#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2joz s ILE 2 N 0.00 0.28 -0.07 1.12 -4.36 -1.26 -5.11 121.20 111.80 2joz s ILE 2 Ca 0.00 -1.71 -0.30 0.00 -0.26 0.00 0.00 60.65 58.39 2joz s ILE 2 Cb 0.00 -1.22 -0.06 0.00 1.25 0.00 0.00 42.46 42.44 2joz s ILE 2 CO 0.00 -0.95 1.72 -0.32 0.24 0.00 0.00 174.94 175.64 2joz s MET 3 N 1.10 4.06 0.11 0.37 1.75 -1.26 -4.98 119.30 120.46 2joz s MET 3 Ca 0.17 2.16 0.07 0.00 -1.25 0.00 0.00 55.69 56.84 2joz s MET 3 Cb -0.22 -4.04 -0.04 0.00 2.84 0.00 0.00 34.83 33.37 2joz s MET 3 CO -0.03 -0.99 -0.18 0.14 -0.65 0.00 0.00 175.02 173.31 2joz s VAL 4 N 4.49 1.52 0.01 10.11 -7.23 -1.26 -5.15 120.40 122.90 2joz s VAL 4 Ca 0.77 -1.60 -0.10 0.00 -1.81 0.00 0.00 61.98 59.24 2joz s VAL 4 Cb -0.33 -1.50 0.01 0.00 0.56 0.00 0.00 36.38 35.11 2joz s VAL 4 CO 0.32 -0.22 0.20 -0.94 -0.31 0.00 0.00 175.10 174.15 2joz s SER 5 N -2.13 -0.04 0.00 4.85 1.04 -1.26 -4.69 113.70 111.47 2joz s SER 5 Ca 0.07 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.34 2joz s SER 5 Cb -0.08 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.29 2joz s SER 5 CO 0.04 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 174.44 2joz n GLY 6 N 1.23 3.13 0.00 7.32 0.00 -1.19 -3.28 105.19 112.40 2joz n GLY 6 Ca -0.22 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.15 0.57 -4.08 0.00 -0.06 -0.52 -4.96 117.38 108.18 2joz n GLN 8 Ca 0.00 -1.55 -0.32 0.00 -2.00 0.00 0.00 57.00 53.13 2joz n GLN 8 Cb 0.34 -0.22 -0.16 0.00 -4.06 0.00 0.00 30.24 26.15 2joz n GLN 8 CO 0.00 0.00 0.00 -1.14 -0.20 0.00 0.00 177.06 175.72 2joz s GLN 9 N -3.55 2.54 -0.94 3.69 0.74 -1.25 -3.52 119.66 117.36 2joz s GLN 9 Ca 0.33 -1.00 -0.24 0.00 0.05 0.00 0.00 55.36 54.50 2joz s GLN 9 Cb -0.02 -2.64 0.02 0.00 1.10 0.00 0.00 33.01 31.47 2joz s GLN 9 CO 0.21 -0.37 1.59 -1.14 -0.55 0.00 0.00 175.29 175.03 2joz s GLN 10 N 1.25 3.23 -0.21 1.67 2.00 0.13 -4.78 119.66 122.95 2joz s GLN 10 Ca -0.01 -0.73 -0.07 0.00 -2.00 0.00 0.00 55.36 52.55 2joz s GLN 10 Cb -0.16 -5.12 -0.20 0.00 0.80 0.00 0.00 33.01 28.33 2joz s GLN 10 CO -0.09 -2.55 0.02 0.36 -0.50 0.00 0.00 175.29 172.53 2joz n LYS 11 N 8.94 0.67 -3.18 1.67 2.85 -1.26 -4.70 118.16 123.14 2joz n LYS 11 Ca 0.32 0.27 0.02 0.00 -1.05 0.00 0.00 58.31 57.86 2joz n LYS 11 Cb 0.50 -1.61 -0.01 0.00 -0.65 0.00 0.00 35.03 33.25 2joz n LYS 11 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 