#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 3.91 -0.24 2.02 1.10 -1.26 -4.89 121.20 121.84 2joz s ILE 2 Ca 0.00 -0.82 -0.16 0.00 -0.51 0.00 0.00 60.65 59.16 2joz s ILE 2 Cb 0.00 -5.01 0.07 0.00 0.15 0.00 0.00 42.46 37.66 2joz s ILE 2 CO 0.00 -1.89 0.59 -0.32 -2.11 0.00 0.00 174.94 171.21 2joz s MET 3 N 5.04 0.63 0.03 3.50 1.75 -1.26 -5.10 119.30 123.89 2joz s MET 3 Ca 0.48 1.00 0.00 0.00 -1.25 0.00 0.00 55.69 55.92 2joz s MET 3 Cb -0.00 0.16 0.00 0.00 2.84 0.00 0.00 34.83 37.83 2joz s MET 3 CO -0.08 -0.13 0.00 0.28 -0.65 0.00 0.00 175.02 174.43 2joz n VAL 4 N 3.84 -8.53 0.03 10.11 0.31 -1.26 -4.97 118.33 117.86 2joz n VAL 4 Ca -0.19 1.83 -0.17 0.00 -0.01 0.00 0.00 64.34 65.80 2joz n VAL 4 Cb 0.57 -4.65 -0.14 0.00 -0.91 0.00 0.00 33.84 28.71 2joz n VAL 4 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2joz h SER 5 N 2.42 0.33 -0.24 4.52 0.02 -2.00 -3.47 113.55 115.13 2joz h SER 5 Ca 0.00 -0.59 0.26 0.00 -0.84 0.00 0.00 61.79 60.62 2joz h SER 5 Cb 0.00 -0.11 -0.23 0.00 0.14 0.00 0.00 62.40 62.20 2joz h SER 5 CO 0.00 1.52 0.30 -0.83 -1.14 0.00 0.00 176.83 176.67 2joz s GLY 6 N -5.21 -0.08 0.32 -3.77 0.00 -1.26 -5.04 107.32 92.28 2joz s GLY 6 Ca -0.13 3.15 0.04 0.00 0.00 0.00 0.00 44.72 47.77 2joz s GLY 6 CO 0.82 3.72 1.85 0.00 0.00 0.00 0.00 173.10 179.49 2joz s GLN 8 N -4.90 2.55 -0.30 0.00 -2.07 -1.26 -4.95 119.66 108.73 2joz s GLN 8 Ca -0.08 -1.23 0.01 0.00 -1.82 0.00 0.00 55.36 52.24 2joz s GLN 8 Cb 0.15 -3.41 0.31 0.00 -1.09 0.00 0.00 33.01 28.98 2joz s GLN 8 CO 0.77 -0.68 1.74 0.00 -1.32 0.00 0.00 175.29 175.80 2joz n GLN 9 N 4.76 1.79 0.08 9.60 0.00 -1.26 -4.34 117.38 128.01 2joz n GLN 9 Ca -0.12 -1.71 -0.03 0.00 0.00 0.00 0.00 57.00 55.14 2joz n GLN 9 Cb 0.44 -1.67 0.20 0.00 0.00 0.00 0.00 30.24 29.21 2joz n GLN 9 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.06 177.43 2joz h GLN 10 N 0.99 0.27 -4.88 2.61 4.15 -1.96 -3.39 115.11 112.91 2joz h GLN 10 Ca 0.34 -0.13 -0.65 0.00 0.77 0.00 0.00 58.65 58.98 2joz h GLN 10 Cb 1.52 0.00 -0.20 0.00 0.21 0.00 0.00 27.48 29.01 2joz h GLN 10 CO 0.72 0.66 -0.56 0.15 -1.93 0.00 0.00 178.83 177.87 2joz s LYS 11 N -4.11 3.69 -0.54 1.69 1.02 -1.26 -5.05 119.74 115.19 2joz s LYS 11 Ca -0.05 -0.48 0.04 0.00 0.02 0.00 0.00 55.97 55.50 2joz s LYS 11 Cb 0.13 -3.53 0.14 0.00 -0.52 0.00 0.00 37.83 34.04 2joz s LYS 11 CO 0.78 -0.25 0.29 -2.00 -0.92 0.00 0.00 175.35 173.25 2joz s GLU 12 N 1.68 1.99 0.00 1.68 2.56 -1.26 -4.85 118.70 120.50 2joz s GLU 12 Ca 0.06 -2.68 0.15 0.00 0.00 0.00 0.00 54.97 52.50 2joz s GLU 12 Cb -0.16 -3.25 0.09 0.00 2.00 0.00 0.00 34.13 32.82 2joz s GLU 12 CO 0.07 -1.14 0.94 0.39 -0.56 0.00 0.00 175.26 174.97 2joz n GLU 13 N 2.97 1.27 -1.67 4.30 4.71 -1.26 -5.02 120.64 125.94 2joz n GLU 13 Ca 0.08 -1.27 -0.43 0.00 -0.01 0.00 0.00 57.16 55.53 2joz n GLU 13 Cb 0.33 -1.28 -0.03 0.00 -1.01 0.00 0.00 31.44 29.45 2joz n GLU 13 CO 0.00 0.00 0.00 -2.37 0.09 0.00 0.00 177.13 174.85 2joz n THR 14 N 0.64 0.64 -2.51 2.62 5.66 -1.26 -4.92 114.28 115.14 2joz n THR 14 Ca 0.08 -0.11 -0.41 0.00 -3.05 0.00 0.00 64.05 60.56 2joz n THR 14 Cb 0.37 -2.23 -0.03 0.00 -1.55 0.00 0.00 70.33 66.88 2joz n THR 14 CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 175.07 169.18 2joz s PRO 15 N 3.90 3.22 0.53 1.09 0.02 -1.26 -4.88 135.00 137.62 2joz s PRO 15 Ca 0.87 -0.36 0.26 0.00 0.02 0.00 0.00 61.00 61.79 2joz s PRO 15 Cb -0.46 -4.44 1.50 0.00 0.02 0.00 0.00 34.50 31.12 2joz s PRO 15 CO 0.41 -2.22 2.12 0.27 -0.33 0.00 0.00 177.00 177.25 2joz h PHE 16 N 10.33 0.00 0.00 6.54 -0.00 -2.00 -2.37 116.94 129.44 2joz h PHE 16 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.79 2joz h PHE 16 Cb 1.05 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.00 2joz h PHE 16 CO 1.16 0.09 -0.27 0.10 -0.00 0.00 0.00 178.31 179.39 2joz h TYR 17 N 0.00 0.00 -3.60 6.09 -0.00 -2.01 -3.46 116.97 113.99 2joz h TYR 17 Ca -0.00 0.00 -0.51 0.00 -0.00 0.00 0.00 58.73 58.21 2joz h TYR 17 Cb 0.23 0.00 0.01 0.00 -0.00 0.00 0.00 36.73 36.97 2joz h TYR 17 CO 0.00 0.00 0.51 -0.47 -0.00 0.00 0.00 178.16 178.20 2joz s TYR 18 N -3.21 3.52 -2.54 0.10 5.04 -0.89 -4.75 117.35 114.62 2joz s TYR 18 Ca 0.06 1.56 0.00 0.00 -2.44 0.00 0.00 57.07 56.25 2joz s TYR 18 Cb 0.08 -3.34 0.00 0.00 0.35 0.00 0.00 41.96 39.05 2joz s TYR 18 CO 0.68 -0.84 0.00 0.41 -1.34 0.00 0.00 175.55 174.47 2joz n GLY 19 N 1.87 0.72 3.27 8.97 0.00 -1.25 -5.01 105.19 113.75 2joz n GLY 19 Ca 0.02 -2.04 -0.32 0.00 0.00 0.00 0.00 46.02 43.68 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 -1.61 2.42 -0.03 2.61 2.01 -1.26 -1.72 115.64 118.06 2joz s THR 20 Ca 0.00 -0.88 0.04 0.00 0.31 0.00 0.00 61.69 61.16 2joz s THR 20 Cb 0.00 -1.97 -0.03 0.00 0.01 0.00 0.00 72.50 70.51 2joz s THR 20 CO 0.00 0.54 -0.13 0.26 -0.69 0.00 0.00 174.62 174.60 2joz s TRP 21 N 0.44 2.72 -0.12 4.92 0.52 0.41 -0.60 118.94 127.24 2joz s TRP 21 Ca -0.14 -0.14 -0.02 0.00 0.02 0.00 0.00 56.10 55.82 2joz s TRP 21 Cb -0.17 -1.61 -0.03 0.00 -1.15 0.00 0.00 33.47 30.51 2joz s TRP 21 CO 0.06 0.23 -0.04 0.34 0.02 0.00 0.00 176.95 177.57 2joz s ASP 22 N -0.94 4.84 -0.55 2.95 2.15 -0.40 -0.46 116.67 124.27 2joz s ASP 22 Ca 0.13 -0.04 -0.02 0.00 0.43 0.00 0.00 52.55 53.05 2joz s ASP 22 Cb -0.11 -1.54 0.35 0.00 -0.30 0.00 0.00 42.92 41.33 2joz s ASP 22 CO 0.02 0.27 2.06 -0.62 -0.17 0.00 0.00 175.17 176.73 2joz n GLU 23 N 2.86 2.38 0.21 4.34 1.02 0.60 -3.19 120.64 128.85 2joz n GLU 23 Ca -0.18 -2.68 0.15 0.00 -0.02 0.00 0.00 57.16 54.43 2joz n GLU 23 Cb 0.53 -2.05 0.51 0.00 -0.02 0.00 0.00 31.44 30.41 2joz n GLU 23 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2joz h GLY 24 N 2.29 0.00 -4.53 0.62 0.00 -1.95 -3.39 103.07 96.11 2joz h GLY 24 Ca 0.49 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 47.24 2joz h GLY 24 CO 1.28 0.00 -0.14 -1.60 0.00 0.00 0.00 176.54 176.08 2joz s ARG 25 N -3.43 3.96 0.36 4.80 3.52 -1.26 -4.92 118.95 121.97 2joz s ARG 25 Ca 0.04 0.45 0.00 0.00 -0.13 0.00 0.00 55.73 56.09 2joz s ARG 25 Cb 0.09 -3.07 0.00 0.00 -1.56 0.00 0.00 34.95 30.40 2joz s ARG 25 CO 0.53 0.58 0.00 0.00 -0.81 0.00 0.00 175.30 175.60 2joz n ALA 26 N 1.25 -1.82 -1.83 6.12 0.00 -1.26 -4.85 120.51 118.11 2joz n ALA 26 Ca -0.09 0.43 -0.41 0.00 0.00 0.00 0.00 53.44 53.37 2joz n ALA 26 Cb 0.52 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.96 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 -4.25 4.21 0.00 0.00 0.02 -1.26 -5.02 135.00 128.70 2joz s PRO 27 Ca 0.00 2.41 0.00 0.00 0.02 0.00 0.00 61.00 63.43 2joz s PRO 27 Cb 0.00 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.44 2joz s PRO 27 CO 0.00 -0.50 0.00 0.41 -0.33 0.00 0.00 177.00 176.58 2joz n GLY 28 N 2.17 2.98 3.47 0.52 0.00 -1.25 -5.11 105.19 107.97 2joz n GLY 28 Ca 0.07 -1.95 -0.29 0.00 0.00 0.00 0.00 46.02 43.85 2joz n GLY 28 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2joz s PRO 29 N 3.05 -1.29 0.00 1.61 0.04 -1.26 -4.99 135.00 132.17 2joz s PRO 29 Ca 0.00 0.63 0.00 0.00 0.04 0.00 0.00 61.00 61.67 2joz s PRO 29 Cb 0.00 -1.53 0.00 0.00 0.04 0.00 0.00 34.50 33.01 2joz s PRO 29 CO 0.00 -3.91 0.09 -2.37 0.04 0.00 0.00 177.00 170.85 2joz n THR 30 N -5.02 0.00 -0.33 1.26 5.66 -1.24 -4.40 114.28 110.21 2joz n THR 30 Ca 0.05 -0.26 0.05 0.00 -3.05 0.00 0.00 64.05 60.84 2joz n THR 30 Cb 0.56 1.16 0.20 0.00 -1.55 0.00 0.00 70.33 70.70 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 0.81 0.00 1.09 1.82 -2.01 -3.45 116.42 114.67 2joz h ASP 31 Ca 0.00 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.69 2joz h ASP 31 Cb 0.08 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 39.98 2joz h ASP 31 CO 0.00 0.44 0.00 0.61 -1.61 0.00 0.00 179.24 178.68 2joz n GLY 32 N -1.33 1.26 3.74 -0.78 0.00 -1.26 -5.09 105.19 101.72 2joz n GLY 32 Ca 0.16 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 2.92 -0.21 1.61 1.01 -1.26 -4.24 120.40 120.23 2joz s VAL 33 Ca 0.00 0.76 0.09 0.00 0.00 0.00 0.00 61.98 62.83 2joz s VAL 33 Cb 0.00 -3.49 -0.13 0.00 0.00 0.00 0.00 36.38 32.77 2joz s VAL 33 CO 0.00 0.11 0.30 0.29 0.00 0.00 0.00 175.10 175.80 2joz n LYS 34 N 2.59 2.03 -3.52 2.72 5.02 -1.21 -3.63 118.16 122.15 2joz n LYS 34 Ca 0.07 -0.05 -0.12 0.00 -2.02 0.00 0.00 58.31 56.19 2joz n LYS 34 Cb 0.41 -1.09 -0.04 0.00 -0.02 0.00 0.00 35.03 34.30 2joz n LYS 34 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2joz s SER 35 N -2.52 -0.45 0.16 4.39 0.01 -1.26 -3.74 113.70 110.30 2joz s SER 35 Ca -0.00 -0.01 0.01 0.00 1.31 0.00 0.00 55.95 57.26 2joz s SER 35 Cb 0.07 0.53 -0.04 0.00 0.21 0.00 0.00 66.02 66.79 2joz s SER 35 CO 0.39 -0.86 0.02 0.00 0.41 0.00 0.00 173.24 173.20 2joz s ALA 36 N -3.33 1.23 -0.05 1.44 0.00 -1.26 -1.33 121.76 118.46 2joz s ALA 36 Ca -0.01 -1.57 0.02 0.00 0.00 0.00 0.00 51.96 50.41 2joz s ALA 36 Cb -0.00 0.63 0.01 0.00 0.00 0.00 