#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 4.83 -0.02 2.02 1.09 -1.26 -5.04 121.20 122.82 2joz s ILE 2 Ca 0.00 1.84 0.02 0.00 -1.10 0.00 0.00 60.65 61.41 2joz s ILE 2 Cb 0.00 -4.23 0.00 0.00 -1.06 0.00 0.00 42.46 37.18 2joz s ILE 2 CO 0.00 0.01 -0.09 0.00 -0.10 0.00 0.00 174.94 174.76 2joz s MET 3 N 2.14 0.93 -0.38 2.79 0.23 -1.26 -5.12 119.30 118.64 2joz s MET 3 Ca 0.43 -0.30 -0.13 0.00 -1.03 0.00 0.00 55.69 54.66 2joz s MET 3 Cb -0.17 -0.87 0.01 0.00 -1.53 0.00 0.00 34.83 32.26 2joz s MET 3 CO 0.14 0.11 0.26 0.08 -2.03 0.00 0.00 175.02 173.58 2joz s VAL 4 N 0.19 5.11 -0.11 5.16 1.01 -1.26 -5.04 120.40 125.46 2joz s VAL 4 Ca -0.03 -0.56 -0.19 0.00 0.00 0.00 0.00 61.98 61.21 2joz s VAL 4 Cb -0.08 -3.77 0.04 0.00 0.00 0.00 0.00 36.38 32.57 2joz s VAL 4 CO 0.00 -0.19 0.46 -0.94 0.00 0.00 0.00 175.10 174.43 2joz s SER 5 N 1.67 -0.43 0.00 3.32 1.04 -1.26 -4.96 113.70 113.08 2joz s SER 5 Ca 0.05 0.65 0.00 0.00 0.48 0.00 0.00 55.95 57.13 2joz s SER 5 Cb -0.18 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.63 2joz s SER 5 CO 0.09 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.59 2joz n GLY 6 N 2.01 1.76 2.74 7.32 0.00 -1.26 -4.71 105.19 113.04 2joz n GLY 6 Ca -0.17 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 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 6.10 1.49 -0.29 0.00 6.02 -1.26 -4.91 117.38 124.53 2joz n GLN 8 Ca 0.52 -4.17 0.07 0.00 -0.01 0.00 0.00 57.00 53.41 2joz n GLN 8 Cb 0.39 -2.11 0.21 0.00 1.02 0.00 0.00 30.24 29.75 2joz n GLN 8 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2joz n GLN 9 N 2.05 2.30 -2.62 -1.09 0.00 -1.26 -4.78 117.38 111.97 2joz n GLN 9 Ca 0.23 -1.72 -0.42 0.00 0.00 0.00 0.00 57.00 55.10 2joz n GLN 9 Cb 0.39 -1.46 -0.03 0.00 0.00 0.00 0.00 30.24 29.14 2joz n GLN 9 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.06 178.20 2joz s GLN 10 N -1.50 3.21 0.36 2.61 -2.07 -1.26 -4.85 119.66 116.16 2joz s GLN 10 Ca 0.31 -0.31 0.16 0.00 -1.82 0.00 0.00 55.36 53.70 2joz s GLN 10 Cb 0.18 -4.17 0.68 0.00 -1.09 0.00 0.00 33.01 28.61 2joz s GLN 10 CO 0.19 -2.02 1.76 -0.22 -1.32 0.00 0.00 175.29 173.68 2joz h LYS 11 N 9.87 0.00 -6.12 9.60 3.64 -2.05 -3.42 116.57 128.09 2joz h LYS 11 Ca -0.28 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.58 2joz h LYS 11 Cb 1.06 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.84 2joz h LYS 11 CO 1.25 0.41 1.30 -1.21 -2.27 0.00 0.00 179.45 178.92 2joz s GLU 12 N -3.79 2.91 0.30 1.90 2.02 -1.26 -4.92 118.70 115.86 2joz s GLU 12 Ca -0.01 0.80 -0.01 0.00 0.02 0.00 0.00 54.97 55.77 2joz s GLU 12 Cb 0.12 -4.30 -0.01 0.00 0.10 0.00 0.00 34.13 30.04 2joz s GLU 12 CO 0.70 -2.39 0.36 -2.00 0.02 0.00 0.00 175.26 171.95 2joz s GLU 13 N 6.46 1.69 -0.05 1.61 -6.30 -1.26 -5.12 118.70 115.73 2joz s GLU 13 Ca 0.68 -1.73 -0.30 0.00 -2.50 0.00 0.00 54.97 51.13 2joz s GLU 13 Cb -0.15 0.39 -0.07 0.00 0.00 0.00 0.00 34.13 34.30 2joz s GLU 13 CO 0.25 -0.66 1.87 0.99 0.02 0.00 0.00 175.26 177.72 2joz s THR 14 N -3.49 3.26 -0.40 -1.70 2.01 -1.26 -4.94 115.64 109.12 2joz s THR 14 Ca 0.33 0.31 -0.29 0.00 0.31 0.00 0.00 61.69 62.36 2joz s THR 14 Cb 0.02 -3.23 0.01 0.00 0.01 0.00 0.00 72.50 69.31 2joz s THR 14 CO 0.19 -0.06 1.36 -2.84 -0.69 0.00 0.00 174.62 172.58 2joz s PRO 15 N 4.60 3.65 0.43 4.92 0.02 -1.26 -4.91 135.00 142.45 2joz s PRO 15 Ca 0.83 0.94 0.13 0.00 0.02 0.00 0.00 61.00 62.92 2joz s PRO 15 Cb -0.37 -3.99 0.93 0.00 0.02 0.00 0.00 34.50 31.10 2joz s PRO 15 CO 0.36 -1.47 1.97 0.27 -0.33 0.00 0.00 177.00 177.80 2joz h PHE 16 N 10.28 0.09 0.00 6.54 -0.00 -1.92 -2.61 116.94 129.33 2joz h PHE 16 Ca -0.27 -0.01 0.00 0.00 -0.00 0.00 0.00 57.97 57.69 2joz h PHE 16 Cb 1.10 -0.03 0.00 0.00 -0.00 0.00 0.00 35.95 37.02 2joz h PHE 16 CO 0.96 0.24 -0.28 2.48 -0.00 0.00 0.00 178.31 181.70 2joz n TYR 17 N -4.32 0.49 -2.67 6.09 4.11 -1.26 -4.88 117.16 114.73 2joz n TYR 17 Ca -0.02 0.14 -0.40 0.00 -0.00 0.00 0.00 57.90 57.62 2joz n TYR 17 Cb 0.24 -0.66 -0.05 0.00 -0.00 0.00 0.00 39.34 38.87 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 -3.09 3.83 -2.42 -3.48 5.04 -0.98 -4.77 117.35 111.48 2joz s TYR 18 Ca 0.10 1.81 0.00 0.00 -2.44 0.00 0.00 57.07 56.54 2joz s TYR 18 Cb 0.15 -3.09 0.00 0.00 0.35 0.00 0.00 41.96 39.37 2joz s TYR 18 CO 0.64 0.10 0.00 0.41 -1.34 0.00 0.00 175.55 175.36 2joz n GLY 19 N 1.70 0.71 3.38 8.97 0.00 -1.25 -5.02 