2joz s GLU 12 N -2.51 0.53 0.55 -1.58 -1.05 -1.26 -5.16 118.70 108.23 2joz s GLU 12 Ca -0.30 0.65 0.08 0.00 -0.15 0.00 0.00 54.97 55.25 2joz s GLU 12 Cb 0.09 0.25 0.08 0.00 -0.44 0.00 0.00 34.13 34.11 2joz s GLU 12 CO 0.64 -0.88 0.70 -0.85 0.95 0.00 0.00 175.26 175.82 2joz n GLU 13 N 5.41 0.63 -0.05 -4.83 0.00 -1.26 -5.09 120.64 115.46 2joz n GLU 13 Ca 0.02 -3.08 -0.02 0.00 0.00 0.00 0.00 57.16 54.09 2joz n GLU 13 Cb 0.52 -0.12 -0.01 0.00 0.00 0.00 0.00 31.44 31.83 2joz n GLU 13 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 2joz h THR 14 N 0.20 0.19 -0.74 3.84 2.02 -2.05 -3.42 112.91 112.96 2joz h THR 14 Ca -0.28 -1.15 -0.28 0.00 0.77 0.00 0.00 66.41 65.48 2joz h THR 14 Cb 1.21 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 2joz h THR 14 CO 0.40 0.07 0.70 -2.84 0.37 0.00 0.00 175.52 174.21 2joz s PRO 15 N -1.65 2.47 0.00 6.66 0.02 -1.26 -4.77 135.00 136.47 2joz s PRO 15 Ca -0.03 -0.17 0.23 0.00 0.02 0.00 0.00 61.00 61.05 2joz s PRO 15 Cb -0.00 -5.01 1.02 0.00 0.02 0.00 0.00 34.50 30.53 2joz s PRO 15 CO 0.08 -3.45 1.74 1.97 -0.33 0.00 0.00 177.00 177.01 2joz n PHE 16 N 14.38 0.00 0.86 6.54 1.16 -1.26 -3.23 117.46 135.90 2joz n PHE 16 Ca 0.40 0.00 0.13 0.00 -1.87 0.00 0.00 57.45 56.11 2joz n PHE 16 Cb 0.47 -0.46 0.40 0.00 -1.61 0.00 0.00 39.48 38.28 2joz n PHE 16 CO 0.00 0.00 0.00 2.48 -1.87 0.00 0.00 176.76 177.37 2joz n TYR 17 N -1.46 0.26 -2.31 2.97 4.11 -1.26 -4.86 117.16 114.60 2joz n TYR 17 Ca 0.07 0.07 -0.34 0.00 -0.00 0.00 0.00 57.90 57.70 2joz n TYR 17 Cb 0.25 -0.53 -0.01 0.00 -0.00 0.00 0.00 39.34 39.05 2joz n TYR 17 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.86 177.57 2joz s TYR 18 N -3.05 2.85 0.00 -3.48 2.02 -1.20 -4.58 117.35 109.91 2joz s TYR 18 Ca 0.11 1.55 0.00 0.00 -0.37 0.00 0.00 57.07 58.37 2joz s TYR 18 Cb 0.16 -3.14 0.00 0.00 -0.40 0.00 0.00 41.96 38.58 2joz s TYR 18 CO 0.62 -1.19 0.00 0.41 -1.57 0.00 0.00 175.55 173.82 2joz n GLY 19 N -0.24 0.07 3.44 0.71 0.00 -1.21 -4.93 105.19 103.04 2joz n GLY 19 Ca 0.10 -2.27 -0.34 0.00 0.00 0.00 0.00 46.02 43.51 2joz n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2joz s THR 20 N 0.00 3.63 -0.14 2.61 2.01 -1.26 -1.20 115.64 121.29 2joz s THR 20 Ca 0.00 -0.44 -0.01 0.00 0.31 0.00 0.00 61.69 61.55 2joz s THR 20 Cb 0.00 -2.59 -0.01 0.00 0.01 0.00 0.00 72.50 69.90 2joz s THR 20 CO 0.00 0.48 -0.11 0.26 -0.69 0.00 0.00 174.62 174.56 2joz s TRP 21 N 0.57 2.85 -0.24 4.92 0.52 0.12 -3.00 118.94 124.69 2joz s TRP 21 Ca -0.04 -0.66 -0.22 0.00 0.02 0.00 0.00 56.10 55.21 2joz s TRP 21 Cb -0.15 -1.89 -0.02 0.00 -1.15 0.00 0.00 33.47 30.27 2joz s TRP 21 CO 0.03 -0.24 0.69 0.34 0.02 0.00 0.00 176.95 177.78 2joz s ASP 22 N 0.50 6.67 -1.12 2.95 2.15 0.27 -0.98 116.67 127.12 2joz s ASP 22 Ca -0.08 0.83 -0.07 0.00 0.43 0.00 0.00 52.55 53.65 2joz s ASP 22 Cb -0.15 -2.37 0.28 0.00 -0.30 0.00 0.00 42.92 40.38 2joz s ASP 22 CO 0.04 -0.39 1.29 -0.62 -0.17 0.00 0.00 175.17 175.32 2joz n GLU 23 N 5.66 3.88 -1.50 4.34 -0.58 0.15 -2.21 120.64 130.39 2joz n GLU 23 Ca 0.01 -4.44 -0.33 0.00 -0.42 0.00 0.00 57.16 51.98 2joz n GLU 23 Cb 0.49 -2.57 0.07 0.00 -0.57 0.00 0.00 31.44 28.85 2joz n GLU 23 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2joz n GLY 24 N 2.25 5.98 3.17 0.62 0.00 -1.26 -3.04 105.19 112.92 2joz n GLY 24 Ca 0.26 -2.39 -0.22 0.00 0.00 0.00 0.00 46.02 43.66 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 -3.79 1.13 0.27 1.61 3.52 -1.26 -5.08 118.95 115.35 2joz s ARG 25 Ca 0.62 -0.78 0.00 0.00 -0.13 0.00 0.00 55.73 55.44 2joz s ARG 25 Cb 0.49 -1.16 0.00 0.00 -1.56 0.00 0.00 34.95 32.71 2joz s ARG 25 CO -0.01 0.30 0.00 0.00 -0.81 0.00 0.00 175.30 174.77 2joz n ALA 26 N 2.02 -1.51 -1.79 6.12 0.00 -1.26 -4.85 120.51 119.24 2joz n ALA 26 Ca -0.17 0.35 -0.42 0.00 0.00 0.00 0.00 53.44 53.21 2joz n ALA 26 Cb 0.54 -0.78 -0.02 0.00 0.00 0.00 0.00 19.45 19.20 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 -3.93 4.16 0.32 0.00 0.02 -1.26 -4.98 135.00 129.33 2joz s PRO 27 Ca 0.00 2.51 0.03 0.00 0.02 0.00 0.00 61.00 63.56 2joz s PRO 27 Cb 0.00 -3.05 0.06 0.00 0.02 0.00 0.00 34.50 31.53 2joz s PRO 27 CO 0.00 -0.59 0.44 0.41 -0.33 0.00 0.00 177.00 176.93 2joz n GLY 28 N 2.37 1.44 3.71 0.52 0.00 -1.24 -5.03 105.19 106.96 2joz n GLY 28 Ca 0.09 -2.10 -0.42 0.00 0.00 0.00 0.00 46.02 43.58 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 -1.75 2.78 0.01 1.61 -0.04 -1.17 -4.86 135.00 131.58 2joz n PRO 29 Ca 0.08 1.01 0.06 0.00 -0.04 0.00 0.00 63.50 64.61 2joz n PRO 29 Cb 0.30 -2.87 0.27 0.00 -0.04 0.00 0.00 33.50 31.15 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 4.21 1.19 -0.08 0.52 5.66 -1.26 -2.64 114.28 121.88 2joz n THR 30 Ca 0.17 0.31 0.14 0.00 -3.05 0.00 0.00 64.05 61.61 