#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 5.23 -0.06 3.17 -5.25 -1.26 -5.10 121.20 117.93 2joz s ILE 2 Ca 0.00 -0.40 0.02 0.00 -0.99 0.00 0.00 60.65 59.28 2joz s ILE 2 Cb 0.00 -3.72 0.02 0.00 2.95 0.00 0.00 42.46 41.70 2joz s ILE 2 CO 0.00 -0.13 -0.10 -0.32 -1.79 0.00 0.00 174.94 172.60 2joz s MET 3 N -3.24 1.41 -0.06 0.37 1.75 -1.26 -5.13 119.30 113.15 2joz s MET 3 Ca 0.38 -0.31 0.01 0.00 -1.25 0.00 0.00 55.69 54.52 2joz s MET 3 Cb -0.11 -1.23 0.02 0.00 2.84 0.00 0.00 34.83 36.35 2joz s MET 3 CO 0.29 -0.02 -0.07 0.54 -0.65 0.00 0.00 175.02 175.11 2joz s VAL 4 N 0.78 0.77 -0.10 10.11 0.11 -1.26 -5.12 120.40 125.69 2joz s VAL 4 Ca -0.13 -0.24 -0.03 0.00 -2.93 0.00 0.00 61.98 58.64 2joz s VAL 4 Cb -0.15 -0.76 0.05 0.00 -1.53 0.00 0.00 36.38 33.99 2joz s VAL 4 CO 0.02 0.28 0.16 -0.55 -3.33 0.00 0.00 175.10 171.69 2joz s SER 5 N 0.94 0.84 -0.18 3.54 0.15 -1.26 -5.13 113.70 112.61 2joz s SER 5 Ca -0.10 0.27 -0.05 0.00 0.70 0.00 0.00 55.95 56.77 2joz s SER 5 Cb -0.15 0.27 0.09 0.00 -1.71 0.00 0.00 66.02 64.52 2joz s SER 5 CO 0.00 -0.25 0.31 -0.83 1.20 0.00 0.00 173.24 173.67 2joz s GLY 6 N 2.29 -0.21 0.59 9.45 0.00 -1.26 -5.15 107.32 113.03 2joz s GLY 6 Ca 0.03 0.95 -0.18 0.00 0.00 0.00 0.00 44.72 45.52 2joz s GLY 6 CO -0.06 2.24 1.12 0.00 0.00 0.00 0.00 173.10 176.39 2joz s GLN 8 N -3.61 3.35 -0.82 0.00 -0.21 -1.26 -4.96 119.66 112.14 2joz s GLN 8 Ca 0.70 -0.11 -0.26 0.00 0.02 0.00 0.00 55.36 55.72 2joz s GLN 8 Cb -0.22 -4.09 0.02 0.00 1.00 0.00 0.00 33.01 29.72 2joz s GLN 8 CO 0.33 -1.76 1.49 -1.14 -2.12 0.00 0.00 175.29 172.09 2joz s GLN 9 N 4.80 3.15 -0.06 2.91 2.00 -1.26 -4.97 119.66 126.22 2joz s GLN 9 Ca 0.36 -0.36 -0.30 0.00 -2.00 0.00 0.00 55.36 53.06 2joz s GLN 9 Cb -0.10 -4.65 -0.02 0.00 0.80 0.00 0.00 33.01 29.04 2joz s GLN 9 CO 0.20 -2.39 0.99 -1.14 -0.50 0.00 0.00 175.29 172.44 2joz s GLN 10 N 5.87 4.48 -0.40 1.67 0.74 -1.26 -5.00 119.66 125.76 2joz s GLN 10 Ca 0.47 1.39 -0.25 0.00 0.05 0.00 0.00 55.36 57.02 2joz s GLN 10 Cb -0.06 -3.51 0.02 0.00 1.10 0.00 0.00 33.01 30.56 2joz s GLN 10 CO 0.07 -0.20 0.88 -1.59 -0.55 0.00 0.00 175.29 173.90 2joz s LYS 11 N 1.57 3.70 0.00 1.67 -2.85 -1.26 -5.02 119.74 117.55 2joz s LYS 11 Ca 0.50 0.35 0.00 0.00 -1.00 0.00 0.00 55.97 55.81 2joz s LYS 11 Cb -0.19 -3.85 0.00 0.00 -2.06 0.00 0.00 37.83 31.73 2joz s LYS 11 CO 0.22 -1.01 0.00 -1.91 0.10 0.00 0.00 175.35 172.75 2joz n GLU 12 N 6.79 3.10 0.00 1.78 0.00 -1.26 -5.15 120.64 125.90 2joz n GLU 12 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.21 2joz n GLU 12 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.92 2joz n GLU 12 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2joz n GLU 13 N 0.00 0.00 -1.02 5.31 2.13 -1.26 -5.13 120.64 120.67 2joz n GLU 13 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2joz n GLU 13 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 2joz n GLU 13 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 2joz n THR 14 N 0.00 -5.50 -1.74 6.31 -1.04 -1.26 -4.83 114.28 106.23 2joz n THR 14 Ca 0.00 1.31 -0.39 0.00 -2.04 0.00 0.00 64.05 62.93 2joz n THR 14 Cb 0.00 -2.97 -0.03 0.00 -1.82 0.00 0.00 70.33 65.51 2joz n THR 14 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 2joz s PRO 15 N -2.44 2.66 0.29 -2.82 0.02 -1.26 -4.84 135.00 126.62 2joz s PRO 15 Ca 0.00 1.40 0.24 0.00 0.02 0.00 0.00 61.00 62.67 2joz s PRO 15 Cb 0.00 -4.43 1.05 0.00 0.02 0.00 0.00 34.50 31.14 2joz s PRO 15 CO 0.00 -2.64 1.74 0.27 -0.33 0.00 0.00 177.00 176.03 2joz h PHE 16 N 16.42 0.00 -0.47 6.54 -0.00 -1.98 -2.76 116.94 134.69 2joz h PHE 16 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.67 2joz h PHE 16 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.17 2joz h PHE 16 CO 0.97 0.00 0.00 2.48 -0.00 0.00 0.00 178.31 181.76 2joz n TYR 17 N -2.32 0.62 -3.63 6.09 4.11 -1.26 -4.92 117.16 115.85 2joz n TYR 17 Ca 0.02 -0.34 -0.37 0.00 -0.00 0.00 0.00 57.90 57.21 2joz n TYR 17 Cb 0.21 -0.00 -0.09 0.00 -0.00 0.00 0.00 39.34 39.46 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 -1.26 3.34 -5.00 -3.48 5.04 -1.04 -4.72 117.35 110.23 2joz s TYR 18 Ca 0.39 0.31 0.00 0.00 -2.44 0.00 0.00 57.07 55.33 2joz s TYR 18 Cb 0.22 -2.29 0.00 0.00 0.35 0.00 0.00 41.96 40.23 2joz s TYR 18 CO 0.30 0.09 0.00 0.41 -1.34 0.00 0.00 175.55 175.01 2joz n GLY 19 N 4.09 0.97 3.70 8.97 0.00 -1.26 -5.04 105.19 116.61 2joz