105.19 113.67 2joz n GLY 19 Ca -0.00 -2.10 -0.35 0.00 0.00 0.00 0.00 46.02 43.57 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 -1.30 3.69 -0.01 2.61 2.01 -1.26 -1.73 115.64 119.64 2joz s THR 20 Ca 0.00 -0.39 0.00 0.00 0.31 0.00 0.00 61.69 61.61 2joz s THR 20 Cb 0.00 -2.68 -0.04 0.00 0.01 0.00 0.00 72.50 69.79 2joz s THR 20 CO 0.00 0.42 0.03 0.26 -0.69 0.00 0.00 174.62 174.64 2joz s TRP 21 N 1.29 3.17 -0.26 4.92 0.52 0.74 -1.23 118.94 128.10 2joz s TRP 21 Ca 0.04 0.14 -0.08 0.00 0.02 0.00 0.00 56.10 56.22 2joz s TRP 21 Cb -0.14 -1.71 -0.03 0.00 -1.15 0.00 0.00 33.47 30.43 2joz s TRP 21 CO -0.00 0.50 0.10 0.34 0.02 0.00 0.00 176.95 177.91 2joz s ASP 22 N -1.54 5.40 -0.43 2.95 2.15 0.22 -0.17 116.67 125.25 2joz s ASP 22 Ca 0.20 -0.14 -0.03 0.00 0.43 0.00 0.00 52.55 53.00 2joz s ASP 22 Cb -0.12 -1.98 0.08 0.00 -0.30 0.00 0.00 42.92 40.61 2joz s ASP 22 CO 0.11 -0.03 2.67 -0.62 -0.17 0.00 0.00 175.17 177.12 2joz n GLU 23 N 4.91 2.32 -0.75 4.34 1.02 0.21 -1.04 120.64 131.65 2joz n GLU 23 Ca -0.16 -2.23 -0.07 0.00 -0.02 0.00 0.00 57.16 54.68 2joz n GLU 23 Cb 0.52 -2.07 -0.11 0.00 -0.02 0.00 0.00 31.44 29.76 2joz n GLU 23 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2joz n GLY 24 N 0.80 2.61 3.59 0.62 0.00 -1.26 -4.08 105.19 107.46 2joz n GLY 24 Ca 0.46 -0.75 -0.14 0.00 0.00 0.00 0.00 46.02 45.59 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 0.96 0.82 0.33 1.61 6.06 -1.26 -5.01 118.95 122.45 2joz s ARG 25 Ca 0.42 0.60 0.00 0.00 -2.50 0.00 0.00 55.73 54.25 2joz s ARG 25 Cb 0.20 0.39 0.00 0.00 0.06 0.00 0.00 34.95 35.60 2joz s ARG 25 CO 0.00 -0.17 0.00 0.00 -2.50 0.00 0.00 175.30 172.63 2joz n ALA 26 N 1.83 -2.16 -1.83 6.12 0.00 -1.26 -4.84 120.51 118.37 2joz n ALA 26 Ca -0.15 0.48 -0.41 0.00 0.00 0.00 0.00 53.44 53.36 2joz n ALA 26 Cb 0.56 -0.87 -0.02 0.00 0.00 0.00 0.00 19.45 19.12 2joz n ALA 26 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2joz s PRO 27 N -3.33 4.21 0.00 0.00 0.02 -1.26 -5.02 135.00 129.62 2joz s PRO 27 Ca 0.00 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.42 2joz s PRO 27 Cb 0.00 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.45 2joz s PRO 27 CO 0.00 -0.49 0.00 0.41 -0.33 0.00 0.00 177.00 176.59 2joz n GLY 28 N 2.04 5.98 3.66 0.52 0.00 -1.26 -5.08 105.19 111.04 2joz n GLY 28 Ca 0.07 -1.73 -0.56 0.00 0.00 0.00 0.00 46.02 43.79 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 -4.85 135.00 131.53 2joz n PRO 29 Ca 0.00 0.39 0.14 0.00 -0.04 0.00 0.00 63.50 63.99 2joz n PRO 29 Cb 0.00 -2.04 0.61 0.00 -0.04 0.00 0.00 33.50 32.03 2joz n PRO 29 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2joz n THR 30 N 3.62 0.00 -0.08 0.52 5.66 -1.26 -3.31 114.28 119.43 2joz n THR 30 Ca 0.23 -0.01 0.16 0.00 -3.05 0.00 0.00 64.05 61.38 2joz n THR 30 Cb 0.15 -0.34 0.57 0.00 -1.55 0.00 0.00 70.33 69.16 2joz n THR 30 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 2joz h ASP 31 N 0.10 0.25 0.00 1.09 3.58 -2.06 -3.43 116.42 115.95 2joz h ASP 31 Ca 0.00 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2joz h ASP 31 Cb 0.42 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.43 2joz h ASP 31 CO 0.00 0.14 0.00 0.61 -2.88 0.00 0.00 179.24 177.11 2joz n GLY 32 N -1.56 0.34 3.80 -0.78 0.00 -1.23 -5.14 105.19 100.61 2joz n GLY 32 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.68 5.15 0.09 1.61 1.01 -1.21 -4.59 120.40 121.79 2joz s VAL 33 Ca 0.00 0.74 -0.14 0.00 0.00 0.00 0.00 61.98 62.58 2joz s VAL 33 Cb 0.00 -3.68 -0.16 0.00 0.00 0.00 0.00 36.38 32.54 2joz s VAL 33 CO 0.00 0.50 1.29 0.11 0.00 0.00 0.00 175.10 177.01 2joz h LYS 34 N 5.45 0.73 -2.83 2.72 1.79 -1.71 -3.46 116.57 119.26 2joz h LYS 34 Ca -0.48 -0.58 0.01 0.00 -2.18 0.00 0.00 60.65 57.42 2joz h LYS 34 Cb 1.20 0.12 -0.12 0.00 -1.58 0.00 0.00 32.23 31.84 2joz h LYS 34 CO 0.66 1.20 0.28 -1.12 -1.08 0.00 0.00 179.45 179.39 2joz s SER 35 N -6.97 -0.51 -0.05 0.86 0.01 -1.22 -4.93 113.70 100.89 2joz s SER 35 Ca -0.11 -0.02 0.05 0.00 1.31 0.00 0.00 55.95 57.18 2joz s SER 35 Cb 0.08 0.55 -0.01 0.00 0.21 0.00 0.00 66.02 66.86 2joz s SER 35 CO 0.88 -0.90 -0.21 0.00 0.41 0.00 0.00 173.24 173.42 2joz s ALA 36 N -3.61 1.85 -0.15 1.44 0.00 -1.26 -0.38 121.76 119.66 2joz s ALA 36 Ca 0.02 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.12 2joz s ALA 36 Cb -0.01 -0.59 0.00 0.00 0.00 0.00 0.00 23.12 22.52 2joz s ALA 36 CO -0.11 0.35 -0.17 0.95 0.00 0.00 0.00 175.76 176.77 2joz s THR 37 N -0.07 2.51 -0.12 0.00 -4.23 0.83 0.66 115.64 115.22 2joz s THR 37 Ca -0.03 -0.83 0.03 0.00 -1.18 0.00 0.00 61.69 59.67 2joz s THR 37 Cb -0.13 -2.04 0.00 0.00 1.34 0.00 0.00 72.50 71.68 2joz s THR 37 CO 0.03 0.53 -0.21 0.54 -0.54 0.00 0.00 174.62 174.96 2joz s VAL 38 N 0.76 2.23 -0.21 2.29 0.11 0.76 -0.34 120.40 126.00 2joz s VAL 38 Ca -0.07 -0.94 -0.07 0.00 -2.93 0.00 0.00 61.98 57.97 2joz s VAL 38 Cb -0.16 -1.89 -0.03 0.00 -1.53 0.00 0.00 36.38 32.78 2joz s VAL 38 CO 0.00 0.55 0.05 -0.89 -3.33 0.00 0.00 175.10 171.48 2joz s THR 39 N 0.56 4.40 -0.28 5.04 2.01 -0.12 -0.19 115.64 127.06 2joz s THR 39 Ca -0.12 -0.16 -0.10 0.00 0.31 0.00 0.00 61.69 61.62 2joz s THR 39 Cb -0.17 -3.01 -0.03 0.00 0.01 0.00 0.00 72.50 69.30 2joz s THR 39 CO 0.04 0.40 0.15 -0.36 -0.69 0.00 0.00 174.62 174.16 2joz s PHE 40 N 1.03 3.17 0.59 4.92 0.08 -0.71 -1.86 117.98 125.20 2joz s PHE 40 Ca 0.03 -0.18 0.10 0.00 0.12 0.00 0.00 56.93 57.00 2joz s PHE 40 Cb -0.14 -2.34 0.09 0.00 -0.57 0.00 0.00 43.02 40.06 2joz s PHE 40 CO 0.03 -0.29 0.80 0.95 -0.10 0.00 0.00 175.22 176.61 2joz s THR 41 N 1.69 2.03 0.22 0.64 -4.23 -0.55 -3.90 115.64 111.54 2joz s THR 41 Ca 0.06 -1.02 -0.03 0.00 -1.18 0.00 0.00 61.69 59.53 2joz s THR 41 Cb -0.16 -2.04 0.02 0.00 1.34 0.00 0.00 72.50 71.65 2joz s THR 41 CO 0.08 0.00 1.62 -0.08 -0.54 0.00 0.00 174.62 175.70 2joz h GLU 42 N 0.15 0.66 0.00 3.99 4.81 -1.99 -3.29 114.58 118.91 2joz h GLU 42 Ca -0.29 -0.30 0.00 0.00 -0.13 0.00 0.00 59.36 58.64 2joz h GLU 42 Cb 1.29 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.65 2joz h GLU 42 CO 0.41 0.89 -0.57 -0.25 -0.73 0.00 0.00 179.01 178.76 2joz n ASP 43 N -4.08 0.83 -4.04 1.04 8.00 -1.26 -4.87 116.55 112.18 2joz n ASP 43 Ca -0.01 -0.58 -0.15 0.00 0.71 0.00 0.00 54.79 54.76 2joz n ASP 43 Cb 0.47 1.07 -0.13 0.00 -0.02 0.00 0.00 41.12 42.51 2joz n ASP 43 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2joz s GLU 44 N -1.94 0.56 -0.24 -1.24 2.02 -1.24 0.05 118.70 116.67 2joz s GLU 44 Ca 0.02 -0.56 -0.04 0.00 0.02 0.00 0.00 54.97 54.41 2joz s GLU 44 Cb 0.06 -0.44 0.00 0.00 0.10 0.00 0.00 34.13 33.85 2joz s GLU 44 CO 0.35 0.10 -0.03 0.08 0.02 0.00 0.00 175.26 175.79 2joz s VAL 45 N -0.85 3.38 -0.22 2.63 1.01 0.17 -1.48 120.40 125.04 2joz s VAL 45 Ca -0.04 -0.61 -0.05 0.00 0.00 0.00 0.00 61.98 61.27 2joz s VAL 45 Cb -0.07 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 2joz s VAL 45 CO 0.00 0.33 0.01 -0.69 0.00 0.00 0.00 175.10 174.75 2joz s VAL 46 N 1.46 3.91 -0.14 2.92 1.01 -0.78 -1.31 120.40 127.47 2joz s VAL 46 Ca 0.04 -0.32 -0.04 0.00 0.00 0.00 0.00 61.98 61.67 2joz s VAL 46 Cb -0.15 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 2joz s VAL 46 CO -0.03 0.41 -0.00 -0.70 0.00 0.00 0.00 175.10 174.78 2joz s GLU 47 N 1.23 3.53 -0.05 2.72 2.12 -1.26 -0.94 118.70 126.04 2joz s GLU 47 Ca 0.03 -0.45 0.04 0.00 0.36 0.00 0.00 54.97 54.96 2joz s GLU 47 Cb -0.15 -2.94 -0.00 0.00 0.26 0.00 0.00 34.13 31.30 2joz s GLU 47 CO 0.01 0.39 -0.19 0.99 -0.54 0.00 0.00 175.26 175.92 2joz s THR 48 N -0.02 1.60 -0.24 -1.70 2.01 0.54 -0.63 115.64 117.21 2joz s THR 48 Ca 0.03 -0.80 -0.10 0.00 0.31 0.00 0.00 61.69 61.12 2joz s THR 48 Cb -0.13 -1.38 -0.05 0.00 0.01 0.00 0.00 72.50 70.95 2joz s THR 48 CO 0.02 0.46 0.15 -1.61 -0.69 0.00 0.00 174.62 172.95 2joz s GLU 49 N 0.08 4.06 -0.45 4.92 2.02 0.30 -0.12 118.70 129.52 2joz s GLU 49 Ca -0.06 -0.27 -0.23 0.00 0.02 0.00 0.00 54.97 54.42 2joz s GLU 49 Cb -0.13 -3.52 0.03 0.00 0.10 0.00 0.00 34.13 30.60 2joz s GLU 49 CO 0.03 0.07 0.80 0.08 0.02 0.00 0.00 175.26 176.27 2joz s VAL 50 N 1.02 4.63 -0.19 2.63 1.01 0.49 -0.02 120.40 129.97 2joz s VAL 50 Ca 0.07 0.47 -0.01 0.00 0.00 0.00 0.00 61.98 62.51 2joz s VAL 50 Cb -0.13 -4.33 0.00 0.00 0.00 0.00 0.00 36.38 31.91 2joz s VAL 50 CO 0.04 -0.73 -0.11 -0.32 0.00 0.00 0.00 175.10 173.98 2joz s MET 51 N 3.35 3.24 -0.10 2.72 1.75 -0.23 -1.80 119.30 128.22 2joz s MET 51 Ca 0.31 -0.71 -0.29 0.00 -1.25 0.00 0.00 55.69 53.75 2joz s MET 51 Cb -0.12 -2.79 -0.06 0.00 2.84 0.00 0.00 34.83 34.70 2joz s MET 51 CO 0.23 -0.14 1.94 -2.00 -0.65 0.00 0.00 175.02 174.40 2joz s GLU 52 N 1.23 3.77 0.00 4.11 2.12 -1.26 -0.18 118.70 128.49 2joz s GLU 52 Ca 0.03 2.19 0.00 0.00 0.36 0.00 0.00 54.97 57.55 2joz s GLU 52 Cb -0.14 -4.18 0.00 0.00 0.26 0.00 0.00 