2joz n THR 30 Cb 0.36 -1.12 0.53 0.00 -1.55 0.00 0.00 70.33 68.55 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 0.31 0.00 1.09 3.58 -2.05 -3.45 116.42 115.90 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 0.20 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.20 2joz h ASP 31 CO 0.00 0.18 0.00 0.61 -2.88 0.00 0.00 179.24 177.15 2joz n GLY 32 N -1.54 0.57 3.73 -0.78 0.00 -1.08 -5.13 105.19 100.96 2joz n GLY 32 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 4.71 -0.07 1.61 1.01 -1.21 -4.55 120.40 121.90 2joz s VAL 33 Ca 0.00 1.83 0.11 0.00 0.00 0.00 0.00 61.98 63.92 2joz s VAL 33 Cb 0.00 -4.21 -0.23 0.00 0.00 0.00 0.00 36.38 31.94 2joz s VAL 33 CO 0.00 0.30 0.55 0.29 0.00 0.00 0.00 175.10 176.25 2joz n LYS 34 N 3.08 0.65 -3.64 2.72 5.02 -1.23 -3.06 118.16 121.70 2joz n LYS 34 Ca 0.01 0.26 -0.09 0.00 -2.02 0.00 0.00 58.31 56.46 2joz n LYS 34 Cb 0.50 -1.75 -0.02 0.00 -0.02 0.00 0.00 35.03 33.74 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 -6.11 -0.41 0.08 4.39 0.01 -1.26 -3.67 113.70 106.72 2joz s SER 35 Ca -0.07 -0.31 0.03 0.00 1.31 0.00 0.00 55.95 56.91 2joz s SER 35 Cb 0.08 0.66 -0.03 0.00 0.21 0.00 0.00 66.02 66.93 2joz s SER 35 CO 0.82 -1.15 -0.08 0.00 0.41 0.00 0.00 173.24 173.23 2joz s ALA 36 N -3.82 0.90 -0.08 1.44 0.00 -1.17 -1.57 121.76 117.46 2joz s ALA 36 Ca 0.06 -1.09 0.04 0.00 0.00 0.00 0.00 51.96 50.96 2joz s ALA 36 Cb -0.03 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.16 2joz s ALA 36 CO -0.03 -0.09 -0.20 0.95 0.00 0.00 0.00 175.76 176.40 2joz s THR 37 N -2.42 1.72 -0.13 0.00 -4.23 0.87 -0.67 115.64 110.77 2joz s THR 37 Ca 0.02 -0.83 -0.01 0.00 -1.18 0.00 0.00 61.69 59.69 2joz s THR 37 Cb -0.03 -1.51 -0.02 0.00 1.34 0.00 0.00 72.50 72.29 2joz s THR 37 CO -0.01 0.49 -0.10 0.54 -0.54 0.00 0.00 174.62 174.99 2joz s VAL 38 N 0.41 3.34 -0.15 2.29 0.11 -0.15 -0.74 120.40 125.51 2joz s VAL 38 Ca -0.16 -0.56 -0.00 0.00 -2.93 0.00 0.00 61.98 58.32 2joz s VAL 38 Cb -0.17 -2.42 -0.01 0.00 -1.53 0.00 0.00 36.38 32.25 2joz s VAL 38 CO 0.07 0.52 -0.13 -0.89 -3.33 0.00 0.00 175.10 171.33 2joz s THR 39 N 0.30 2.93 -0.31 5.04 2.01 0.24 0.14 115.64 125.99 2joz s THR 39 Ca -0.08 -0.69 -0.11 0.00 0.31 0.00 0.00 61.69 61.12 2joz s THR 39 Cb -0.15 -2.24 -0.03 0.00 0.01 0.00 0.00 72.50 70.09 2joz s THR 39 CO 0.05 0.51 0.20 -0.36 -0.69 0.00 0.00 174.62 174.33 2joz