n GLY 19 Ca -0.14 -1.90 -0.35 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 -2.11 5.08 -0.06 2.61 2.01 -1.26 -3.19 115.64 118.71 2joz s THR 20 Ca 0.00 0.07 0.04 0.00 0.31 0.00 0.00 61.69 62.11 2joz s THR 20 Cb 0.00 -3.28 -0.02 0.00 0.01 0.00 0.00 72.50 69.21 2joz s THR 20 CO 0.00 0.48 -0.18 0.26 -0.69 0.00 0.00 174.62 174.49 2joz s TRP 21 N 0.16 2.62 -0.22 4.92 0.52 0.15 0.29 118.94 127.38 2joz s TRP 21 Ca 0.07 -0.40 -0.11 0.00 0.02 0.00 0.00 56.10 55.68 2joz s TRP 21 Cb -0.12 -1.65 -0.05 0.00 -1.15 0.00 0.00 33.47 30.51 2joz s TRP 21 CO -0.00 -0.00 0.16 0.34 0.02 0.00 0.00 176.95 177.46 2joz s ASP 22 N -0.40 6.17 -1.08 2.95 2.15 -1.01 -0.53 116.67 124.92 2joz s ASP 22 Ca 0.04 0.17 -0.07 0.00 0.43 0.00 0.00 52.55 53.12 2joz s ASP 22 Cb -0.12 -2.10 0.28 0.00 -0.30 0.00 0.00 42.92 40.67 2joz s ASP 22 CO 0.02 0.11 1.14 -0.62 -0.17 0.00 0.00 175.17 175.65 2joz n GLU 23 N 3.99 3.59 0.00 4.34 1.02 0.12 -3.94 120.64 129.76 2joz n GLU 23 Ca -0.15 -4.48 0.09 0.00 -0.02 0.00 0.00 57.16 52.59 2joz n GLU 23 Cb 0.52 -2.52 0.52 0.00 -0.02 0.00 0.00 31.44 29.94 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 2.35 -0.58 3.48 0.62 0.00 -1.26 -3.05 105.19 106.75 2joz n GLY 24 Ca 0.24 -0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.05 2.23 0.22 1.61 6.06 -1.26 -4.97 118.95 120.80 2joz s ARG 25 Ca 0.26 -0.89 0.00 0.00 -2.50 0.00 0.00 55.73 52.60 2joz s ARG 25 Cb 0.12 -2.27 0.00 0.00 0.06 0.00 0.00 34.95 32.86 2joz s ARG 25 CO 0.21 0.56 0.00 0.00 -2.50 0.00 0.00 175.30 173.57 2joz n ALA 26 N 1.68 -1.25 -1.93 6.12 0.00 -1.26 -4.86 120.51 119.01 2joz n ALA 26 Ca -0.16 0.18 -0.27 0.00 0.00 0.00 0.00 53.44 53.20 2joz n ALA 26 Cb 0.52 -0.87 0.09 0.00 0.00 0.00 0.00 19.45 19.20 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 -4.72 1.89 0.00 0.00 0.04 -1.25 -4.30 135.00 126.66 2joz s PRO 27 Ca 0.00 -0.31 0.00 0.00 0.04 0.00 0.00 61.00 60.73 2joz s PRO 27 Cb 0.00 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.43 2joz s PRO 27 CO 0.00 -1.48 0.00 0.41 0.04 0.00 0.00 177.00 175.97 2joz n GLY 28 N -3.09 2.57 3.05 0.56 0.00 0.01 -4.84 105.19 103.45 2joz n GLY 28 Ca 0.10 -1.97 -0.40 0.00 0.00 0.00 0.00 46.02 43.76 2joz n GLY 28 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2joz n PRO 29 N 0.00 0.00 0.00 1.61 -0.02 -1.26 -4.57 135.00 130.76 2joz n PRO 29 Ca 0.00 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.53 2joz n PRO 29 Cb 0.00 -0.92 0.27 0.00 -0.02 0.00 0.00 33.50 32.84 2joz n PRO 29 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 2joz n THR 30 N -0.76 0.73 -0.10 3.45 5.66 -1.26 -1.86 114.28 120.13 2joz n THR 30 Ca 0.11 0.18 -0.01 0.00 -3.05 0.00 0.00 64.05 61.29 2joz n THR 30 Cb 0.34 -1.00 0.25 0.00 -1.55 0.00 0.00 70.33 68.37 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 0.00 0.68 0.00 1.09 3.58 -2.05 -3.45 116.42 116.27 2joz h ASP 31 Ca 0.00 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.36 2joz h ASP 31 Cb 0.10 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 40.98 2joz h ASP 31 CO 0.00 0.64 0.00 0.61 -2.88 0.00 0.00 179.24 177.61 2joz n GLY 32 N -1.03 0.02 3.77 -0.78 0.00 -0.78 -5.15 105.19 101.24 2joz n GLY 32 Ca 0.04 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 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 5.29 0.04 1.61 1.01 -1.09 -4.52 120.40 122.75 2joz s VAL 33 Ca 0.00 0.14 -0.15 0.00 0.00 0.00 0.00 61.98 61.97 2joz s VAL 33 Cb 0.00 -3.36 -0.33 0.00 0.00 0.00 0.00 36.38 32.70 2joz s VAL 33 CO 0.00 0.52 1.05 0.11 0.00 0.00 0.00 175.10 176.79 2joz h LYS 34 N 5.94 0.57 -3.02 2.72 1.57 -1.75 0.07 116.57 122.68 2joz h LYS 34 Ca -0.46 -0.87 0.03 0.00 -1.87 0.00 0.00 60.65 57.48 2joz h LYS 34 Cb 1.19 0.31 -0.08 0.00 0.08 0.00 0.00 32.23 33.73 2joz h LYS 34 CO 0.67 1.41 0.21 -1.12 -0.57 0.00 0.00 179.45 180.05 2joz s SER 35 N -7.50 -0.37 0.15 0.86 0.01 -1.24 -3.86 113.70 101.74 2joz s SER 35 Ca -0.09 -0.39 0.10 0.00 1.31 0.00 0.00 55.95 56.88 2joz s SER 35 Cb 0.05 0.68 -0.04 0.00 0.21 0.00 0.00 66.02 66.91 2joz s SER 35 CO 0.94 -1.20 -0.23 0.00 0.41 0.00 0.00 173.24 173.16 2joz s ALA 36 N -3.86 2.19 -0.07 1.44 0.00 -1.17 -1.73 121.76 118.56 2joz s ALA 36 Ca 0.07 -1.46 0.01 0.00 0.00 0.00 0.00 51.96 50.58 2joz s ALA 36 Cb -0.04 -0.29 0.02 0.00 0.00 0.00 0.00 23.12 22.81 2joz s ALA 36 CO -0.01 0.39 -0.07 0.95 0.00 0.00 0.00 175.76 177.03 2joz s THR 37 N -1.48 0.79 -0.07 