34.13 30.07 2joz s GLU 52 CO -0.05 -1.36 0.00 0.41 -0.54 0.00 0.00 175.26 173.72 2joz n GLY 53 N 4.90 1.76 0.64 -1.50 0.00 -1.26 -4.85 105.19 104.87 2joz n GLY 53 Ca 0.22 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.20 0.23 0.00 1.61 1.74 -0.58 -5.15 116.66 114.31 2joz n ARG 54 Ca 0.00 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 2joz n ARG 54 Cb 0.00 -0.90 0.00 0.00 -1.02 0.00 0.00 32.46 30.54 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 2.59 0.58 3.70 -0.13 0.00 0.75 -4.98 105.19 107.70 2joz n GLY 55 Ca -0.08 -2.18 -0.42 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 -0.59 4.29 -0.17 1.61 8.01 -1.25 -1.07 118.70 129.53 2joz s GLU 56 Ca 0.00 2.03 0.00 0.00 0.01 0.00 0.00 54.97 57.02 2joz s GLU 56 Cb 0.00 -3.48 0.01 0.00 -4.31 0.00 0.00 34.13 26.35 2joz s GLU 56 CO 0.00 -0.55 -0.17 0.08 0.01 0.00 0.00 175.26 174.64 2joz s VAL 57 N 2.03 2.42 -0.03 2.63 1.01 0.97 -4.91 120.40 124.52 2joz s VAL 57 Ca 0.65 -0.83 -0.30 0.00 0.00 0.00 0.00 61.98 61.50 2joz s VAL 57 Cb -0.34 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 2joz s VAL 57 CO 0.28 0.52 0.99 -1.10 0.00 0.00 0.00 175.10 175.79 2joz s GLN 58 N 1.09 4.52 0.51 2.72 -0.21 -1.26 -0.54 119.66 126.49 2joz s GLN 58 Ca -0.00 1.41 -0.02 0.00 0.02 0.00 0.00 55.36 56.77 2joz s GLN 58 Cb -0.14 -3.48 0.00 0.00 1.00 0.00 0.00 33.01 30.39 2joz s GLN 58 CO -0.06 -0.13 0.77 -0.51 -2.12 0.00 0.00 175.29 173.24 2joz s LEU 59 N 1.30 3.45 0.19 2.90 1.43 0.20 -4.98 118.68 123.18 2joz s LEU 59 Ca 0.51 0.43 -0.33 0.00 -1.03 0.00 0.00 54.13 53.71 2joz s LEU 59 Cb -0.20 -3.29 -0.13 0.00 0.03 0.00 0.00 46.19 42.60 2joz s LEU 59 CO 0.25 -0.88 1.64 -0.81 0.23 0.00 0.00 176.35 176.77 2joz n PRO 60 N -2.30 2.45 -1.95 1.29 -0.04 -1.26 -4.51 135.00 128.68 2joz n PRO 60 Ca 0.03 0.88 -0.38 0.00 -0.04 0.00 0.00 63.50 64.00 2joz n PRO 60 Cb 0.58 -2.68 0.03 0.00 -0.04 0.00 0.00 33.50 31.38 2joz n PRO 60 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2joz s PHE 61 N 0.93 2.46 -0.17 0.54 -0.71 -1.26 -4.73 117.98 115.04 2joz s PHE 61 Ca 0.76 1.44 0.01 0.00 -1.04 0.00 0.00 56.93 58.10 2joz s PHE 61 Cb -0.59 -3.63 0.03 0.00 -1.21 0.00 0.00 43.02 37.61 2joz s PHE 61 CO 0.36 -2.42 -0.14 -1.64 -1.34 0.00 0.00 175.22 170.05 2joz s MET 62 N -2.92 2.29 0.06 1.99 -1.94 -0.43 -4.97 119.30 113.39 2joz s MET 62 Ca 0.71 -0.68 -0.21 0.00 -1.71 0.00 0.00 55.69 53.79 2joz s MET 62 Cb -0.36 -2.26 -0.06 0.00 2.01 0.00 0.00 34.83 34.16 2joz s MET 62 CO 0.42 -0.30 0.61 0.00 -0.01 0.00 0.00 175.02 175.74 2joz s ALA 63 N 1.43 3.53 0.25 3.03 0.00 -1.26 0.45 121.76 129.19 2joz s ALA 63 Ca 0.03 0.09 0.01 0.00 0.00 0.00 0.00 51.96 52.09 2joz s ALA 63 Cb -0.14 -2.72 -0.04 0.00 0.00 0.00 0.00 23.12 20.22 2joz s ALA 63 CO -0.10 0.30 0.14 1.52 0.00 0.00 0.00 175.76 177.62 2joz s TYR 64 N -0.81 1.40 0.11 0.00 1.13 0.11 -4.11 117.35 115.19 2joz s TYR 64 Ca 0.31 -1.35 0.05 0.00 -1.41 0.00 0.00 57.07 54.67 2joz s TYR 64 Cb -0.20 -0.72 -0.04 0.00 -1.10 0.00 0.00 41.96 39.90 2joz s TYR 64 CO 0.20 -0.56 -0.13 0.15 -2.51 0.00 0.00 175.55 172.70 2joz s LYS 65 N -3.99 0.98 -0.21 -3.49 1.02 -0.39 -4.66 119.74 109.00 2joz s LYS 65 Ca 0.38 -1.21 -0.16 0.00 0.02 0.00 0.00 55.97 55.00 2joz s LYS 65 Cb 0.06 -0.84 -0.04 0.00 -0.52 0.00 0.00 37.83 36.49 2joz s LYS 65 CO 0.15 0.16 0.41 0.08 -0.92 0.00 0.00 175.35 175.23 2joz s VAL 66 N -2.13 5.18 -0.18 3.17 1.01 -1.26 -0.88 120.40 125.31 2joz s VAL 66 Ca 0.08 0.72 -0.19 0.00 0.00 0.00 0.00 61.98 62.58 2joz s VAL 66 Cb -0.05 -3.74 -0.22 0.00 0.00 0.00 0.00 36.38 32.37 2joz s VAL 66 CO 0.02 0.22 0.33 0.40 0.00 0.00 0.00 175.10 176.08 2joz h ILE 67 N 5.10 0.96 -3.89 2.22 2.04 -0.57 -3.49 117.51 119.90 2joz h ILE 67 Ca -0.35 -2.25 -0.12 0.00 1.00 0.00 0.00 64.86 63.15 2joz h ILE 67 Cb 1.16 2.43 -0.17 0.00 -0.74 0.00 0.00 36.82 39.50 2joz h ILE 67 CO 0.71 0.47 -0.53 -0.44 0.00 0.00 0.00 178.15 178.37 2joz s SER 68 N -6.86 0.23 -0.00 1.72 0.01 -0.83 -4.98 113.70 102.99 2joz s SER 68 Ca -0.26 -0.64 -0.14 0.00 1.31 0.00 0.00 55.95 56.22 2joz s SER 68 Cb 0.05 0.24 0.02 0.00 0.21 0.00 0.00 66.02 66.54 2joz s SER 68 CO 0.65 -0.56 0.29 -1.58 0.41 0.00 0.00 173.24 172.45 2joz s GLN 69 N -3.06 0.68 0.01 12.44 0.74 -1.26 -0.01 119.66 129.19 2joz s GLN 69 Ca -0.01 -0.27 -0.00 0.00 0.05 0.00 0.00 55.36 55.12 2joz s GLN 69 Cb 0.02 0.30 -0.01 0.00 1.10 0.00 0.00 33.01 34.41 2joz