0.00 23.12 23.77 2joz s ALA 36 CO -0.09 -0.36 -0.09 0.95 0.00 0.00 0.00 175.76 176.16 2joz s THR 37 N -3.76 0.89 -0.14 0.00 -4.23 0.11 -0.29 115.64 108.22 2joz s THR 37 Ca 0.24 -0.36 -0.02 0.00 -1.18 0.00 0.00 61.69 60.38 2joz s THR 37 Cb 0.06 -0.83 -0.02 0.00 1.34 0.00 0.00 72.50 73.05 2joz s THR 37 CO 0.04 0.29 -0.09 0.54 -0.54 0.00 0.00 174.62 174.86 2joz s VAL 38 N 0.62 3.42 -0.16 2.29 0.11 0.39 -0.70 120.40 126.37 2joz s VAL 38 Ca -0.11 -0.52 -0.01 0.00 -2.93 0.00 0.00 61.98 58.40 2joz s VAL 38 Cb -0.14 -2.47 -0.01 0.00 -1.53 0.00 0.00 36.38 32.23 2joz s VAL 38 CO 0.02 0.51 -0.12 -0.89 -3.33 0.00 0.00 175.10 171.29 2joz s THR 39 N 0.40 2.96 -0.31 5.04 2.01 0.37 -0.45 115.64 125.67 2joz s THR 39 Ca -0.07 -0.67 -0.11 0.00 0.31 0.00 0.00 61.69 61.15 2joz s THR 39 Cb -0.15 -2.27 -0.03 0.00 0.01 0.00 0.00 72.50 70.06 2joz s THR 39 CO 0.04 0.50 0.19 -0.36 -0.69 0.00 0.00 174.62 174.30 2joz s PHE 40 N 0.81 3.20 0.48 4.92 0.08 -0.70 -0.95 117.98 125.82 2joz s PHE 40 Ca -0.04 -0.21 0.07 0.00 0.12 0.00 0.00 56.93 56.87 2joz s PHE 40 Cb -0.15 -2.40 0.07 0.00 -0.57 0.00 0.00 43.02 39.97 2joz s PHE 40 CO 0.01 -0.32 0.61 0.25 -0.10 0.00 0.00 175.22 175.66 2joz n THR 41 N 5.05 0.00 -0.12 0.64 -2.24 -0.71 -3.97 114.28 112.94 2joz n THR 41 Ca -0.14 -1.64 -0.06 0.00 -2.27 0.00 0.00 64.05 59.95 2joz n THR 41 Cb 0.50 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 2joz n THR 41 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2joz h GLU 42 N 0.00 -0.17 0.00 -0.78 4.22 -2.03 -3.30 114.58 112.52 2joz h GLU 42 Ca -0.24 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.22 2joz h GLU 42 Cb 1.04 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2joz h GLU 42 CO 0.34 -0.12 0.00 -3.47 -2.18 0.00 0.00 179.01 173.59 2joz n ASP 43 N -5.40 0.49 -4.29 1.04 2.03 -1.26 -5.08 116.55 104.08 2joz n ASP 43 Ca 0.02 -1.24 -0.16 0.00 0.52 0.00 0.00 54.79 53.94 2joz n ASP 43 Cb 0.31 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.61 2joz n ASP 43 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2joz s GLU 44 N -0.24 1.22 -0.18 -0.67 8.01 -1.24 -2.73 118.70 122.87 2joz s GLU 44 Ca 0.00 -1.59 -0.01 0.00 0.01 0.00 0.00 54.97 53.38 2joz s GLU 44 Cb 0.00 -0.55 0.00 0.00 -4.31 0.00 0.00 34.13 29.28 2joz s GLU 44 CO 0.00 -0.06 -0.13 0.08 0.01 0.00 0.00 175.26 175.16 2joz s VAL 45 N -3.44 2.73 -0.21 2.63 1.01 0.18 -1.74 120.40 121.55 2joz s VAL 45 Ca 0.24 -0.72 -0.05 0.00 0.00 0.00 0.00 61.98 61.45 2joz s VAL 45 Cb 0.05 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.22 2joz s VAL 45 CO 0.06 0.49 -0.01 -0.69 0.00 0.00 0.00 175.10 174.95 2joz s VAL 46 N 1.15 3.81 -0.11 2.92 1.01 -0.13 -1.44 120.40 127.60 2joz s VAL 46 Ca 0.01 -0.36 -0.03 0.00 0.00 0.00 0.00 61.98 61.60 2joz s VAL 46 Cb -0.14 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 2joz s VAL 46 CO -0.05 0.42 0.01 -1.61 0.00 0.00 0.00 175.10 173.87 2joz s GLU 47 N 1.21 3.27 -0.07 2.72 2.02 -1.26 -0.48 118.70 126.11 2joz s GLU 47 Ca 0.03 -0.40 0.03 0.00 0.02 0.00 0.00 54.97 54.65 2joz s GLU 47 Cb -0.15 -2.90 0.01 0.00 0.10 0.00 0.00 34.13 31.19 2joz s GLU 47 CO 0.01 0.57 -0.16 0.99 0.02 0.00 0.00 175.26 176.69 2joz s THR 48 N -0.51 1.44 -0.10 3.63 2.01 0.12 -0.61 115.64 121.62 2joz s THR 48 Ca 0.09 -0.66 -0.00 0.00 0.31 0.00 0.00 61.69 61.42 2joz s THR 48 Cb -0.12 -1.27 -0.03 0.00 0.01 0.00 0.00 72.50 71.09 2joz s THR 48 CO 0.02 0.42 -0.06 -1.61 -0.69 0.00 0.00 174.62 172.70 2joz s GLU 49 N 0.49 3.05 -0.40 4.92 2.02 0.77 0.08 118.70 129.62 2joz s GLU 49 Ca -0.14 -0.55 -0.18 0.00 0.02 0.00 0.00 54.97 54.11 2joz s GLU 49 Cb -0.16 -2.68 0.01 0.00 0.10 0.00 0.00 34.13 31.40 2joz s GLU 49 CO 0.05 0.52 0.52 0.08 0.02 0.00 0.00 175.26 176.45 2joz s VAL 50 N -0.41 4.99 -0.24 2.63 1.01 -0.44 0.24 120.40 128.18 2joz s VAL 50 Ca 0.06 0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 2joz s VAL 50 Cb -0.12 -4.06 0.03 0.00 0.00 0.00 0.00 36.38 32.23 2joz s VAL 50 CO 0.02 -0.40 -0.09 -0.32 0.00 0.00 0.00 175.10 174.31 2joz s MET 51 N 2.42 2.79 -0.24 2.72 1.75 -0.28 -3.31 119.30 125.14 2joz s MET 51 Ca 0.17 -1.00 -0.29 0.00 -1.25 0.00 0.00 55.69 53.32 2joz s MET 51 Cb -0.16 -2.90 -0.02 0.00 2.84 0.00 0.00 34.83 34.59 2joz s MET 51 CO 0.15 -0.39 1.65 -2.00 -0.65 0.00 0.00 175.02 173.78 2joz s GLU 52 N 1.29 3.71 0.00 4.11 2.12 -1.26 -0.52 118.70 128.14 2joz s GLU 52 Ca -0.00 1.61 0.00 0.00 0.36 0.00 