.41 -0.48 1.43 0.01 -1.26 -5.06 113.70 110.15 2joz s SER 125 Ca 0.04 0.01 -0.17 0.00 1.31 0.00 0.00 55.95 57.14 2joz s SER 125 Cb -0.15 -0.16 0.07 0.00 0.21 0.00 0.00 66.02 65.99 2joz s SER 125 CO -0.05 -0.13 0.46 -0.75 0.41 0.00 0.00 173.24 173.18 2joz s LYS 126 N 1.20 3.02 -0.16 12.44 2.20 -1.26 -4.56 119.74 132.62 2joz s LYS 126 Ca -0.07 -1.21 -0.04 0.00 -0.36 0.00 0.00 55.97 54.29 2joz s LYS 126 Cb -0.13 -4.12 -0.03 0.00 -1.51 0.00 0.00 37.83 32.04 2joz s LYS 126 CO -0.02 -1.08 -0.04 0.45 -0.36 0.00 0.00 175.35 174.30 2joz s SER 127 N 2.61 4.71 -0.71 1.43 0.15 -1.26 -5.06 113.70 115.57 2joz s SER 127 Ca 0.07 -0.17 -0.24 0.00 0.70 0.00 0.00 55.95 56.32 2joz s SER 127 Cb -0.23 -1.77 0.06 0.00 -1.71 0.00 0.00 66.02 62.37 2joz s SER 127 CO 0.08 0.15 1.09 -0.22 1.20 0.00 0.00 173.24 175.55 2joz s LEU 128 N 0.48 3.98 0.07 3.45 2.96 -1.26 -4.98 118.68 123.38 2joz s LEU 128 Ca -0.04 -0.88 -0.06 0.00 -0.22 0.00 0.00 54.13 52.93 2joz s LEU 128 Cb -0.14 -2.47 -0.02 0.00 0.50 0.00 0.00 46.19 44.06 2joz s LEU 128 CO 0.03 -1.56 0.10 -1.83 -1.32 0.00 0.00 176.35 171.77 2joz s GLU 129 N 4.58 0.72 0.00 1.98 -1.05 -1.26 -5.02 118.70 118.65 2joz s GLU 129 Ca 0.28 -1.01 0.09 0.00 -0.15 0.00 0.00 54.97 54.18 2joz s GLU 129 Cb -0.13 0.28 0.15 0.00 -0.44 0.00 0.00 34.13 33.99 2joz s GLU 129 CO 0.10 -0.19 1.05 0.72 0.95 0.00 0.00 175.26 177.88 2joz n HIS 130 N 0.13 0.00 -1.65 4.83 8.25 -1.26 -5.11 115.22 120.41 2joz n HIS 130 Ca -0.15 -0.18 -0.44 0.00 -0.26 0.00 0.00 57.72 56.68 2joz n HIS 130 Cb 0.61 -0.07 -0.02 0.00 1.12 0.00 0.00 29.99 31.64 2joz n HIS 130 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2joz n HIS 131 N 0.18 1.90 -3.43 4.41 1.44 -1.26 -4.99 115.22 113.46 2joz n HIS 131 Ca 0.02 0.57 -0.24 0.00 -2.01 0.00 0.00 57.72 56.06 2joz n HIS 131 Cb 0.85 -2.37 -0.11 0.00 0.12 0.00 0.00 29.99 28.49 2joz n HIS 131 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2joz s HIS 132 N -0.74 0.26 -0.04 -1.40 3.76 -1.22 -5.09 115.29 110.82 2joz s HIS 132 Ca 0.61 -1.20 -0.30 0.00 -0.15 0.00 0.00 55.06 54.02 2joz s HIS 132 Cb -0.65 -0.71 -0.04 0.00 1.11 0.00 0.00 32.58 32.30 2joz s HIS 132 CO 0.58 -0.88 1.24 -3.38 -0.85 0.00 0.00 174.74 171.44 2joz s HIS 133 N 1.35 3.13 0.26 1.40 -3.43 -1.25 -4.81 115.29 111.94 2joz s HIS 133 Ca 0.16 1.14 -0.02 0.00 -0.80 0.00 0.00 55.06 55.55 2joz s HIS 133 Cb -0.19 -3.47 -0.02 0.00 -1.43 0.00 0.00 32.58 27.47 2joz s HIS 133 CO -0.05 -1.53 0.29 -3.38 -2.00 0.00 0.00 174.74 168.07 2joz s HIS 134 N 2.22 1.11 -2.00 0.38 -3.43 -1.26 -5.13 115.29 107.17 2joz s HIS 134 Ca 0.57 -1.29 0.32 0.00 -0.80 0.00 0.00 55.06 53.86 2joz s HIS 134 Cb -0.26 -0.36 1.90 0.00 -1.43 0.00 0.00 32.58 32.44 2joz s HIS 134 CO 0.23 -0.85 2.23 1.58 -2.00 0.00 0.00 174.74 175.93