0.00 -4.23 0.16 0.10 115.64 110.93 2joz s THR 37 Ca 0.14 -0.24 0.04 0.00 -1.18 0.00 0.00 61.69 60.45 2joz s THR 37 Cb -0.08 -0.79 -0.02 0.00 1.34 0.00 0.00 72.50 72.94 2joz s THR 37 CO 0.07 0.29 -0.17 0.54 -0.54 0.00 0.00 174.62 174.81 2joz s VAL 38 N 1.09 2.76 -0.13 2.29 0.11 0.32 -0.43 120.40 126.40 2joz s VAL 38 Ca -0.08 -0.82 0.02 0.00 -2.93 0.00 0.00 61.98 58.18 2joz s VAL 38 Cb -0.14 -2.07 0.01 0.00 -1.53 0.00 0.00 36.38 32.64 2joz s VAL 38 CO -0.01 0.57 -0.20 -0.89 -3.33 0.00 0.00 175.10 171.24 2joz s THR 39 N -0.37 1.87 -0.32 5.04 2.01 -0.24 0.30 115.64 123.93 2joz s THR 39 Ca 0.03 -0.87 -0.12 0.00 0.31 0.00 0.00 61.69 61.04 2joz s THR 39 Cb -0.12 -1.66 -0.02 0.00 0.01 0.00 0.00 72.50 70.70 2joz s THR 39 CO 0.02 0.51 0.21 -0.36 -0.69 0.00 0.00 174.62 174.32 2joz s PHE 40 N 0.83 3.22 0.42 4.92 0.08 -1.19 -0.67 117.98 125.58 2joz s PHE 40 Ca -0.08 -0.20 0.08 0.00 0.12 0.00 0.00 56.93 56.85 2joz s PHE 40 Cb -0.16 -2.43 -0.01 0.00 -0.57 0.00 0.00 43.02 39.85 2joz s PHE 40 CO -0.01 -0.33 0.44 0.99 -0.10 0.00 0.00 175.22 176.21 2joz s THR 41 N 1.71 2.76 0.14 0.64 2.01 0.53 -4.42 115.64 119.01 2joz s THR 41 Ca 0.06 -1.23 -0.16 0.00 0.31 0.00 0.00 61.69 60.67 2joz s THR 41 Cb -0.17 -2.99 0.00 0.00 0.01 0.00 0.00 72.50 69.35 2joz s THR 41 CO 0.10 0.00 1.76 -0.08 -0.69 0.00 0.00 174.62 175.71 2joz h GLU 42 N 0.89 0.53 -0.00 4.92 4.81 -2.01 -3.17 114.58 120.55 2joz h GLU 42 Ca -0.41 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 2joz h GLU 42 Cb 1.27 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.54 2joz h GLU 42 CO 0.53 0.41 -0.91 -0.25 -0.73 0.00 0.00 179.01 178.06 2joz n ASP 43 N -4.76 1.15 -3.61 1.04 9.92 -1.26 -4.94 116.55 114.09 2joz n ASP 43 Ca 0.00 -1.07 -0.16 0.00 -0.53 0.00 0.00 54.79 53.03 2joz n ASP 43 Cb 0.07 0.91 -0.07 0.00 -0.64 0.00 0.00 41.12 41.38 2joz n ASP 43 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 2joz s GLU 44 N -2.92 0.89 -0.29 -1.24 -1.05 -1.20 -4.23 118.70 108.67 2joz s GLU 44 Ca 0.10 0.26 -0.10 0.00 -0.15 0.00 0.00 54.97 55.07 2joz s GLU 44 Cb 0.16 0.42 -0.04 0.00 -0.44 0.00 0.00 34.13 34.24 2joz s GLU 44 CO 0.82 -0.25 0.17 0.08 0.95 0.00 0.00 175.26 177.04 2joz s VAL 45 N -0.94 5.02 -0.24 1.83 1.01 0.19 -0.35 120.40 126.93 2joz s VAL 45 Ca -0.10 -0.03 -0.10 0.00 0.00 0.00 0.00 61.98 61.76 2joz s VAL 45 Cb -0.02 -3.43 -0.05 0.00 0.00 0.00 0.00 36.38 32.88 2joz s VAL 45 CO 0.07 0.21 0.14 -0.69 0.00 0.00 0.00 175.10 174.82 2joz s VAL 46 N 1.71 5.13 -0.10 2.92 1.01 0.15 -0.90 120.40 130.33 2joz s VAL 46 Ca 0.06 0.10 -0.11 0.00 0.00 0.00 0.00 61.98 62.03 2joz s VAL 46 Cb -0.16 -3.39 -0.05 0.00 0.00 0.00 0.00 36.38 32.78 2joz s VAL 46 CO 0.09 0.35 0.26 -1.61 0.00 0.00 0.00 175.10 174.19 2joz s GLU 47 N 1.12 3.85 -0.06 2.72 2.02 -1.26 -1.08 118.70 126.01 2joz s GLU 47 Ca 0.07 0.08 0.03 0.00 0.02 0.00 0.00 54.97 55.16 2joz s GLU 47 Cb -0.14 -3.28 0.01 0.00 0.10 0.00 0.00 34.13 30.82 2joz s GLU 47 CO 0.05 0.58 -0.13 0.99 0.02 0.00 0.00 175.26 176.77 2joz s THR 48 N -0.55 1.17 -0.05 3.63 2.01 0.43 -0.69 115.64 121.58 2joz s THR 48 Ca 0.17 -0.52 0.06 0.00 0.31 0.00 0.00 61.69 61.72 2joz s THR 48 Cb -0.14 -1.05 -0.01 0.00 0.01 0.00 0.00 72.50 71.31 2joz s THR 48 CO 0.06 0.36 -0.24 -1.61 -0.69 0.00 0.00 174.62 172.50 2joz s GLU 49 N 0.51 2.43 -0.37 4.92 2.02 0.58 0.41 118.70 129.20 2joz s GLU 49 Ca -0.12 -0.88 -0.16 0.00 0.02 0.00 0.00 54.97 53.82 2joz s GLU 49 Cb -0.14 -2.09 -0.00 0.00 0.10 0.00 0.00 34.13 31.99 2joz s GLU 49 CO 0.03 0.39 0.41 0.08 0.02 0.00 0.00 175.26 176.20 2joz s VAL 50 N -0.21 5.12 -0.13 2.63 1.01 -0.71 -0.61 120.40 127.51 2joz s VAL 50 Ca -0.02 -0.02 0.03 0.00 0.00 0.00 0.00 61.98 61.97 2joz s VAL 50 Cb -0.13 -3.91 0.01 0.00 0.00 0.00 0.00 36.38 32.34 2joz s VAL 50 CO 0.03 -0.22 -0.22 -0.32 0.00 0.00 0.00 175.10 174.37 2joz s MET 51 N 2.12 3.05 -0.50 2.72 1.75 -0.98 -1.95 119.30 125.50 2joz s MET 51 Ca 0.13 -0.86 -0.28 0.00 -1.25 0.00 0.00 55.69 53.43 2joz s MET 51 Cb -0.16 -2.40 0.01 0.00 2.84 0.00 0.00 34.83 35.12 2joz s MET 51 CO 0.13 0.06 1.45 -2.00 -0.65 0.00 0.00 175.02 174.01 2joz s GLU 52 N 0.64 3.37 0.00 4.11 -6.30 -1.26 -0.82 118.70 118.43 2joz s GLU 52 Ca -0.11 0.68 0.00 0.00 -2.50 0.00 0.00 54.97 53.04 2joz s GLU 52 Cb -0.16 -4.10 0.00 0.00 0.00 0.00 0.00 34.13 29.86 2joz s GLU 52 CO 0.02 -1.84 0.00 0.41 0.02 0.00 0.00 175.26 173.87 2joz n GLY 53 N 5.22 