s GLN 69 CO -0.07 -0.19 -0.00 0.45 -0.55 0.00 0.00 175.29 174.93 2joz s SER 70 N -1.47 0.11 0.36 6.67 0.15 -0.99 -4.94 113.70 113.58 2joz s SER 70 Ca -0.12 -0.23 0.18 0.00 0.70 0.00 0.00 55.95 56.48 2joz s SER 70 Cb -0.05 0.07 0.57 0.00 -1.71 0.00 0.00 66.02 64.90 2joz s SER 70 CO 0.03 -0.16 1.68 0.74 1.20 0.00 0.00 173.24 176.73 2joz h THR 71 N 4.87 0.89 -1.24 6.45 2.02 -1.99 -3.39 112.91 120.51 2joz h THR 71 Ca -0.28 -1.67 -0.33 0.00 0.77 0.00 0.00 66.41 64.90 2joz h THR 71 Cb 1.21 2.03 -0.24 0.00 -1.74 0.00 0.00 68.15 69.40 2joz h THR 71 CO 0.46 0.40 -0.70 -0.67 0.37 0.00 0.00 175.52 175.38 2joz n ASP 72 N -3.47 -2.11 0.00 4.18 2.03 -1.26 -4.95 116.55 110.97 2joz n ASP 72 Ca 0.00 -2.84 0.00 0.00 0.52 0.00 0.00 54.79 52.47 2joz n ASP 72 Cb 0.55 0.88 0.00 0.00 -0.72 0.00 0.00 41.12 41.84 2joz n ASP 72 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2joz n GLY 73 N 2.41 -1.67 3.27 0.27 0.00 -1.26 -5.15 105.19 103.05 2joz n GLY 73 Ca 0.19 0.70 -0.12 0.00 0.00 0.00 0.00 46.02 46.80 2joz n GLY 73 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2joz s SER 74 N 2.00 -0.17 -0.05 1.61 0.01 -1.26 -4.33 113.70 111.51 2joz s SER 74 Ca 0.00 -0.10 0.06 0.00 1.31 0.00 0.00 55.95 57.21 2joz s SER 74 Cb 0.00 0.37 -0.02 0.00 0.21 0.00 0.00 66.02 66.58 2joz s SER 74 CO 0.00 -0.60 -0.23 -0.63 0.41 0.00 0.00 173.24 172.19 2joz s ILE 75 N -2.36 2.31 -0.18 1.44 1.01 0.18 -2.36 121.20 121.24 2joz s ILE 75 Ca -0.06 -0.99 -0.00 0.00 0.00 0.00 0.00 60.65 59.59 2joz s ILE 75 Cb -0.01 -1.84 0.01 0.00 0.01 0.00 0.00 42.46 40.62 2joz s ILE 75 CO -0.02 0.58 -0.16 -0.70 0.00 0.00 0.00 174.94 174.64 2joz s GLU 76 N -0.41 3.13 0.14 2.79 2.12 0.98 -0.31 118.70 127.14 2joz s GLU 76 Ca 0.04 -0.77 0.06 0.00 0.36 0.00 0.00 54.97 54.66 2joz s GLU 76 Cb -0.12 -2.67 -0.04 0.00 0.26 0.00 0.00 34.13 31.57 2joz s GLU 76 CO 0.01 -0.14 -0.13 0.96 -0.54 0.00 0.00 175.26 175.43 2joz s ILE 77 N 1.18 1.32 -0.02 -3.70 -4.36 -0.59 0.23 121.20 115.26 2joz s ILE 77 Ca 0.02 -1.87 0.04 0.00 -0.26 0.00 0.00 60.65 58.58 2joz s ILE 77 Cb -0.14 -1.67 -0.01 0.00 1.25 0.00 0.00 42.46 41.90 2joz s ILE 77 CO -0.07 -0.53 -0.12 -1.58 0.24 0.00 0.00 174.94 172.87 2joz s GLN 78 N -3.08 1.10 0.00 0.37 0.74 -0.06 0.22 119.66 118.95 2joz s GLN 78 Ca 0.12 -0.43 0.32 0.00 0.05 0.00 0.00 55.36 55.42 2joz s GLN 78 Cb -0.02 -1.04 1.84 0.00 1.10 0.00 0.00 33.01 34.89 2joz s GLN 78 CO 0.03 0.23 2.20 0.66 -0.55 0.00 0.00 175.29 177.85 2joz n TYR 79 N 2.95 0.00 -2.67 1.67 4.02 -1.07 -1.27 117.16 120.78 2joz n TYR 79 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.74 2joz n TYR 79 Cb 0.55 -0.05 -0.00 0.00 -0.02 0.00 0.00 39.34 39.82 2joz n TYR 79 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2joz n LEU 80 N -1.04 0.00 0.00 7.72 4.77 -1.23 -4.40 117.00 122.82 2joz n LEU 80 Ca 0.22 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 2joz n LEU 80 Cb 0.13 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2joz n LEU 80 CO 0.19 -0.81 0.00 0.61 -1.33 0.00 0.00 177.39 176.05 2joz n GLY 81 N -0.01 0.73 0.04 -0.72 0.00 -1.26 -1.53 105.19 102.42 2joz n GLY 81 Ca 0.00 -0.73 0.03 0.00 0.00 0.00 0.00 46.02 45.32 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 0.03 -0.93 1.61 -0.02 -1.26 -1.34 135.00 133.09 2joz n PRO 82 Ca 0.00 0.53 -0.08 0.00 -2.02 0.00 0.00 63.50 61.93 2joz n PRO 82 Cb 0.00 -1.61 0.19 0.00 -0.02 0.00 0.00 33.50 32.06 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 -1.67 1.45 0.55 6.00 4.02 -0.58 -4.70 117.16 122.22 2joz n TYR 83 Ca -0.00 -1.71 0.13 0.00 -0.01 0.00 0.00 57.90 56.31 2joz n TYR 83 Cb 0.01 -0.57 0.35 0.00 -0.02 0.00 0.00 39.34 39.10 2joz n TYR 83 CO 0.00 0.00 0.00 0.10 -1.01 0.00 0.00 176.86 175.95 2joz h TYR 84 N 1.06 0.00 -0.01 -0.72 -0.00 -0.58 -1.63 116.97 115.09 2joz h TYR 84 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.02 2joz h TYR 84 Cb 1.79 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.52 2joz h TYR 84 CO 1.13 0.00 -0.23 -0.35 -0.00 0.00 0.00 178.16 178.71 2joz n PRO 85 N -2.40 1.12 -3.40 0.10 -0.04 -1.26 -4.68 135.00 124.44 2joz n PRO 85 Ca 0.05 -0.73 -0.41 0.00 -0.04 0.00 0.00 63.50 62.37 2joz n PRO 85 Cb 0.45 -1.48 -0.09 0.00 -0.04 0.00 0.00 33.50 32.33 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 -2.38 4.59 0.33 1.53 2.96 -0.61 -5.07 118.68 120.03 2joz s LEU 86 Ca 0.26 -0.39 0.08 0.00 -0.22 0.00 0.00 54.13 