0.00 54.97 56.93 2joz s GLU 52 Cb -0.16 -4.07 0.00 0.00 0.26 0.00 0.00 34.13 30.16 2joz s GLU 52 CO -0.06 -1.40 0.00 0.41 -0.54 0.00 0.00 175.26 173.67 2joz n GLY 53 N 4.81 2.27 0.64 -1.50 0.00 -1.26 -4.89 105.19 105.26 2joz n GLY 53 Ca 0.19 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.26 0.20 0.00 1.61 5.12 -0.39 -5.16 116.66 117.78 2joz n ARG 54 Ca 0.00 0.08 0.00 0.00 -1.93 0.00 0.00 57.85 56.00 2joz n ARG 54 Cb 0.00 -0.82 0.00 0.00 -1.16 0.00 0.00 32.46 30.48 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 2.65 0.76 3.72 -0.13 0.00 0.32 -5.01 105.19 107.49 2joz n GLY 55 Ca -0.05 -2.03 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 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 -1.14 4.55 -0.20 1.61 8.01 -1.26 -1.12 118.70 129.15 2joz s GLU 56 Ca 0.00 1.53 -0.03 0.00 0.01 0.00 0.00 54.97 56.48 2joz s GLU 56 Cb 0.00 -3.41 -0.01 0.00 -4.31 0.00 0.00 34.13 26.41 2joz s GLU 56 CO 0.00 -0.05 -0.07 0.08 0.01 0.00 0.00 175.26 175.22 2joz s VAL 57 N 0.79 3.16 -0.13 2.63 1.01 0.14 -4.91 120.40 123.09 2joz s VAL 57 Ca 0.53 -0.57 -0.19 0.00 0.00 0.00 0.00 61.98 61.75 2joz s VAL 57 Cb -0.24 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 2joz s VAL 57 CO 0.29 0.45 0.50 -1.10 0.00 0.00 0.00 175.10 175.24 2joz s GLN 58 N 1.32 4.31 0.49 2.72 -0.21 -1.26 -0.16 119.66 126.87 2joz s GLN 58 Ca 0.04 0.47 -0.06 0.00 0.02 0.00 0.00 55.36 55.84 2joz s GLN 58 Cb -0.14 -3.47 -0.04 0.00 1.00 0.00 0.00 33.01 30.37 2joz s GLN 58 CO -0.04 0.08 0.80 -0.51 -2.12 0.00 0.00 175.29 173.50 2joz s LEU 59 N 0.87 3.61 0.22 2.90 1.43 0.22 -5.01 118.68 122.92 2joz s LEU 59 Ca 0.26 0.95 -0.31 0.00 -1.03 0.00 0.00 54.13 54.01 2joz s LEU 59 Cb -0.15 -3.91 -0.11 0.00 0.03 0.00 0.00 46.19 42.05 2joz s LEU 59 CO 0.11 -0.59 1.59 -2.16 0.23 0.00 0.00 176.35 175.52 2joz s PRO 60 N -4.75 4.18 0.12 1.29 0.04 -1.26 -4.48 135.00 130.15 2joz s PRO 60 Ca 0.48 2.45 -0.33 0.00 0.04 0.00 0.00 61.00 63.64 2joz s PRO 60 Cb -0.10 -3.10 -0.12 0.00 0.04 0.00 0.00 34.50 31.21 2joz s PRO 60 CO 0.45 -0.61 1.71 1.97 0.04 0.00 0.00 177.00 180.56 2joz n PHE 61 N 3.28 2.44 -4.04 0.56 -1.74 -1.26 -4.85 117.46 111.84 2joz n PHE 61 Ca 0.12 0.09 -0.34 0.00 -0.56 0.00 0.00 57.45 56.75 2joz n PHE 61 Cb 0.38 -2.63 -0.10 0.00 1.52 0.00 0.00 39.48 38.65 2joz n PHE 61 CO 0.00 0.00 0.00 -1.64 -0.56 0.00 0.00 176.76 174.56 2joz s MET 62 N 1.91 3.95 0.10 3.97 -1.94 -0.52 -4.88 119.30 121.88 2joz s MET 62 Ca 0.81 -0.36 -0.30 0.00 -1.71 0.00 0.00 55.69 54.13 2joz s MET 62 Cb -0.61 -3.18 -0.06 0.00 2.01 0.00 0.00 34.83 32.99 2joz s MET 62 CO 0.39 0.28 1.16 0.00 -0.01 0.00 0.00 175.02 176.83 2joz s ALA 63 N 0.35 3.37 0.07 3.03 0.00 -1.26 0.49 121.76 127.80 2joz s ALA 63 Ca 0.02 0.83 0.08 0.00 0.00 0.00 0.00 51.96 52.89 2joz s ALA 63 Cb -0.12 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.56 2joz s ALA 63 CO 0.00 -0.35 -0.21 1.52 0.00 0.00 0.00 175.76 176.72 2joz s TYR 64 N 0.59 1.85 0.20 0.00 1.13 -1.10 -1.85 117.35 118.16 2joz s TYR 64 Ca 0.55 -0.39 0.11 0.00 -1.41 0.00 0.00 57.07 55.93 2joz s TYR 64 Cb -0.29 -1.07 -0.04 0.00 -1.10 0.00 0.00 41.96 39.46 2joz s TYR 64 CO 0.31 0.14 -0.21 0.15 -2.51 0.00 0.00 175.55 173.43 2joz s LYS 65 N -1.46 1.46 -0.34 -3.49 -0.14 0.62 -4.74 119.74 111.65 2joz s LYS 65 Ca 0.08 -1.53 -0.16 0.00 -1.36 0.00 0.00 55.97 53.00 2joz s LYS 65 Cb -0.09 -1.66 -0.01 0.00 -1.68 0.00 0.00 37.83 34.39 2joz s LYS 65 CO 0.03 0.34 0.39 0.08 -0.76 0.00 0.00 175.35 175.43 2joz s VAL 66 N -1.93 5.14 -0.14 3.17 1.01 -1.26 -0.33 120.40 126.06 2joz s VAL 66 Ca 0.21 0.10 -0.17 0.00 0.00 0.00 0.00 61.98 62.12 2joz s VAL 66 Cb -0.07 -3.85 -0.15 0.00 0.00 0.00 0.00 36.38 32.32 2joz s VAL 66 CO 0.09 -0.11 0.38 0.40 0.00 0.00 0.00 175.10 175.86 2joz h ILE 67 N 5.55 0.97 -3.94 2.22 2.04 -1.08 -3.48 117.51 119.79 2joz h ILE 67 Ca -0.29 -1.79 -0.25 0.00 1.00 0.00 0.00 64.86 63.53 2joz h ILE 67 Cb 1.14 1.90 -0.19 0.00 -0.74 0.00 0.00 36.82 38.93 2joz h ILE 67 CO 0.71 0.33 -0.72 -0.44 0.00 0.00 0.00 178.15 178.03 2joz s SER 68 N -6.04 0.87 0.00 1.72 0.01 -0.80 -4.99 113.70 104.47 2joz s SER 68 Ca -0.14 -0.69 -0.13 0.00 1.31 0.00 0.00 55.95 56.31 2joz s SER 68 Cb -0.01 0.06 0.02 0.00 0.21 0.00 0.00 66.02 66.30 2joz s SER 68 CO 0.42 -0.30 0.26 -1.58 0.41 0.00 0.00 173.24 172.45 2joz s GLN 69 N -2.28 0.64 -0.05 12.44 0.74 -1.26 0.03 119.66 129.93 2joz s GLN 69 Ca -0.04 -0.31 -0.04 0.00 0.05 0.00 0.00 55.36 55.02 2joz s GLN 69 Cb -0.05 0.28 0.01 0.00 1.10 0.00 0.00 33.01 34.35 2joz s GLN 69 CO -0.02 -0.18 0.13 0.45 -0.55 0.00 0.00 175.29 175.13 2joz s SER 70 N -1.48 -0.13 0.44 6.67 0.15 -0.11 -4.97 113.70 114.27 2joz s SER 70 Ca -0.12 0.26 0.30 0.00 0.70 0.00 0.00 55.95 57.09 2joz s SER 70 Cb -0.05 0.26 1.29 0.00 -1.71 0.00 0.00 66.02 65.80 2joz s SER 70 CO 0.02 -0.05 1.89 0.71 1.20 0.00 0.00 173.24 177.01 2joz h THR 71 N 5.05 0.00 -0.34 6.45 1.35 -2.00 -3.14 112.91 120.28 2joz h THR 71 Ca -0.27 -0.35 -0.04 0.00 -0.55 0.00 0.00 66.41 65.21 2joz h THR 71 Cb 1.20 1.22 -0.01 0.00 -1.73 0.00 0.00 68.15 68.82 2joz h THR 71 CO 0.43 0.00 0.05 -0.78 -0.25 0.00 0.00 175.52 174.97 2joz h ASP 72 N 0.00 0.55 0.00 5.36 3.58 -2.01 -3.47 116.42 120.44 2joz h ASP 72 Ca 0.00 -0.26 0.00 0.00 0.42 0.00 0.00 57.03 57.19 2joz h ASP 72 Cb 0.40 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.30 2joz h ASP 72 CO 0.00 0.67 0.00 0.61 -2.88 0.00 0.00 179.24 177.64 2joz n GLY 73 N -0.48 0.14 2.89 -0.78 0.00 -1.19 -4.99 105.19 100.79 2joz n GLY 73 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 2joz n GLY 73 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2joz s SER 74 N -0.14 0.82 -0.01 1.61 1.04 -1.25 -1.63 113.70 114.13 2joz s SER 74 Ca 0.00 -0.11 0.02 0.00 0.48 0.00 0.00 55.95 56.34 2joz s SER 74 Cb 0.00 -0.36 0.00 0.00 0.10 0.00 0.00 66.02 65.76 2joz s SER 74 CO 0.00 -0.04 -0.05 -0.63 0.98 0.00 0.00 173.24 173.50 2joz s ILE 75 N 0.76 0.47 -0.16 -1.02 1.01 0.20 -0.93 121.20 121.52 2joz s ILE 75 Ca -0.10 -0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.34 2joz s ILE 75 Cb -0.13 -0.42 0.00 0.00 0.01 0.00 0.00 42.46 41.92 2joz s ILE 75 CO -0.00 0.15 -0.17 -0.70 0.00 0.00 0.00 174.94 174.22 2joz s GLU 76 N 0.11 3.14 0.12 2.79 2.12 0.10 -0.09 118.70 127.00 2joz s GLU 76 Ca -0.01 -0.78 0.04 0.00 0.36 0.00 0.00 54.97 54.58 2joz s GLU 76 Cb -0.05 -2.61 -0.04 0.00 0.26 0.00 0.00 34.13 31.69 2joz s GLU 76 CO -0.00 -0.06 -0.10 0.96 -0.54 0.00 0.00 175.26 175.52 2joz s ILE 77 N 0.98 1.03 0.00 -3.70 -4.36 -0.68 -0.43 121.20 114.06 2joz s ILE 77 Ca -0.02 -1.91 0.00 0.00 -0.26 0.00 0.00 60.65 58.46 2joz s ILE 77 Cb -0.15 -1.68 -0.01 0.00 1.25 0.00 0.00 42.46 41.88 2joz s ILE 77 CO -0.04 -0.70 -0.01 -1.58 0.24 0.00 0.00 174.94 172.84 2joz s GLN 78 N -3.46 0.13 1.07 0.37 0.74 0.55 0.76 119.66 119.81 2joz s GLN 78 Ca 0.13 -0.16 -0.16 0.00 0.05 0.00 0.00 55.36 55.22 2joz s GLN 78 Cb 0.01 -0.04 0.22 0.00 1.10 0.00 0.00 33.01 34.31 2joz s GLN 78 CO -0.00 0.01 1.13 0.71 -0.55 0.00 0.00 175.29 176.58 2joz s TYR 79 N -0.33 1.42 0.39 1.67 1.51 -1.21 -0.28 117.35 120.52 2joz s TYR 79 Ca -0.03 0.67 0.04 0.00 -1.01 0.00 0.00 57.07 56.74 2joz s TYR 79 Cb -0.02 -3.46 -0.04 0.00 -0.11 0.00 0.00 41.96 38.32 2joz s TYR 79 CO -0.00 -3.21 0.08 -0.51 -1.11 0.00 0.00 175.55 170.80 2joz s LEU 80 N -6.54 2.12 0.00 -1.29 1.43 -0.77 -3.91 118.68 109.72 2joz s LEU 80 Ca 0.68 -1.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.24 2joz s LEU 80 Cb -0.13 -0.31 0.00 0.00 0.03 0.00 0.00 46.19 45.79 2joz s LEU 80 CO 0.56 -0.78 0.00 0.61 0.23 0.00 0.00 176.35 176.97 2joz n GLY 81 N -0.86 -0.70 0.00 -3.19 0.00 -1.26 -3.61 105.19 95.57 2joz n GLY 81 Ca -0.06 -1.24 0.03 0.00 0.00 0.00 0.00 46.02 44.75 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 0.01 -0.83 1.61 -0.02 -1.26 -2.01 135.00 132.50 2joz n PRO 82 Ca 0.00 0.37 0.06 0.00 -2.02 0.00 0.00 63.50 61.91 2joz n PRO 82 Cb 0.00 -1.50 0.37 0.00 -0.02 0.00 0.00 33.50 32.35 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 -1.47 1.91 0.95 6.00 4.01 -1.24 -4.51 117.16 122.80 2joz n TYR 83 Ca 0.02 -0.81 0.12 0.00 -0.16 0.00 0.00 57.90 57.06 2joz n TYR 83 Cb 0.07 -0.50 0.28 0.00 -0.31 0.00 0.00 39.34 38.89 2joz n TYR 83 CO 0.00 0.00 0.00 2.48 -0.46 0.00 0.00 176.86 178.88 2joz n TYR 84 N 0.31 0.20 1.17 -0.72 4.11 -0.85 -2.99 117.16 118.39 2joz n TYR 84 Ca 0.28 -0.10 0.12 0.00 -0.00 0.00 0.00 57.90 58.20 2joz n TYR 84 Cb 1.16 0.00 0.24 0.00 -0.00 0.00 0.00 39.34 40.75 2joz n TYR 84 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.86 176.51 2joz n PRO 85 N 0.91 1.04 -3.51 -3.48 -0.04 -1.26 -4.81 135.00 123.85 2joz n PRO 85 Ca 0.17 -0.73 -0.42 0.00 -0.04 0.00 0.00 63.50 62.49 2joz n PRO 85 Cb 0.49 -1.48 -0.10 0.00 -0.04 0.00 0.00 33.50 32.36 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 -2.46 