1.29 0.29 -1.50 0.00 -1.26 -4.92 105.19 104.32 2joz n GLY 53 Ca 0.15 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 0.42 0.00 1.61 5.12 -0.77 -5.15 116.66 117.89 2joz n ARG 54 Ca 0.00 0.17 0.00 0.00 -1.93 0.00 0.00 57.85 56.09 2joz n ARG 54 Cb 0.00 -1.23 0.00 0.00 -1.16 0.00 0.00 32.46 30.07 2joz n ARG 54 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2joz n GLY 55 N 1.89 0.37 3.70 -0.13 0.00 -0.00 -5.01 105.19 106.01 2joz n GLY 55 Ca -0.11 -2.28 -0.42 0.00 0.00 0.00 0.00 46.02 43.21 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 -0.10 4.33 -0.17 1.61 8.01 -1.26 -2.32 118.70 128.80 2joz s GLU 56 Ca 0.00 1.90 0.01 0.00 0.01 0.00 0.00 54.97 56.89 2joz s GLU 56 Cb 0.00 -3.46 0.01 0.00 -4.31 0.00 0.00 34.13 26.37 2joz s GLU 56 CO 0.00 -0.46 -0.18 0.08 0.01 0.00 0.00 175.26 174.71 2joz s VAL 57 N 1.83 2.32 -0.18 2.63 1.01 0.23 -4.89 120.40 123.35 2joz s VAL 57 Ca 0.62 -0.87 -0.16 0.00 0.00 0.00 0.00 61.98 61.56 2joz s VAL 57 Cb -0.31 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 2joz s VAL 57 CO 0.27 0.53 0.42 -1.10 0.00 0.00 0.00 175.10 175.21 2joz s GLN 58 N 1.06 4.22 0.36 2.72 -0.21 -1.26 -0.31 119.66 126.25 2joz s GLN 58 Ca -0.01 0.26 0.02 0.00 0.02 0.00 0.00 55.36 55.65 2joz s GLN 58 Cb -0.14 -3.50 -0.02 0.00 1.00 0.00 0.00 33.01 30.34 2joz s GLN 58 CO -0.06 0.02 0.55 -0.51 -2.12 0.00 0.00 175.29 173.17 2joz s LEU 59 N 1.10 3.95 0.24 2.90 1.43 0.14 -4.99 118.68 123.45 2joz s LEU 59 Ca 0.21 0.28 -0.30 0.00 -1.03 0.00 0.00 54.13 53.29 2joz s LEU 59 Cb -0.15 -3.15 -0.14 0.00 0.03 0.00 0.00 46.19 42.78 2joz s LEU 59 CO 0.08 -0.39 1.15 -2.65 0.23 0.00 0.00 176.35 174.77 2joz n PRO 60 N -1.80 1.44 -2.14 1.29 -0.02 -1.26 -4.18 135.00 128.33 2joz n PRO 60 Ca -0.03 0.51 -0.34 0.00 -2.02 0.00 0.00 63.50 61.62 2joz n PRO 60 Cb 0.57 -1.99 0.01 0.00 -0.02 0.00 0.00 33.50 32.07 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 -0.56 2.82 -0.05 6.00 -0.12 -1.26 -4.69 117.98 120.11 2joz s PHE 61 Ca 0.65 1.54 0.02 0.00 -0.05 0.00 0.00 56.93 59.10 2joz s PHE 61 Cb -0.74 -3.14 -0.03 0.00 -0.63 0.00 0.00 43.02 38.48 2joz s PHE 61 CO 0.55 -1.32 -0.10 -1.64 -0.05 0.00 0.00 175.22 172.67 2joz s MET 62 N -3.68 2.63 0.23 1.99 -1.94 -0.07 -4.89 119.30 113.57 2joz s MET 62 Ca 0.68 -0.62 -0.21 0.00 -1.71 0.00 0.00 55.69 53.82 2joz s MET 62 Cb -0.19 -2.50 -0.08 0.00 2.01 0.00 0.00 34.83 34.06 2joz s MET 62 CO 0.32 0.64 0.76 0.00 -0.01 0.00 0.00 175.02 176.73 2joz s ALA 63 N -0.80 3.39 0.18 3.03 0.00 -1.26 0.57 121.76 126.87 2joz s ALA 63 Ca 0.13 0.24 -0.09 0.00 0.00 0.00 0.00 51.96 52.24 2joz s ALA 63 Cb -0.11 -2.89 -0.01 0.00 0.00 0.00 0.00 23.12 20.11 2joz s ALA 63 CO 0.02 0.30 0.29 1.52 0.00 0.00 0.00 175.76 177.89 2joz s TYR 64 N -1.49 0.48 0.18 0.00 1.13 -1.26 -1.09 117.35 115.30 2joz s TYR 64 Ca 0.43 -0.83 0.07 0.00 -1.41 0.00 0.00 57.07 55.33 2joz s TYR 64 Cb -0.18 -0.08 -0.04 0.00 -1.10 0.00 0.00 41.96 40.56 2joz s TYR 64 CO 0.22 -0.75 -0.13 -1.59 -2.51 0.00 0.00 175.55 170.78 2joz s LYS 65 N -4.00 1.22 -0.21 -3.49 -2.85 0.16 -4.88 119.74 105.69 2joz s LYS 65 Ca 0.20 -1.51 -0.08 0.00 -1.00 0.00 0.00 55.97 53.58 2joz s LYS 65 Cb 0.03 -0.97 -0.04 0.00 -2.06 0.00 0.00 37.83 34.79 2joz s LYS 65 CO 0.03 0.16 0.09 0.08 0.10 0.00 0.00 175.35 175.80 2joz s VAL 66 N -2.96 4.79 -0.17 1.79 1.01 -1.26 -0.05 120.40 123.55 2joz s VAL 66 Ca 0.19 -0.03 -0.23 0.00 0.00 0.00 0.00 61.98 61.92 2joz s VAL 66 Cb -0.00 -3.19 -0.20 0.00 0.00 0.00 0.00 36.38 32.98 2joz s VAL 66 CO 0.05 0.40 0.40 0.40 0.00 0.00 0.00 175.10 176.35 2joz h ILE 67 N 5.08 1.16 -3.96 2.22 2.04 -0.94 -3.48 117.51 119.63 2joz h ILE 67 Ca -0.37 -2.11 -0.10 0.00 1.00 0.00 0.00 64.86 63.28 2joz h ILE 67 Cb 1.17 2.42 -0.14 0.00 -0.74 0.00 0.00 36.82 39.54 2joz h ILE 67 CO 0.66 0.39 -0.45 -0.44 0.00 0.00 0.00 178.15 178.31 2joz s SER 68 N -6.46 0.20 -0.13 1.72 0.01 -0.80 -4.99 113.70 103.25 2joz s SER 68 Ca -0.22 -0.81 -0.08 0.00 1.31 0.00 0.00 55.95 56.14 2joz s SER 68 Cb 0.02 0.32 0.05 0.00 0.21 0.00 0.00 66.02 66.62 2joz s SER 68 CO 0.57 -0.73 0.32 -1.58 0.41 0.00 0.00 173.24 172.24 2joz s GLN 69 N -3.91 0.32 -0.18 12.44 0.74 -1.26 -0.48 119.66 127.33 2joz s GLN 69 Ca 0.09 0.59 -0.07 0.00 0.05 0.00 0.00 55.36 56.03 2joz s GLN 69 Cb 0.05 0.00 0.08 0.00 1.10 0.00 0.00 33.01 34.25 2joz s GLN 69 CO -0.08 -0.13 0.39 0.45 -0.55 0.00 0.00 175.29 175.37 2joz s SER 70 N 0.98 -0.19 