53.86 2joz s LEU 86 Cb 0.19 -2.32 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 2joz s LEU 86 CO 0.48 -0.39 0.13 -1.59 -1.32 0.00 0.00 176.35 173.66 2joz s LYS 87 N 2.00 2.38 0.09 1.98 -2.85 -1.26 -2.61 119.74 119.47 2joz s LYS 87 Ca 0.11 -1.52 0.03 0.00 -1.00 0.00 0.00 55.97 53.59 2joz s LYS 87 Cb -0.17 -2.18 -0.04 0.00 -2.06 0.00 0.00 37.83 33.38 2joz s LYS 87 CO 0.12 0.15 -0.09 0.45 0.10 0.00 0.00 175.35 176.07 2joz s SER 88 N -3.83 1.31 -0.04 0.03 0.15 0.13 -4.55 113.70 106.90 2joz s SER 88 Ca 0.37 -0.82 0.03 0.00 0.70 0.00 0.00 55.95 56.23 2joz s SER 88 Cb -0.03 0.03 -0.03 0.00 -1.71 0.00 0.00 66.02 64.28 2joz s SER 88 CO 0.22 -0.30 -0.11 -0.89 1.20 0.00 0.00 173.24 173.36 2joz s THR 89 N -2.56 3.31 -0.12 6.45 2.01 0.88 -1.54 115.64 124.08 2joz s THR 89 Ca 0.05 -0.68 0.02 0.00 0.31 0.00 0.00 61.69 61.38 2joz s THR 89 Cb -0.02 -2.34 0.02 0.00 0.01 0.00 0.00 72.50 70.17 2joz s THR 89 CO -0.01 0.56 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.56 2joz s LEU 90 N -0.88 1.77 0.07 4.42 1.43 0.58 -0.46 118.68 125.61 2joz s LEU 90 Ca 0.13 -0.46 0.02 0.00 -1.03 0.00 0.00 54.13 52.79 2joz s LEU 90 Cb -0.11 -1.15 -0.03 0.00 0.03 0.00 0.00 46.19 44.93 2joz s LEU 90 CO 0.02 0.01 -0.08 -0.54 0.23 0.00 0.00 176.35 176.00 2joz s LYS 91 N 1.03 0.71 0.51 1.70 1.02 0.74 0.51 119.74 125.97 2joz s LYS 91 Ca -0.05 -1.07 -0.06 0.00 0.02 0.00 0.00 55.97 54.81 2joz s LYS 91 Cb -0.15 -0.28 -0.03 0.00 -0.52 0.00 0.00 37.83 36.85 2joz s LYS 91 CO -0.03 0.02 0.82 -0.98 -0.92 0.00 0.00 175.35 174.27 2joz s ARG 92 N -2.75 3.40 0.53 1.68 1.70 -1.26 0.66 118.95 122.91 2joz s ARG 92 Ca 0.02 0.18 0.01 0.00 -0.47 0.00 0.00 55.73 55.47 2joz s ARG 92 Cb -0.02 -2.34 0.10 0.00 -0.57 0.00 0.00 34.95 32.12 2joz s ARG 92 CO -0.02 -0.33 0.73 0.41 -1.08 0.00 0.00 175.30 175.01 2joz n GLY 93 N -2.36 0.93 0.01 3.88 0.00 0.68 -4.48 105.19 103.85 2joz n GLY 93 Ca 0.02 -2.05 0.12 0.00 0.00 0.00 0.00 46.02 44.10 2joz n GLY 93 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2joz n GLU 94 N -2.32 0.06 -3.25 1.61 -0.58 -1.26 -4.71 120.64 110.18 2joz n GLU 94 Ca 0.13 0.01 -0.05 0.00 -0.42 0.00 0.00 57.16 56.83 2joz n GLU 94 Cb 0.45 -1.53 -0.03 0.00 -0.57 0.00 0.00 31.44 29.76 2joz n GLU 94 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2joz s ASN 95 N -3.22 -0.55 -1.58 1.62 2.20 -1.26 -4.98 114.94 107.17 2joz s ASN 95 Ca 0.10 -0.77 -0.14 0.00 -0.94 0.00 0.00 52.86 51.10 2joz s ASN 95 Cb 0.17 1.48 0.11 0.00 -2.00 0.00 0.00 41.25 41.00 2joz s ASN 95 CO 0.72 -0.24 0.88 0.61 -2.94 0.00 0.00 177.10 176.13 2joz n GLY 96 N 4.68 -0.46 3.13 0.45 0.00 -1.26 -4.93 105.19 106.79 2joz n GLY 96 Ca 0.08 0.17 -0.09 0.00 0.00 0.00 0.00 46.02 46.18 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 -3.34 0.45 -0.05 2.61 -4.23 -1.26 -4.55 115.64 105.28 2joz s THR 97 Ca 0.64 -1.86 0.05 0.00 -1.18 0.00 0.00 61.69 59.34 2joz s THR 97 Cb -0.33 -1.59 -0.01 0.00 1.34 0.00 0.00 72.50 71.91 2joz s THR 97 CO 0.87 -0.93 -0.20 -0.22 -0.54 0.00 0.00 174.62 173.60 2joz s LEU 98 N -2.96 1.97 -0.38 4.79 2.96 -1.19 -0.23 118.68 123.64 2joz s LEU 98 Ca 0.09 -0.41 -0.11 0.00 -0.22 0.00 0.00 54.13 53.48 2joz s LEU 98 Cb 0.06 -1.11 0.03 0.00 0.50 0.00 0.00 46.19 45.67 2joz s LEU 98 CO -0.07 0.18 0.22 -0.63 -1.32 0.00 0.00 176.35 174.73 2joz s ILE 99 N -0.02 4.67 -0.31 6.68 -1.09 0.21 -2.46 121.20 128.88 2joz s ILE 99 Ca -0.04 -0.82 -0.07 0.00 -2.23 0.00 0.00 60.65 57.49 2joz s ILE 99 Cb -0.12 -3.60 0.02 0.00 -1.58 0.00 0.00 42.46 37.17 2joz s ILE 99 CO 0.03 -0.24 0.09 0.86 -1.23 0.00 0.00 174.94 174.45 2joz s TRP 100 N 1.57 3.17 -0.17 3.97 -0.00 0.55 -0.19 118.94 127.84 2joz s TRP 100 Ca 0.02 -1.06 -0.06 0.00 -0.00 0.00 0.00 56.10 55.00 2joz s TRP 100 Cb -0.19 -2.26 -0.03 0.00 -0.00 0.00 0.00 33.47 30.98 2joz s TRP 100 CO 0.07 -0.61 0.02 -1.21 -0.00 0.00 0.00 176.95 175.22 2joz s GLU 101 N 1.48 3.82 -0.19 5.86 2.02 0.39 0.03 118.70 132.11 2joz s GLU 101 Ca 0.02 -0.43 -0.13 0.00 0.02 0.00 0.00 54.97 54.45 2joz s GLU 101 Cb -0.18 -3.09 0.06 0.00 0.10 0.00 0.00 34.13 31.02 2joz s GLU 101 CO 0.03 0.23 0.47 -1.14 0.02 0.00 0.00 175.26 174.87 2joz s GLN 102 N 0.44 0.50 -1.77 1.61 0.74 0.05 -0.08 119.66 121.15 2joz s GLN 102 Ca 0.00 0.80 0.00 0.00 0.05 0.00 0.00 55.36 56.21 2joz s GLN 102 Cb -0.13 0.12 0.00 0.00 1.10 0.00 0.00 33.01 34.09 2joz s GLN 102 CO 0.02 -0.12 0.00 0.09 -0.55 