4.82 0.43 1.53 2.96 -1.16 -5.08 118.68 119.72 2joz s LEU 86 Ca 0.23 -0.74 0.08 0.00 -0.22 0.00 0.00 54.13 53.48 2joz s LEU 86 Cb 0.19 -2.13 0.01 0.00 0.50 0.00 0.00 46.19 44.77 2joz s LEU 86 CO 0.52 -0.36 0.58 -1.59 -1.32 0.00 0.00 176.35 174.19 2joz s LYS 87 N 1.67 2.81 0.15 1.98 -2.85 -1.26 -3.30 119.74 118.93 2joz s LYS 87 Ca 0.05 -1.24 0.05 0.00 -1.00 0.00 0.00 55.97 53.83 2joz s LYS 87 Cb -0.18 -2.75 -0.04 0.00 -2.06 0.00 0.00 37.83 32.79 2joz s LYS 87 CO 0.09 -0.30 -0.12 0.45 0.10 0.00 0.00 175.35 175.58 2joz s SER 88 N -4.36 1.94 0.01 0.03 0.15 0.23 -4.52 113.70 107.17 2joz s SER 88 Ca 0.55 -0.95 0.05 0.00 0.70 0.00 0.00 55.95 56.30 2joz s SER 88 Cb -0.10 -0.04 -0.02 0.00 -1.71 0.00 0.00 66.02 64.15 2joz s SER 88 CO 0.33 -0.25 -0.15 -0.89 1.20 0.00 0.00 173.24 173.48 2joz s THR 89 N -2.90 1.16 -0.14 6.45 2.01 -0.09 -1.68 115.64 120.44 2joz s THR 89 Ca 0.15 -0.77 0.02 0.00 0.31 0.00 0.00 61.69 61.40 2joz s THR 89 Cb -0.00 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.52 2joz s THR 89 CO 0.02 0.22 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.21 2joz s LEU 90 N -0.63 2.03 0.11 4.42 1.43 0.87 0.20 118.68 127.10 2joz s LEU 90 Ca 0.05 -0.58 0.04 0.00 -1.03 0.00 0.00 54.13 52.61 2joz s LEU 90 Cb -0.06 -1.38 -0.04 0.00 0.03 0.00 0.00 46.19 44.74 2joz s LEU 90 CO 0.00 0.04 -0.11 -0.54 0.23 0.00 0.00 176.35 175.97 2joz s LYS 91 N 0.99 0.90 0.39 1.70 1.02 0.63 -0.63 119.74 124.74 2joz s LYS 91 Ca -0.03 -1.19 -0.14 0.00 0.02 0.00 0.00 55.97 54.62 2joz s LYS 91 Cb -0.15 -0.63 -0.08 0.00 -0.52 0.00 0.00 37.83 36.45 2joz s LYS 91 CO -0.05 0.10 0.80 -0.98 -0.92 0.00 0.00 175.35 174.31 2joz s ARG 92 N -2.80 3.93 0.00 1.68 1.70 -0.65 0.35 118.95 123.16 2joz s ARG 92 Ca 0.07 0.67 0.00 0.00 -0.47 0.00 0.00 55.73 56.00 2joz s ARG 92 Cb -0.03 -2.35 0.00 0.00 -0.57 0.00 0.00 34.95 32.00 2joz s ARG 92 CO 0.01 0.01 0.00 0.41 -1.08 0.00 0.00 175.30 174.65 2joz n GLY 93 N -0.90 0.80 0.08 3.88 0.00 -0.22 -4.71 105.19 104.13 2joz n GLY 93 Ca 0.04 -1.78 -0.05 0.00 0.00 0.00 0.00 46.02 44.23 2joz n GLY 93 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2joz h GLU 94 N 0.00 0.00 0.00 1.61 4.81 -1.99 -3.47 114.58 115.54 2joz h GLU 94 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2joz h GLU 94 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2joz h GLU 94 CO 0.00 0.72 0.00 0.09 -0.73 0.00 0.00 179.01 179.09 2joz n ASN 95 N -3.21 0.92 -2.55 1.04 3.02 -1.26 -4.99 115.26 108.22 2joz n ASN 95 Ca -0.04 -0.51 -0.24 0.00 -0.03 0.00 0.00 54.58 53.75 2joz n ASN 95 Cb 0.92 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.98 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 5.00 3.60 3.50 7.41 0.00 -1.26 -4.86 105.19 118.58 2joz n GLY 96 Ca 0.00 -1.38 -0.27 0.00 0.00 0.00 0.00 46.02 44.37 2joz n GLY 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2joz s THR 97 N 1.19 2.76 -0.18 2.61 -4.23 -1.26 -5.00 115.64 111.53 2joz s THR 97 Ca 0.67 -1.87 -0.06 0.00 -1.18 0.00 0.00 61.69 59.25 2joz s THR 97 Cb 0.27 -2.35 -0.03 0.00 1.34 0.00 0.00 72.50 71.73 2joz s THR 97 CO -0.04 -0.13 0.01 -0.22 -0.54 0.00 0.00 174.62 173.71 2joz s LEU 98 N -2.79 3.45 -0.41 4.79 2.96 -1.26 -1.05 118.68 124.37 2joz s LEU 98 Ca 0.23 -0.08 -0.15 0.00 -0.22 0.00 0.00 54.13 53.90 2joz s LEU 98 Cb -0.08 -1.86 0.02 0.00 0.50 0.00 0.00 46.19 44.76 2joz s LEU 98 CO 0.13 0.13 0.32 -0.63 -1.32 0.00 0.00 176.35 174.98 2joz s ILE 99 N 0.62 5.23 -0.32 6.68 1.01 0.15 -3.16 121.20 131.41 2joz s ILE 99 Ca 0.00 -0.57 -0.11 0.00 0.00 0.00 0.00 60.65 59.97 2joz s ILE 99 Cb -0.14 -3.94 -0.01 0.00 0.01 0.00 0.00 42.46 38.38 2joz s ILE 99 CO 0.02 -0.32 0.19 0.86 0.00 0.00 0.00 174.94 175.69 2joz s TRP 100 N 1.77 3.20 -0.18 3.97 -0.00 0.48 -0.27 118.94 127.92 2joz s TRP 100 Ca 0.06 -0.38 -0.11 0.00 -0.00 0.00 0.00 56.10 55.68 2joz s TRP 100 Cb -0.19 -2.40 -0.05 0.00 -0.00 0.00 0.00 33.47 30.84 2joz s TRP 100 CO 0.11 -0.39 0.19 -1.21 -0.00 0.00 0.00 176.95 175.64 2joz s GLU 101 N 1.67 4.19 -0.20 5.86 2.02 0.13 -1.56 118.70 130.81 2joz s GLU 101 Ca 0.05 -0.11 -0.12 0.00 0.02 0.00 0.00 54.97 54.81 2joz s GLU 101 Cb -0.17 -3.41 0.06 0.00 0.10 0.00 0.00 34.13 30.71 2joz s GLU 101 CO 0.08 0.30 0.49 -1.14 0.02 0.00 0.00 175.26 175.00 2joz s GLN 102 N 0.35 0.50 -0.15 1.61 -0.44 -0.77 -0.91 119.66 119.84 2joz s GLN 102 Ca 0.11 0.86 0.00 0.00 -2.50 0.00 0.00 55.36 53.83 2joz s GLN 102 