0.26 6.67 0.15 -0.24 -4.95 113.70 116.39 2joz s SER 70 Ca -0.07 0.90 0.26 0.00 0.70 0.00 0.00 55.95 57.74 2joz s SER 70 Cb -0.07 1.12 0.79 0.00 -1.71 0.00 0.00 66.02 66.14 2joz s SER 70 CO -0.07 -0.23 1.75 0.71 1.20 0.00 0.00 173.24 176.60 2joz h THR 71 N 6.08 0.00 0.00 6.45 1.35 -2.01 -2.56 112.91 122.22 2joz h THR 71 Ca -0.19 -0.52 -0.04 0.00 -0.55 0.00 0.00 66.41 65.10 2joz h THR 71 Cb 1.12 1.48 -0.01 0.00 -1.73 0.00 0.00 68.15 69.01 2joz h THR 71 CO 0.16 0.00 -1.83 -0.90 -0.25 0.00 0.00 175.52 172.70 2joz n ASP 72 N -2.42 1.07 0.00 5.36 5.68 -1.26 -4.84 116.55 120.14 2joz n ASP 72 Ca 0.05 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.33 2joz n ASP 72 Cb 0.41 1.66 -0.00 0.00 -1.14 0.00 0.00 41.12 42.04 2joz n ASP 72 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2joz n GLY 73 N 1.60 -0.11 3.63 6.12 0.00 -1.23 -4.97 105.19 110.22 2joz n GLY 73 Ca -0.06 -0.03 -0.03 0.00 0.00 0.00 0.00 46.02 45.89 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 -5.07 -0.07 -0.09 1.61 0.15 -0.97 -4.05 113.70 105.21 2joz s SER 74 Ca -0.03 0.03 0.03 0.00 0.70 0.00 0.00 55.95 56.68 2joz s SER 74 Cb 0.00 0.07 -0.01 0.00 -1.71 0.00 0.00 66.02 64.37 2joz s SER 74 CO 0.04 -0.11 -0.19 -0.63 1.20 0.00 0.00 173.24 173.56 2joz s ILE 75 N -1.87 2.59 -0.19 6.45 1.01 0.16 -1.07 121.20 128.27 2joz s ILE 75 Ca 0.10 -0.85 -0.04 0.00 0.00 0.00 0.00 60.65 59.86 2joz s ILE 75 Cb -0.01 -2.02 -0.02 0.00 0.01 0.00 0.00 42.46 40.42 2joz s ILE 75 CO -0.04 0.55 -0.04 -0.70 0.00 0.00 0.00 174.94 174.71 2joz s GLU 76 N 0.07 3.47 0.20 2.79 2.12 0.37 0.01 118.70 127.72 2joz s GLU 76 Ca -0.08 -0.60 0.09 0.00 0.36 0.00 0.00 54.97 54.74 2joz s GLU 76 Cb -0.15 -2.96 -0.04 0.00 0.26 0.00 0.00 34.13 31.23 2joz s GLU 76 CO 0.05 -0.04 -0.17 0.96 -0.54 0.00 0.00 175.26 175.53 2joz s ILE 77 N 1.07 1.88 -0.00 -3.70 -4.36 -0.41 -0.25 121.20 115.42 2joz s ILE 77 Ca 0.01 -2.11 0.01 0.00 -0.26 0.00 0.00 60.65 58.29 2joz s ILE 77 Cb -0.15 -1.99 -0.00 0.00 1.25 0.00 0.00 42.46 41.57 2joz s ILE 77 CO 0.00 -0.45 -0.02 -1.58 0.24 0.00 0.00 174.94 173.13 2joz s GLN 78 N -3.26 0.17 0.35 0.37 0.74 0.93 -0.08 119.66 118.88 2joz s GLN 78 Ca 0.21 -0.07 -0.09 0.00 0.05 0.00 0.00 55.36 55.45 2joz s GLN 78 Cb -0.03 -0.16 -0.06 0.00 1.10 0.00 0.00 33.01 33.85 2joz s GLN 78 CO 0.08 0.04 0.69 0.71 -0.55 0.00 0.00 175.29 176.26 2joz s TYR 79 N -0.04 3.46 0.38 1.67 2.02 -1.12 0.39 117.35 124.11 2joz s TYR 79 Ca 0.01 0.94 0.03 0.00 -0.37 0.00 0.00 57.07 57.67 2joz s TYR 79 Cb -0.01 -2.34 0.03 0.00 -0.40 0.00 0.00 41.96 39.24 2joz s TYR 79 CO -0.00 0.02 0.26 1.28 -1.57 0.00 0.00 175.55 175.54 2joz n LEU 80 N -1.03 0.00 0.00 -1.29 4.77 -0.25 -3.41 117.00 115.78 2joz n LEU 80 Ca 0.01 -2.04 0.00 0.00 -0.03 0.00 0.00 56.01 53.96 2joz n LEU 80 Cb 0.54 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 2joz n LEU 80 CO 0.47 -0.47 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 2joz n GLY 81 N 0.38 -0.65 0.23 -0.72 0.00 -1.26 -3.41 105.19 99.75 2joz n GLY 81 Ca -0.03 -1.16 0.16 0.00 0.00 0.00 0.00 46.02 44.99 2joz n GLY 81 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2joz h PRO 82 N 0.00 0.00 -0.75 1.61 0.11 -1.99 -1.92 132.00 129.06 2joz h PRO 82 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 2joz h PRO 82 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 2joz h PRO 82 CO 0.00 0.00 0.02 0.66 -0.21 0.00 0.00 178.00 178.47 2joz n TYR 83 N -2.59 1.32 -0.49 0.65 4.02 -1.22 -4.96 117.16 113.89 2joz n TYR 83 Ca -0.01 -0.49 -0.29 0.00 -0.01 0.00 0.00 57.90 57.10 2joz n TYR 83 Cb 0.08 -0.37 0.27 0.00 -0.02 0.00 0.00 39.34 39.30 2joz n TYR 83 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 176.86 177.37 2joz s TYR 84 N -2.09 0.80 0.00 -0.72 1.13 -0.72 -2.86 117.35 112.88 2joz s TYR 84 Ca 0.34 0.99 0.00 0.00 -1.41 0.00 0.00 57.07 56.99 2joz s TYR 84 Cb 0.26 -3.03 0.00 0.00 -1.10 0.00 0.00 41.96 38.09 2joz s TYR 84 CO 0.10 -4.25 0.00 -2.30 -2.51 0.00 0.00 175.55 166.58 2joz n PRO 85 N -5.17 0.00 -2.03 -3.49 -0.02 -1.26 -4.84 135.00 118.19 2joz n PRO 85 Ca 0.05 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.13 2joz n PRO 85 Cb 0.56 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 34.01 2joz n PRO 85 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2joz s LEU 86 N 0.00 3.39 0.50 2.45 2.96 -1.13 -4.94 118.68 121.90 2joz s LEU 86 Ca 0.00 0.74 0.08 0.00 -0.22 0.00 