0.00 0.00 175.29 174.73 2joz n ASN 103 N 3.68 -5.46 0.00 6.67 3.02 -1.26 -0.53 115.26 121.38 2joz n ASN 103 Ca -0.19 0.41 0.00 0.00 -0.03 0.00 0.00 54.58 54.77 2joz n ASN 103 Cb 0.56 -4.51 0.00 0.00 -0.61 0.00 0.00 39.78 35.22 2joz n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2joz n GLY 104 N -0.13 1.07 3.78 7.41 0.00 -1.26 -5.06 105.19 111.00 2joz n GLY 104 Ca -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.00 4.14 -0.33 1.61 -0.21 0.31 -5.06 119.66 119.12 2joz s GLN 105 Ca 0.00 0.41 -0.12 0.00 0.02 0.00 0.00 55.36 55.67 2joz s GLN 105 Cb 0.00 -3.33 -0.02 0.00 1.00 0.00 0.00 33.01 30.66 2joz s GLN 105 CO 0.00 0.43 0.21 0.50 -2.12 0.00 0.00 175.29 174.31 2joz s ARG 106 N -0.24 3.48 -0.05 2.91 3.00 -1.26 -0.77 118.95 126.01 2joz s ARG 106 Ca 0.24 -0.65 0.02 0.00 -1.00 0.00 0.00 55.73 54.34 2joz s ARG 106 Cb -0.16 -3.72 -0.03 0.00 0.00 0.00 0.00 34.95 31.05 2joz s ARG 106 CO 0.11 -0.42 -0.08 0.21 0.00 0.00 0.00 175.30 175.13 2joz s LYS 107 N 1.69 2.66 -0.22 5.12 2.20 0.10 -4.96 119.74 126.32 2joz s LYS 107 Ca 0.06 -0.61 0.01 0.00 -0.36 0.00 0.00 55.97 55.07 2joz s LYS 107 Cb -0.17 -2.53 0.04 0.00 -1.51 0.00 0.00 37.83 33.65 2joz s LYS 107 CO 0.09 0.64 -0.14 0.99 -0.36 0.00 0.00 175.35 176.58 2joz s THR 108 N -0.84 2.26 0.35 3.43 2.01 -1.26 -0.33 115.64 121.25 2joz s THR 108 Ca 0.13 -1.22 0.09 0.00 0.31 0.00 0.00 61.69 61.00 2joz s THR 108 Cb -0.11 -2.13 -0.05 0.00 0.01 0.00 0.00 72.50 70.22 2joz s THR 108 CO 0.03 0.26 0.06 0.00 -0.69 0.00 0.00 174.62 174.27 2joz s MET 109 N 1.23 2.16 0.30 4.92 0.23 -1.03 -4.75 119.30 122.36 2joz s MET 109 Ca -0.01 -1.71 0.06 0.00 -1.03 0.00 0.00 55.69 53.00 2joz s MET 109 Cb -0.16 -1.99 -0.02 0.00 -1.53 0.00 0.00 34.83 31.12 2joz s MET 109 CO -0.08 0.11 0.36 0.99 -2.03 0.00 0.00 175.02 174.37 2joz s THR 110 N -2.50 4.32 -0.13 3.16 2.01 -0.21 -3.14 115.64 119.15 2joz s THR 110 Ca 0.36 -1.14 -0.04 0.00 0.31 0.00 0.00 61.69 61.18 2joz s THR 110 Cb -0.00 -3.48 -0.03 0.00 0.01 0.00 0.00 72.50 69.00 2joz s THR 110 CO 0.20 -0.23 0.01 -0.60 -0.69 0.00 0.00 174.62 173.31 2joz s ARG 111 N -4.04 3.43 0.51 4.92 3.52 -1.26 0.73 118.95 126.76 2joz s ARG 111 Ca 0.39 -0.41 -0.13 0.00 -0.13 0.00 0.00 55.73 55.45 2joz s ARG 111 Cb -0.08 -2.95 -0.07 0.00 -1.56 0.00 0.00 34.95 30.29 2joz s ARG 111 CO 0.29 0.48 0.93 0.42 -0.81 0.00 0.00 175.30 176.61 2joz s ILE 112 N -0.25 4.65 -1.13 4.11 -1.09 -0.36 -4.83 121.20 122.29 2joz s ILE 112 Ca 0.06 0.95 -0.22 0.00 -2.23 0.00 0.00 60.65 59.22 2joz s ILE 112 Cb -0.12 -3.76 0.01 0.00 -1.58 0.00 0.00 42.46 37.00 2joz s ILE 112 CO 0.02 -0.75 1.75 -1.61 -1.23 0.00 0.00 174.94 173.12 2joz s GLU 113 N -4.28 3.28 -0.92 2.79 2.02 -1.26 -4.70 118.70 115.62 2joz s GLU 113 Ca 0.56 -1.27 -0.24 0.00 0.02 0.00 0.00 54.97 54.04 2joz s GLU 113 Cb -0.10 -5.34 0.03 0.00 0.10 0.00 0.00 34.13 28.82 2joz s GLU 113 CO 0.37 -2.85 1.46 -1.12 0.02 0.00 0.00 175.26 173.13 2joz s SER 114 N 5.64 6.26 0.00 -0.19 0.01 -1.26 -4.75 113.70 119.41 2joz s SER 114 Ca 0.58 -1.07 0.21 0.00 1.31 0.00 0.00 55.95 56.99 2joz s SER 114 Cb -0.00 -2.57 0.48 0.00 0.21 0.00 0.00 66.02 64.15 2joz s SER 114 CO 0.03 -1.72 1.42 2.29 0.41 0.00 0.00 173.24 175.66 2joz n LYS 115 N 9.02 2.56 0.00 12.44 2.85 -1.26 -4.24 118.16 139.53 2joz n LYS 115 Ca 0.25 -2.37 0.14 0.00 -1.05 0.00 0.00 58.31 55.28 2joz n LYS 115 Cb 0.50 -1.50 0.59 0.00 -0.65 0.00 0.00 35.03 33.98 2joz n LYS 115 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2joz n THR 116 N 1.43 0.08 -4.70 0.58 -2.24 -1.26 -5.00 114.28 103.17 2joz n THR 116 Ca 0.20 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.99 2joz n THR 116 Cb 0.58 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 2joz n THR 116 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2joz n GLY 117 N 1.39 0.95 2.74 3.38 0.00 -1.26 -4.73 105.19 107.66 2joz n GLY 117 Ca 0.07 -0.71 -0.19 0.00 0.00 0.00 0.00 46.02 45.18 2joz n GLY 117 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2joz s ARG 118 N 0.00 0.02 0.01 1.61 3.00 -1.26 -5.09 118.95 117.24 2joz s ARG 118 Ca 0.00 0.36 -0.22 0.00 -1.00 0.00 0.00 55.73 54.87 2joz s ARG 118 Cb 0.00 -0.72 -0.05 0.00 0.00 0.00 0.00 34.95 34.17 2joz s ARG 118 CO 0.00 -0.42 0.65 -1.21 0.00 0.00 0.00 175.30 174.32 2joz s GLU 119 N 2.24 4.38 -0.02 5.12 8.01 -1.26 -5.01 118.70 132.16 2joz s GLU 119 Ca 0.04 0.84 -0.01 0.00 0.01 0.00 0.00 