Cb -0.12 0.07 0.00 0.00 -1.64 0.00 0.00 33.01 31.33 2joz s GLN 102 CO 0.00 -0.14 0.00 -1.71 0.50 0.00 0.00 175.29 173.94 2joz n ASN 103 N 3.97 -4.97 0.00 6.67 2.85 -1.26 -0.56 115.26 121.96 2joz n ASN 103 Ca -0.21 0.03 0.00 0.00 -0.11 0.00 0.00 54.58 54.30 2joz n ASN 103 Cb 0.56 -2.59 0.00 0.00 1.24 0.00 0.00 39.78 38.99 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 -0.43 0.61 3.81 8.20 0.00 -1.26 -5.08 105.19 111.05 2joz n GLY 104 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.95 3.90 -0.36 1.61 -0.21 0.28 -5.06 119.66 118.86 2joz s GLN 105 Ca 0.00 0.17 -0.14 0.00 0.02 0.00 0.00 55.36 55.41 2joz s GLN 105 Cb 0.00 -3.28 -0.01 0.00 1.00 0.00 0.00 33.01 30.72 2joz s GLN 105 CO 0.00 0.57 0.29 0.50 -2.12 0.00 0.00 175.29 174.53 2joz s ARG 106 N -0.56 3.39 -0.04 2.91 3.52 -1.26 -1.85 118.95 125.06 2joz s ARG 106 Ca 0.19 -0.67 0.07 0.00 -0.13 0.00 0.00 55.73 55.20 2joz s ARG 106 Cb -0.14 -3.85 -0.02 0.00 -1.56 0.00 0.00 34.95 29.38 2joz s ARG 106 CO 0.08 -0.54 -0.26 0.15 -0.81 0.00 0.00 175.30 173.92 2joz s LYS 107 N 1.81 2.31 -0.14 5.12 -0.14 -0.60 -4.99 119.74 123.10 2joz s LYS 107 Ca 0.08 -0.92 0.02 0.00 -1.36 0.00 0.00 55.97 53.79 2joz s LYS 107 Cb -0.17 -2.10 0.01 0.00 -1.68 0.00 0.00 37.83 33.89 2joz s LYS 107 CO 0.11 0.48 -0.22 -0.08 -0.76 0.00 0.00 175.35 174.88 2joz s THR 108 N -0.41 2.07 0.22 2.17 -1.32 -1.26 -0.38 115.64 116.73 2joz s THR 108 Ca 0.04 -0.97 0.08 0.00 -1.21 0.00 0.00 61.69 59.63 2joz s THR 108 Cb -0.12 -1.83 -0.05 0.00 -1.51 0.00 0.00 72.50 68.99 2joz s THR 108 CO 0.01 0.55 -0.14 -0.04 -2.21 0.00 0.00 174.62 172.79 2joz s MET 109 N 0.87 1.40 -0.03 7.08 -1.94 -1.19 -4.79 119.30 120.69 2joz s MET 109 Ca -0.06 -1.64 -0.10 0.00 -1.71 0.00 0.00 55.69 52.18 2joz s MET 109 Cb -0.15 -1.20 -0.05 0.00 2.01 0.00 0.00 34.83 35.44 2joz s MET 109 CO -0.03 0.18 0.29 0.95 -0.01 0.00 0.00 175.02 176.40 2joz s THR 110 N -2.93 5.24 -0.12 2.05 -4.23 -1.19 -4.38 115.64 110.08 2joz s THR 110 Ca 0.24 0.49 -0.28 0.00 -1.18 0.00 0.00 61.69 60.96 2joz s THR 110 Cb -0.01 -3.57 -0.01 0.00 1.34 0.00 0.00 72.50 70.25 2joz s THR 110 CO 0.08 0.54 0.95 -0.60 -0.54 0.00 0.00 174.62 175.05 2joz s ARG 111 N -1.23 4.39 0.40 3.99 3.52 -1.26 -1.27 118.95 127.49 2joz s ARG 111 Ca 0.22 1.27 -0.23 0.00 -0.13 0.00 0.00 55.73 56.86 2joz s ARG 111 Cb -0.14 -3.55 -0.10 0.00 -1.56 0.00 0.00 34.95 29.60 2joz s ARG 111 CO 0.11 -0.31 0.99 0.42 -0.81 0.00 0.00 175.30 175.70 2joz s ILE 112 N 2.02 4.07 -0.23 4.11 -1.09 0.23 -4.95 121.20 125.36 2joz s ILE 112 Ca 0.45 1.48 -0.10 0.00 -2.23 0.00 0.00 60.65 60.25 2joz s ILE 112 Cb -0.18 -3.71 -0.05 0.00 -1.58 0.00 0.00 42.46 36.94 2joz s ILE 112 CO 0.16 -0.09 0.14 -0.70 -1.23 0.00 0.00 174.94 173.22 2joz s GLU 113 N -2.69 4.05 -0.46 2.79 2.12 -1.26 -4.55 118.70 118.69 2joz s GLU 113 Ca 0.58 -0.28 -0.10 0.00 0.36 0.00 0.00 54.97 55.53 2joz s GLU 113 Cb -0.16 -3.48 0.11 0.00 0.26 0.00 0.00 34.13 30.86 2joz s GLU 113 CO 0.21 0.09 0.34 -1.12 -0.54 0.00 0.00 175.26 174.24 2joz s SER 114 N 0.95 5.73 -0.37 -1.70 0.01 -1.26 -5.05 113.70 112.01 2joz s SER 114 Ca 0.07 -1.78 -0.20 0.00 1.31 0.00 0.00 55.95 55.35 2joz s SER 114 Cb -0.13 -2.02 0.00 0.00 0.21 0.00 0.00 66.02 64.08 2joz s SER 114 CO 0.03 -0.66 0.61 -0.75 0.41 0.00 0.00 173.24 172.88 2joz s LYS 115 N 1.40 3.60 0.16 12.44 2.36 -1.26 -5.05 119.74 133.39 2joz s LYS 115 Ca 0.05 -0.07 0.04 0.00 -2.55 0.00 0.00 55.97 53.44 2joz s LYS 115 Cb -0.26 -3.83 -0.04 0.00 -1.05 0.00 0.00 37.83 32.65 2joz s LYS 115 CO 0.00 -0.76 0.19 0.99 1.55 0.00 0.00 175.35 177.33 2joz s THR 116 N 2.65 4.78 -0.29 3.43 2.01 -1.26 -5.12 115.64 121.84 2joz s THR 116 Ca 0.23 -0.96 -0.17 0.00 0.31 0.00 0.00 61.69 61.10 2joz s THR 116 Cb -0.15 -3.46 0.15 0.00 0.01 0.00 0.00 72.50 69.05 2joz s THR 116 CO 0.15 -0.12 1.00 -0.83 -0.69 0.00 0.00 174.62 174.14 2joz s GLY 117 N -3.20 0.04 -0.43 4.40 0.00 -1.26 -5.11 107.32 101.76 2joz s GLY 117 Ca 0.32 3.18 0.05 0.00 0.00 0.00 0.00 44.72 48.27 2joz s GLY 117 CO 0.25 2.56 0.51 -1.60 0.00 0.00 0.00 173.10 174.82 2joz s ARG 118 N 1.25 0.87 -0.57 2.90 3.00 -1.26 -5.08 118.95 120.05 2joz s ARG 118 Ca -0.08 -1.18 0.04 0.00 -1.00 0.00 0.00 55.73 53.51 2joz s ARG 118 Cb -0.04 -0.59 0.14 0.00 0.00 0.00 0.00 34.95 34.47 2joz s ARG 118 CO -0.14 -1.29 0.33 -2.00 0.00 0.00 0.00 175.30 172.20 2joz s GLU 119 N 0.95 2.13 0.43 5.12 -6.30 -1.26 -5.03 118.70 114.73 2joz