0.00 54.13 54.73 2joz s LEU 86 Cb 0.00 -2.95 0.04 0.00 0.50 0.00 0.00 46.19 43.78 2joz s LEU 86 CO 0.00 -2.09 0.57 -1.59 -1.32 0.00 0.00 176.35 171.92 2joz s LYS 87 N 6.44 2.46 0.10 1.98 -2.85 -1.26 -2.81 119.74 123.80 2joz s LYS 87 Ca 0.72 -1.61 -0.06 0.00 -1.00 0.00 0.00 55.97 54.02 2joz s LYS 87 Cb -0.16 -2.50 -0.02 0.00 -2.06 0.00 0.00 37.83 33.10 2joz s LYS 87 CO 0.26 -0.53 0.14 0.45 0.10 0.00 0.00 175.35 175.77 2joz s SER 88 N -4.39 0.22 0.02 0.03 0.15 0.88 -4.76 113.70 105.85 2joz s SER 88 Ca 0.51 -0.83 0.07 0.00 0.70 0.00 0.00 55.95 56.41 2joz s SER 88 Cb -0.05 0.32 -0.02 0.00 -1.71 0.00 0.00 66.02 64.55 2joz s SER 88 CO 0.31 -0.72 -0.21 -0.89 1.20 0.00 0.00 173.24 172.93 2joz s THR 89 N -3.91 1.67 -0.14 6.45 2.01 -0.54 -1.29 115.64 119.88 2joz s THR 89 Ca 0.09 -1.08 0.01 0.00 0.31 0.00 0.00 61.69 61.02 2joz s THR 89 Cb 0.06 -1.42 0.02 0.00 0.01 0.00 0.00 72.50 71.16 2joz s THR 89 CO -0.08 0.31 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.24 2joz s LEU 90 N -0.91 1.82 0.29 4.42 1.43 0.10 0.42 118.68 126.25 2joz s LEU 90 Ca 0.08 -0.50 0.11 0.00 -1.03 0.00 0.00 54.13 52.79 2joz s LEU 90 Cb -0.08 -1.23 -0.05 0.00 0.03 0.00 0.00 46.19 44.86 2joz s LEU 90 CO 0.01 -0.00 -0.16 -0.54 0.23 0.00 0.00 176.35 175.89 2joz s LYS 91 N 1.18 1.80 0.37 1.70 1.02 0.35 0.36 119.74 126.51 2joz s LYS 91 Ca -0.01 -1.73 -0.26 0.00 0.02 0.00 0.00 55.97 53.99 2joz s LYS 91 Cb -0.14 -1.83 -0.09 0.00 -0.52 0.00 0.00 37.83 35.25 2joz s LYS 91 CO -0.06 0.31 1.18 -0.98 -0.92 0.00 0.00 175.35 174.88 2joz s ARG 92 N -3.55 4.18 0.26 1.68 1.70 -1.26 -0.53 118.95 121.43 2joz s ARG 92 Ca 0.31 1.88 -0.23 0.00 -0.47 0.00 0.00 55.73 57.21 2joz s ARG 92 Cb -0.04 -2.80 -0.09 0.00 -0.57 0.00 0.00 34.95 31.45 2joz s ARG 92 CO 0.16 -0.22 0.83 0.20 -1.08 0.00 0.00 175.30 175.19 2joz s GLY 93 N -1.02 2.75 0.22 3.88 0.00 0.13 -4.65 107.32 108.63 2joz s GLY 93 Ca 0.54 0.36 -0.08 0.00 0.00 0.00 0.00 44.72 45.54 2joz s GLY 93 CO 0.41 0.77 1.77 0.83 0.00 0.00 0.00 173.10 176.88 2joz h GLU 94 N 3.44 0.54 -2.81 2.90 5.08 -1.94 -3.28 114.58 118.51 2joz h GLU 94 Ca -0.47 -0.03 -0.61 0.00 -1.00 0.00 0.00 59.36 57.25 2joz h GLU 94 Cb 1.19 -0.12 -0.40 0.00 0.50 0.00 0.00 28.75 29.92 2joz h GLU 94 CO 0.65 0.36 -0.74 -0.80 -1.00 0.00 0.00 179.01 177.48 2joz s ASN 95 N -5.48 3.43 -1.18 1.42 0.02 -1.26 -4.93 114.94 106.95 2joz s ASN 95 Ca -0.13 -3.42 -0.07 0.00 -1.02 0.00 0.00 52.86 48.23 2joz s ASN 95 Cb 0.17 -1.12 -0.02 0.00 0.02 0.00 0.00 41.25 40.30 2joz s ASN 95 CO 0.76 -0.14 0.82 0.61 0.02 0.00 0.00 177.10 179.16 2joz n GLY 96 N 2.48 -0.71 3.35 0.66 0.00 -1.24 -4.99 105.19 104.75 2joz n GLY 96 Ca 0.22 0.33 -0.15 0.00 0.00 0.00 0.00 46.02 46.42 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 -3.51 0.00 -0.07 2.61 -4.23 -1.26 -4.89 115.64 104.29 2joz s THR 97 Ca 0.24 -1.82 0.05 0.00 -1.18 0.00 0.00 61.69 58.98 2joz s THR 97 Cb -0.06 -2.50 -0.01 0.00 1.34 0.00 0.00 72.50 71.27 2joz s THR 97 CO 0.79 0.00 -0.22 -0.22 -0.54 0.00 0.00 174.62 174.43 2joz s LEU 98 N -3.23 2.23 -0.36 4.79 2.96 -0.99 0.22 118.68 124.29 2joz s LEU 98 Ca 0.35 -0.45 -0.10 0.00 -0.22 0.00 0.00 54.13 53.71 2joz s LEU 98 Cb 0.03 -1.42 0.02 0.00 0.50 0.00 0.00 46.19 45.32 2joz s LEU 98 CO 0.19 0.25 0.19 -0.63 -1.32 0.00 0.00 176.35 175.02 2joz s ILE 99 N -0.17 4.50 -0.38 6.68 1.01 0.31 -2.45 121.20 130.70 2joz s ILE 99 Ca -0.03 -0.81 -0.16 0.00 0.00 0.00 0.00 60.65 59.66 2joz s ILE 99 Cb -0.14 -3.48 0.00 0.00 0.01 0.00 0.00 42.46 38.86 2joz s ILE 99 CO 0.04 -0.18 0.36 0.86 0.00 0.00 0.00 174.94 176.02 2joz s TRP 100 N 1.55 3.20 -0.18 3.97 -0.00 0.27 -0.50 118.94 127.26 2joz s TRP 100 Ca 0.02 -0.25 -0.08 0.00 -0.00 0.00 0.00 56.10 55.79 2joz s TRP 100 Cb -0.19 -2.70 -0.04 0.00 -0.00 0.00 0.00 33.47 30.54 2joz s TRP 100 CO 0.06 -0.53 0.09 -1.21 -0.00 0.00 0.00 176.95 175.36 2joz s GLU 101 N 1.96 3.94 -0.18 5.86 2.02 0.17 0.21 118.70 132.67 2joz s GLU 101 Ca 0.10 -0.28 -0.08 0.00 0.02 0.00 0.00 54.97 54.74 2joz s GLU 101 Cb -0.17 -3.26 0.08 0.00 0.10 0.00 0.00 34.13 30.87 2joz s GLU 101 CO 0.12 0.37 0.41 -1.14 0.02 0.00 0.00 175.26 175.03 2joz s GLN 102 N 0.13 0.34 -2.04 1.61 -0.44 -1.02 -1.47 119.66 116.77 2joz s GLN 102 Ca 0.07 0.93 0.00 0.00 -2.50 0.00 0.00 55.36 53.86 2joz s GLN 102 Cb -0.12 0.18 0.00 0.00 -1.64 0.00 0.00 33.01 31.44 2joz s GLN 102 CO -0.00 -0.22 0.00 0.09 0.50 0.00 0.00 175.29 