54.97 55.85 2joz s GLU 119 Cb -0.13 -3.35 -0.00 0.00 -4.31 0.00 0.00 34.13 26.33 2joz s GLU 119 CO -0.06 0.33 0.10 0.93 0.01 0.00 0.00 175.26 176.56 2joz h GLU 120 N 5.71 -0.02 -0.82 1.61 3.07 -2.02 -3.47 114.58 118.63 2joz h GLU 120 Ca -0.45 0.00 -0.32 0.00 -0.50 0.00 0.00 59.36 58.09 2joz h GLU 120 Cb 1.20 0.01 -0.13 0.00 -0.84 0.00 0.00 28.75 28.99 2joz h GLU 120 CO 0.70 -0.02 -0.29 1.63 -1.40 0.00 0.00 179.01 179.64 2joz n LYS 121 N -2.59 -1.56 -4.00 2.33 5.02 -1.26 -4.90 118.16 111.21 2joz n LYS 121 Ca -0.00 1.03 -0.10 0.00 -2.02 0.00 0.00 58.31 57.21 2joz n LYS 121 Cb 0.01 -5.41 -0.04 0.00 -0.02 0.00 0.00 35.03 29.57 2joz n LYS 121 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2joz s ASP 122 N -2.53 0.15 0.57 4.39 2.15 -1.26 -5.19 116.67 114.96 2joz s ASP 122 Ca 0.00 -1.08 0.07 0.00 0.43 0.00 0.00 52.55 51.97 2joz s ASP 122 Cb 0.00 0.64 0.07 0.00 -0.30 0.00 0.00 42.92 43.32 2joz s ASP 122 CO 0.00 -1.24 0.58 -1.61 -0.17 0.00 0.00 175.17 172.73 2joz s GLU 123 N -3.60 2.25 0.00 4.34 8.01 -1.26 -5.15 118.70 123.29 2joz s GLU 123 Ca 0.23 -1.90 0.00 0.00 0.01 0.00 0.00 54.97 53.32 2joz s GLU 123 Cb -0.01 -2.32 0.00 0.00 -4.31 0.00 0.00 34.13 27.49 2joz s GLU 123 CO 0.12 -0.76 0.00 1.63 0.01 0.00 0.00 175.26 176.25 2joz n LYS 124 N -2.00 0.59 -3.37 1.61 5.02 -1.26 -4.95 118.16 113.81 2joz n LYS 124 Ca 0.06 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.13 2joz n LYS 124 Cb 0.63 0.00 0.06 0.00 -0.02 0.00 0.00 35.03 35.71 2joz n LYS 124 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2joz n SER 125 N -1.45 -6.02 -4.51 4.39 7.64 -1.26 -4.91 113.62 107.50 2joz n SER 125 Ca 0.00 -0.44 -0.42 0.00 1.01 0.00 0.00 58.87 59.02 2joz n SER 125 Cb 0.00 -4.69 -0.03 0.00 -1.01 0.00 0.00 64.21 58.48 2joz n SER 125 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2joz s LYS 126 N -6.06 3.58 -0.07 1.43 2.20 -1.26 -4.93 119.74 114.62 2joz s LYS 126 Ca 0.48 -1.38 -0.03 0.00 -0.36 0.00 0.00 55.97 54.67 2joz s LYS 126 Cb -0.21 -5.12 0.04 0.00 -1.51 0.00 0.00 37.83 31.03 2joz s LYS 126 CO 0.59 -2.01 0.15 -1.54 -0.36 0.00 0.00 175.35 172.19 2joz s SER 127 N 4.34 -0.13 0.00 1.43 1.04 -1.26 -5.15 113.70 113.96 2joz s SER 127 Ca 0.39 0.32 -0.01 0.00 0.48 0.00 0.00 55.95 57.14 2joz s SER 127 Cb -0.03 0.22 -0.00 0.00 0.10 0.00 0.00 66.02 66.31 2joz s SER 127 CO -0.09 -0.14 0.01 -0.22 0.98 0.00 0.00 173.24 173.78 2joz s LEU 128 N 1.04 2.01 0.07 2.42 2.96 -1.26 -5.16 118.68 120.76 2joz s LEU 128 Ca -0.08 -0.10 0.09 0.00 -0.22 0.00 0.00 54.13 53.81 2joz s LEU 128 Cb -0.10 0.08 -0.03 0.00 0.50 0.00 0.00 46.19 46.63 2joz s LEU 128 CO -0.05 -0.09 -0.22 -1.61 -1.32 0.00 0.00 176.35 173.06 2joz s GLU 129 N -0.38 1.84 -0.40 1.98 2.02 -1.26 -5.06 118.70 117.43 2joz s GLU 129 Ca -0.04 -1.11 0.07 0.00 0.02 0.00 0.00 54.97 53.90 2joz s GLU 129 Cb -0.03 -2.07 0.22 0.00 0.10 0.00 0.00 34.13 32.36 2joz s GLU 129 CO -0.00 0.51 0.48 0.72 0.02 0.00 0.00 175.26 176.99 2joz n HIS 130 N 1.38 -0.74 -3.84 1.61 8.25 -1.26 -5.12 115.22 115.50 2joz n HIS 130 Ca -0.17 -3.36 -0.10 0.00 -0.26 0.00 0.00 57.72 53.83 2joz n HIS 130 Cb 0.52 -0.05 -0.08 0.00 1.12 0.00 0.00 29.99 31.51 2joz n HIS 130 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2joz s HIS 131 N -0.69 0.06 0.00 4.41 -3.43 -1.26 -5.03 115.29 109.36 2joz s HIS 131 Ca 0.34 -0.34 0.00 0.00 -0.80 0.00 0.00 55.06 54.26 2joz s HIS 131 Cb 0.13 -0.02 0.00 0.00 -1.43 0.00 0.00 32.58 31.26 2joz s HIS 131 CO -0.14 -0.47 0.00 -2.39 -2.00 0.00 0.00 174.74 169.74 2joz n HIS 132 N 0.45 0.00 0.00 0.38 1.44 -1.26 -5.08 115.22 111.16 2joz n HIS 132 Ca -0.18 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.53 2joz n HIS 132 Cb 0.60 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.71 2joz n HIS 132 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2joz n HIS 133 N 0.00 0.00 0.02 -1.40 -0.00 -1.26 -3.90 115.22 108.68 2joz n HIS 133 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2joz n HIS 133 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 2joz n HIS 133 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2joz n HIS 134 N 0.00 -1.68 -1.86 1.57 8.25 -1.26 -5.34 115.22 114.90 2joz n HIS 134 Ca 0.00 0.12 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 2joz n HIS 134 Cb 0.00 0.56 0.00 0.00 1.12 0.00 0.00 29.99 31.67 2joz n HIS 134 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59