s GLU 119 Ca 0.25 -2.81 0.00 0.00 -2.50 0.00 0.00 54.97 49.91 2joz s GLU 119 Cb -0.04 -3.37 0.00 0.00 0.00 0.00 0.00 34.13 30.72 2joz s GLU 119 CO -0.08 -1.16 0.00 -1.91 0.02 0.00 0.00 175.26 172.13 2joz n GLU 120 N 2.83 -2.94 -3.64 4.30 4.07 -1.26 -5.08 120.64 118.92 2joz n GLU 120 Ca 0.09 2.29 -0.09 0.00 -0.06 0.00 0.00 57.16 59.38 2joz n GLU 120 Cb 0.33 -2.88 -0.07 0.00 -0.06 0.00 0.00 31.44 28.76 2joz n GLU 120 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 2joz s LYS 121 N -4.98 0.55 0.99 5.31 2.20 -1.26 -5.17 119.74 117.37 2joz s LYS 121 Ca 0.00 0.69 -0.12 0.00 -0.36 0.00 0.00 55.97 56.18 2joz s LYS 121 Cb 0.00 0.25 0.18 0.00 -1.51 0.00 0.00 37.83 36.75 2joz s LYS 121 CO 0.00 -0.07 1.09 0.16 -0.36 0.00 0.00 175.35 176.16 2joz s ASP 122 N 0.41 2.69 0.00 1.43 -4.77 -1.26 -5.04 116.67 110.13 2joz s ASP 122 Ca 0.01 1.34 0.00 0.00 -3.30 0.00 0.00 52.55 50.60 2joz s ASP 122 Cb -0.05 -2.01 0.00 0.00 -1.09 0.00 0.00 42.92 39.77 2joz s ASP 122 CO -0.06 -3.11 0.00 -0.62 0.70 0.00 0.00 175.17 172.08 2joz n GLU 123 N -4.18 0.00 -3.88 2.11 1.02 -1.26 -4.87 120.64 109.58 2joz n GLU 123 Ca 0.06 0.27 -0.36 0.00 -0.02 0.00 0.00 57.16 57.11 2joz n GLU 123 Cb 0.56 -0.75 -0.14 0.00 -0.02 0.00 0.00 31.44 31.09 2joz n GLU 123 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2joz s LYS 124 N -0.56 2.76 -0.26 3.49 1.02 -1.26 -5.03 119.74 119.90 2joz s LYS 124 Ca 0.00 -1.05 -0.04 0.00 0.02 0.00 0.00 55.97 54.90 2joz s LYS 124 Cb 0.00 -3.17 0.09 0.00 -0.52 0.00 0.00 37.83 34.23 2joz s LYS 124 CO 0.00 -0.50 0.13 -1.12 -0.92 0.00 0.00 175.35 172.95 2joz s SER 125 N 1.35 3.06 0.32 2.83 0.01 -1.26 -5.01 113.70 115.00 2joz s SER 125 Ca -0.01 -1.06 0.20 0.00 1.31 0.00 0.00 55.95 56.40 2joz s SER 125 Cb -0.18 -0.24 0.16 0.00 0.21 0.00 0.00 66.02 65.96 2joz s SER 125 CO -0.01 -0.41 1.38 0.50 0.41 0.00 0.00 173.24 175.11 2joz h LYS 126 N 8.40 0.00 -4.86 12.44 3.11 -2.04 -3.39 116.57 130.23 2joz h LYS 126 Ca -0.18 0.00 -0.62 0.00 -2.81 0.00 0.00 60.65 57.03 2joz h LYS 126 Cb 1.05 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.25 2joz h LYS 126 CO 0.39 0.16 2.34 0.45 -2.81 0.00 0.00 179.45 179.98 2joz n SER 127 N -3.03 3.69 -2.20 4.20 2.88 -1.26 -4.62 113.62 113.28 2joz n SER 127 Ca 0.01 -2.80 -0.30 0.00 -1.33 0.00 0.00 58.87 54.45 2joz n SER 127 Cb 0.62 -1.57 0.09 0.00 -0.75 0.00 0.00 64.21 62.60 2joz n SER 127 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2joz n LEU 128 N 8.48 6.91 -4.56 2.46 4.77 -1.26 -4.96 117.00 128.84 2joz n LEU 128 Ca 0.49 -4.28 -0.41 0.00 -0.03 0.00 0.00 56.01 51.79 2joz n LEU 128 Cb 0.42 -0.83 -0.03 0.00 -2.33 0.00 0.00 43.42 40.66 2joz n LEU 128 CO 0.86 1.54 1.29 -1.83 -1.33 0.00 0.00 177.39 177.92 2joz s GLU 129 N -3.70 3.09 -0.07 3.23 -1.05 -1.26 -4.98 118.70 113.97 2joz s GLU 129 Ca 0.60 0.13 0.04 0.00 -0.15 0.00 0.00 54.97 55.59 2joz s GLU 129 Cb 0.48 -4.21 -0.02 0.00 -0.44 0.00 0.00 34.13 29.94 2joz s GLU 129 CO 0.01 -2.22 -0.17 -1.58 0.95 0.00 0.00 175.26 172.25 2joz s HIS 130 N 6.56 2.65 0.80 4.83 2.46 -1.26 -5.13 115.29 126.20 2joz s HIS 130 Ca 0.47 -0.37 -0.04 0.00 0.47 0.00 0.00 55.06 55.58 2joz s HIS 130 Cb -0.10 -1.66 0.16 0.00 -0.13 0.00 0.00 32.58 30.85 2joz s HIS 130 CO 0.19 0.02 1.09 -1.01 -2.47 0.00 0.00 174.74 172.56 2joz s HIS 131 N -0.40 1.32 0.03 3.88 3.76 -1.26 -5.13 115.29 117.48 2joz s HIS 131 Ca 0.04 -0.24 -0.06 0.00 -0.15 0.00 0.00 55.06 54.65 2joz s HIS 131 Cb -0.12 -3.25 -0.01 0.00 1.11 0.00 0.00 32.58 30.31 2joz s HIS 131 CO 0.02 -2.04 0.11 -3.38 -0.85 0.00 0.00 174.74 168.60 2joz s HIS 132 N -3.34 0.14 -0.17 1.40 -3.43 -1.26 -5.16 115.29 103.46 2joz s HIS 132 Ca 0.70 -0.36 -0.07 0.00 -0.80 0.00 0.00 55.06 54.53 2joz s HIS 132 Cb -0.04 -0.10 0.08 0.00 -1.43 0.00 0.00 32.58 31.08 2joz s HIS 132 CO 0.47 -0.34 0.37 -1.58 -2.00 0.00 0.00 174.74 171.66 2joz s HIS 133 N -2.15 -0.64 -0.30 0.38 2.46 -1.26 -5.13 115.29 108.65 2joz s HIS 133 Ca -0.09 1.30 -0.08 0.00 0.47 0.00 0.00 55.06 56.66 2joz s HIS 133 Cb -0.04 0.20 0.14 0.00 -0.13 0.00 0.00 32.58 32.75 2joz s HIS 133 CO -0.02 -0.41 0.65 -1.58 -2.47 0.00 0.00 174.74 170.91 2joz s HIS 134 N 2.26 -1.38 0.00 3.88 5.04 -1.26 -5.38 115.29 118.45 2joz s HIS 134 Ca -0.03 2.17 0.00 0.00 -1.54 0.00 0.00 55.06 55.66 2joz s HIS 134 Cb -0.11 0.75 0.00 0.00 0.04 0.00 0.00 32.58 33.25 2joz s HIS 134 CO -0.11 -0.70 0.00 1.58 -2.34 0.00 0.00 174.74 173.17