175.66 2joz n ASN 103 N 4.99 -5.38 0.00 6.67 3.02 -1.26 -1.65 115.26 121.64 2joz n ASN 103 Ca -0.14 0.48 0.00 0.00 -0.03 0.00 0.00 54.58 54.89 2joz n ASN 103 Cb 0.52 -4.57 0.00 0.00 -0.61 0.00 0.00 39.78 35.11 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 -0.53 3.02 3.86 7.41 0.00 -1.26 -5.07 105.19 112.63 2joz n GLY 104 Ca -0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 2joz n GLY 104 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2joz s GLN 105 N -0.61 3.83 -0.30 1.61 -2.07 -0.66 -5.05 119.66 116.41 2joz s GLN 105 Ca 0.00 0.28 -0.17 0.00 -1.82 0.00 0.00 55.36 53.65 2joz s GLN 105 Cb 0.00 -2.94 -0.02 0.00 -1.09 0.00 0.00 33.01 28.96 2joz s GLN 105 CO 0.00 0.51 0.46 0.50 -1.32 0.00 0.00 175.29 175.44 2joz s ARG 106 N -2.03 3.87 -0.30 9.60 3.52 -1.26 -2.44 118.95 129.91 2joz s ARG 106 Ca 0.36 0.03 -0.16 0.00 -0.13 0.00 0.00 55.73 55.83 2joz s ARG 106 Cb -0.14 -3.72 -0.02 0.00 -1.56 0.00 0.00 34.95 29.51 2joz s ARG 106 CO 0.19 -0.44 0.42 0.15 -0.81 0.00 0.00 175.30 174.81 2joz s LYS 107 N 2.25 3.85 -0.35 5.12 -0.14 0.13 -4.96 119.74 125.65 2joz s LYS 107 Ca 0.18 -0.05 -0.13 0.00 -1.36 0.00 0.00 55.97 54.61 2joz s LYS 107 Cb -0.16 -3.72 -0.01 0.00 -1.68 0.00 0.00 37.83 32.26 2joz s LYS 107 CO 0.11 -0.42 0.25 0.99 -0.76 0.00 0.00 175.35 175.52 2joz s THR 108 N 2.17 5.26 -0.02 2.17 2.01 -1.26 -0.57 115.64 125.40 2joz s THR 108 Ca 0.16 -0.29 0.04 0.00 0.31 0.00 0.00 61.69 61.92 2joz s THR 108 Cb -0.16 -3.74 -0.01 0.00 0.01 0.00 0.00 72.50 68.61 2joz s THR 108 CO 0.11 -0.05 -0.16 0.00 -0.69 0.00 0.00 174.62 173.83 2joz s MET 109 N 1.71 1.42 0.00 4.92 0.23 -1.02 -4.77 119.30 121.79 2joz s MET 109 Ca 0.06 -0.55 -0.02 0.00 -1.03 0.00 0.00 55.69 54.15 2joz s MET 109 Cb -0.18 -1.31 -0.04 0.00 -1.53 0.00 0.00 34.83 31.77 2joz s MET 109 CO 0.10 0.28 0.16 0.95 -2.03 0.00 0.00 175.02 174.49 2joz s THR 110 N -0.17 5.26 -0.06 3.16 -4.23 -1.25 -2.35 115.64 116.00 2joz s THR 110 Ca 0.02 -0.25 -0.29 0.00 -1.18 0.00 0.00 61.69 59.99 2joz s THR 110 Cb -0.08 -3.46 -0.02 0.00 1.34 0.00 0.00 72.50 70.28 2joz s THR 110 CO 0.00 0.31 0.97 -0.60 -0.54 0.00 0.00 174.62 174.76 2joz s ARG 111 N -1.96 4.48 0.40 3.99 3.52 -1.26 -2.41 118.95 125.70 2joz s ARG 111 Ca 0.27 1.36 -0.25 0.00 -0.13 0.00 0.00 55.73 56.99 2joz s ARG 111 Cb -0.13 -3.50 -0.09 0.00 -1.56 0.00 0.00 34.95 29.68 2joz s ARG 111 CO 0.19 -0.17 1.09 0.42 -0.81 0.00 0.00 175.30 176.01 2joz s ILE 112 N 1.49 3.52 -0.24 4.11 -1.09 0.14 -4.99 121.20 124.14 2joz s ILE 112 Ca 0.49 1.21 0.02 0.00 -2.23 0.00 0.00 60.65 60.14 2joz s ILE 112 Cb -0.19 -3.64 0.05 0.00 -1.58 0.00 0.00 42.46 37.09 2joz s ILE 112 CO 0.22 0.05 -0.11 -0.70 -1.23 0.00 0.00 174.94 173.17 2joz s GLU 113 N -2.40 2.21 -0.82 2.79 2.56 -1.26 -4.56 118.70 117.23 2joz s GLU 113 Ca 0.57 -1.18 -0.19 0.00 0.00 0.00 0.00 54.97 54.18 2joz s GLU 113 Cb -0.25 -2.75 0.13 0.00 2.00 0.00 0.00 34.13 33.26 2joz s GLU 113 CO 0.32 -0.52 0.97 -1.12 -0.56 0.00 0.00 175.26 174.35 2joz s SER 114 N 1.20 6.51 -0.21 -1.70 0.01 -1.26 -4.75 113.70 113.50 2joz s SER 114 Ca -0.06 -1.90 0.15 0.00 1.31 0.00 0.00 55.95 55.45 2joz s SER 114 Cb -0.19 -2.35 0.71 0.00 0.21 0.00 0.00 66.02 64.40 2joz s SER 114 CO -0.06 -1.05 1.62 0.29 0.41 0.00 0.00 173.24 174.45 2joz n LYS 115 N 6.26 4.12 -4.01 12.44 4.01 -1.26 -4.96 118.16 134.76 2joz n LYS 115 Ca 0.13 -3.03 -0.09 0.00 -0.51 0.00 0.00 58.31 54.81 2joz n LYS 115 Cb 0.47 -2.09 -0.11 0.00 -0.51 0.00 0.00 35.03 32.79 2joz n LYS 115 CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 2joz s THR 116 N -2.73 0.17 0.02 -0.18 -1.32 -1.26 -5.09 115.64 105.25 2joz s THR 116 Ca 0.50 -1.13 -0.00 0.00 -1.21 0.00 0.00 61.69 59.85 2joz s THR 116 Cb 0.38 -0.57 -0.00 0.00 -1.51 0.00 0.00 72.50 70.80 2joz s THR 116 CO 0.14 -0.60 -0.01 0.61 -2.21 0.00 0.00 174.62 172.55 2joz n GLY 117 N 1.25 0.01 2.88 6.08 0.00 -1.26 -5.10 105.19 109.05 2joz n GLY 117 Ca -0.22 -0.01 -0.07 0.00 0.00 0.00 0.00 46.02 45.72 2joz n GLY 117 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2joz n ARG 118 N -2.81 -2.62 -3.38 1.61 0.63 -1.26 -4.98 116.66 103.85 2joz n ARG 118 Ca -0.00 2.23 -0.38 0.00 -0.92 0.00 0.00 57.85 58.77 2joz n ARG 118 Cb 0.01 -4.97 -0.06 0.00 0.45 0.00 0.00 32.46 27.90 2joz n ARG 118 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 2joz s GLU 119 N -2.15 4.22 0.25 -0.14 1.03 -1.26 -5.08 118.70 115.57 2joz s GLU 119 Ca 0.16 0.43 0.01 0.00 0.03 0.00 0.00 54.97 55.59 2joz s GLU 119 Cb -0.04 -3.37 -0.04 0.00 -0.80 0.00 0.00 34.13 29.89 2joz s GLU 119 CO 0.74 0.33 0.42 -1.21 -1.33 0.00 0.00 175.26 174.21 2joz s GLU 120 N 0.07 3.49 0.55 -4.83 0.41 -1.26 -5.12 118.70 112.02 2joz s GLU 120 Ca 0.25 -0.43 0.00 0.00 -0.41 0.00 0.00 54.97 54.39 2joz s GLU 120 Cb -0.16 -2.81 0.11 0.00 -1.78 0.00 0.00 34.13 29.50 2joz s GLU 120 CO 0.11 0.34 0.76 1.63 -0.49 0.00 0.00 175.26 177.61 2joz n LYS 121 N -1.09 0.10 -3.42 1.61 4.76 -1.26 -5.10 118.16 113.76 2joz n LYS 121 Ca -0.06 -2.12 -0.32 0.00 -2.87 0.00 0.00 58.31 52.94 2joz n LYS 121 Cb 0.55 -0.49 -0.05 0.00 -1.84 0.00 0.00 35.03 33.20 2joz n LYS 121 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2joz s ASP 122 N -4.11 6.64 -0.66 4.39 -1.08 -1.26 -5.01 116.67 115.58 2joz s ASP 122 Ca 0.51 0.92 -0.28 0.00 -0.52 0.00 0.00 52.55 53.19 2joz s ASP 122 Cb -0.03 -2.23 0.03 0.00 -1.46 0.00 0.00 42.92 39.23 2joz s ASP 122 CO 0.34 -0.04 1.24 -0.70 0.52 0.00 0.00 175.17 176.53 2joz s GLU 123 N -2.69 3.34 -0.14 4.34 -6.30 -1.26 -4.98 118.70 111.02 2joz s GLU 123 Ca 0.46 0.01 0.02 0.00 -2.50 0.00 0.00 54.97 52.96 2joz s GLU 123 Cb -0.12 -4.10 0.01 0.00 0.00 0.00 0.00 34.13 29.92 2joz s GLU 123 CO 0.21 -1.93 -0.22 0.15 0.02 0.00 0.00 175.26 173.49 2joz s LYS 124 N 5.37 2.99 0.08 4.30 -0.14 -1.26 -5.12 119.74 125.97 2joz s LYS 124 Ca 0.39 -0.85 0.05 0.00 -1.36 0.00 0.00 55.97 54.21 2joz s LYS 124 Cb -0.08 -2.42 -0.03 0.00 -1.68 0.00 0.00 37.83 33.62 2joz s LYS 124 CO 0.20 -0.02 -0.14 0.45 -0.76 0.00 0.00 175.35 175.08 2joz s SER 125 N 0.83 1.74 -0.26 2.83 0.15 -1.26 -5.13 113.70 112.60 2joz s SER 125 Ca -0.07 -0.65 0.01 0.00 0.70 0.00 0.00 55.95 55.95 2joz s SER 125 Cb -0.15 -0.05 0.07 0.00 -1.71 0.00 0.00 66.02 64.17 2joz s SER 125 CO -0.02 -0.08 -0.02 -0.75 1.20 0.00 0.00 173.24 173.56 2joz s LYS 126 N -1.89 1.54 -0.37 5.44 2.20 -1.26 -5.07 119.74 120.33 2joz s LYS 126 Ca -0.00 -1.17 -0.03 0.00 -0.36 0.00 0.00 55.97 54.41 2joz s LYS 126 Cb -0.09 -2.64 0.09 0.00 -1.51 0.00 0.00 37.83 33.67 2joz s LYS 126 CO 0.02 -0.70 0.13 0.45 -0.36 0.00 0.00 175.35 174.90 2joz s SER 127 N 1.32 5.14 -0.48 1.43 0.15 -1.26 -5.05 113.70 114.95 2joz s SER 127 Ca -0.02 -1.73 -0.10 0.00 0.70 0.00 0.00 55.95 54.81 2joz s SER 127 Cb -0.19 -1.79 0.12 0.00 -1.71 0.00 0.00 66.02 62.45 2joz s SER 127 CO -0.09 -0.44 0.36 -0.76 1.20 0.00 0.00 173.24 173.52 2joz s LEU 128 N 1.19 5.75 0.52 3.45 1.43 -1.26 -5.08 118.68 124.68 2joz s LEU 128 Ca 0.03 -1.91 -0.11 0.00 -1.03 0.00 0.00 54.13 51.12 2joz s LEU 128 Cb -0.21 -2.03 -0.05 0.00 0.03 0.00 0.00 46.19 43.92 2joz s LEU 128 CO -0.03 -0.71 0.90 -1.83 0.23 0.00 0.00 176.35 174.92 2joz s GLU 129 N 1.38 3.70 -0.33 1.70 -1.05 -1.26 -5.06 118.70 117.78 2joz s GLU 129 Ca 0.05 0.60 -0.11 0.00 -0.15 0.00 0.00 54.97 55.36 2joz s GLU 129 Cb -0.27 -2.23 -0.01 0.00 -0.44 0.00 0.00 34.13 31.18 2joz s GLU 129 CO -0.00 -0.30 0.20 -1.58 0.95 0.00 0.00 175.26 174.52 2joz s HIS 130 N -2.78 3.21 0.00 4.83 5.65 -1.26 -5.06 115.29 119.88 2joz s HIS 130 Ca 0.53 -0.41 -0.30 0.00 0.25 0.00 0.00 55.06 55.13 2joz s HIS 130 Cb -0.10 -2.42 -0.06 0.00 -1.18 0.00 0.00 32.58 28.81 2joz s HIS 130 CO 0.42 -0.42 1.54 -1.01 -0.65 0.00 0.00 174.74 174.63 2joz s HIS 131 N 1.67 2.49 -0.19 3.88 3.76 -1.26 -4.99 115.29 120.64 2joz s HIS 131 Ca 0.05 0.50 0.01 0.00 -0.15 0.00 0.00 55.06 55.47 2joz s HIS 131 Cb -0.17 -3.82 0.04 0.00 1.11 0.00 0.00 32.58 29.74 2joz s HIS 131 CO 0.08 -3.25 -0.09 -3.38 -0.85 0.00 0.00 174.74 167.25 2joz s HIS 132 N 2.94 2.29 -0.05 1.40 -3.43 -1.26 -5.11 115.29 112.07 2joz s HIS 132 Ca 0.69 -1.51 0.01 0.00 -0.80 0.00 0.00 55.06 53.46 2joz s HIS 132 Cb -0.34 -1.58 0.02 0.00 -1.43 0.00 0.00 32.58 29.25 2joz s HIS 132 CO 0.29 -0.72 -0.05 -1.58 -2.00 0.00 0.00 174.74 170.68 2joz s HIS 133 N 1.44 0.79 0.13 0.38 2.46 -1.26 -5.13 115.29 114.10 2joz s HIS 133 Ca -0.01 -0.23 -0.26 0.00 0.47 0.00 0.00 55.06 55.03 2joz s HIS 133 Cb -0.16 -0.71 -0.07 0.00 -0.13 0.00 0.00 32.58 31.51 2joz s HIS 133 CO -0.08 -0.21 0.80 -1.01 -2.47 0.00 0.00 174.74 171.77 2joz s HIS 134 N 0.98 3.86 -2.08 3.88 3.76 -1.26 -5.35 115.29 119.08 2joz s HIS 134 Ca -0.10 1.63 0.17 0.00 -0.15 0.00 0.00 55.06 56.60 2joz s HIS 134 Cb -0.14 -2.82 0.13 0.00 1.11 0.00 0.00 32.58 30.86 2joz s HIS 134 CO -0.00 0.42 1.03 1.58 -0.85 0.00 0.00 174.74 176.91