s PHE 40 N 0.66 3.21 0.58 4.92 0.08 -0.34 -0.65 117.98 126.43 2joz s PHE 40 Ca -0.07 -0.12 0.09 0.00 0.12 0.00 0.00 56.93 56.95 2joz s PHE 40 Cb -0.15 -2.41 0.09 0.00 -0.57 0.00 0.00 43.02 39.97 2joz s PHE 40 CO 0.02 -0.28 0.76 0.99 -0.10 0.00 0.00 175.22 176.61 2joz s THR 41 N 1.72 2.03 0.06 0.64 2.01 -0.13 -3.31 115.64 118.66 2joz s THR 41 Ca 0.06 -1.06 -0.21 0.00 0.31 0.00 0.00 61.69 60.80 2joz s THR 41 Cb -0.17 -2.08 -0.09 0.00 0.01 0.00 0.00 72.50 70.17 2joz s THR 41 CO 0.10 0.00 1.33 -0.33 -0.69 0.00 0.00 174.62 175.03 2joz h GLU 42 N 0.21 -0.50 -0.03 4.92 5.08 -2.01 -3.32 114.58 118.94 2joz h GLU 42 Ca -0.30 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 2joz h GLU 42 Cb 1.29 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.65 2joz h GLU 42 CO 0.42 -0.33 0.00 -0.40 -1.00 0.00 0.00 179.01 177.70 2joz n ASP 43 N -4.22 2.27 -3.87 1.42 5.75 -1.26 -4.94 116.55 111.70 2joz n ASP 43 Ca -0.06 -2.49 -0.11 0.00 -0.01 0.00 0.00 54.79 52.12 2joz n ASP 43 Cb 0.26 -0.21 -0.10 0.00 -1.03 0.00 0.00 41.12 40.04 2joz n ASP 43 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 2joz s GLU 44 N -1.84 0.44 -0.23 0.11 -1.05 -1.25 -3.01 118.70 111.86 2joz s GLU 44 Ca 0.16 -0.33 -0.05 0.00 -0.15 0.00 0.00 54.97 54.60 2joz s GLU 44 Cb 0.13 0.18 -0.01 0.00 -0.44 0.00 0.00 34.13 34.00 2joz s GLU 44 CO 0.02 -0.10 -0.00 0.08 0.95 0.00 0.00 175.26 176.21 2joz s VAL 45 N -1.19 3.66 -0.25 1.83 1.01 0.10 -0.95 120.40 124.60 2joz s VAL 45 Ca -0.13 -0.44 -0.10 0.00 0.00 0.00 0.00 61.98 61.31 2joz s VAL 45 Cb -0.07 -2.70 -0.05 0.00 0.00 0.00 0.00 36.38 33.56 2joz s VAL 45 CO 0.01 0.37 0.15 -0.69 0.00 0.00 0.00 175.10 174.94 2joz s VAL 46 N 1.51 5.21 -0.14 2.92 1.01 0.17 -0.52 120.40 130.56 2joz s VAL 46 Ca 0.06 0.13 -0.08 0.00 0.00 0.00 0.00 61.98 62.09 2joz s VAL 46 Cb -0.15 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 2joz s VAL 46 CO -0.01 0.32 0.13 -1.61 0.00 0.00 0.00 175.10 173.94 2joz s GLU 47 N 1.28 3.63 -0.11 2.72 2.02 -1.26 -0.59 118.70 126.39 2joz s GLU 47 Ca 0.07 -0.16 0.00 0.00 0.02 0.00 0.00 54.97 54.90 2joz s GLU 47 Cb -0.14 -3.24 0.02 0.00 0.10 0.00 0.00 34.13 30.87 2joz s GLU 47 CO 0.06 0.65 -0.10 0.99 0.02 0.00 0.00 175.26 176.87 2joz s THR 48 N -0.64 1.19 -0.15 3.63 2.01 0.08 -0.20 115.64 121.56 2joz s THR 48 Ca 0.13 -0.42 -0.09 0.00 0.31 0.00 0.00 61.69 61.62 2joz s THR 48 Cb -0.12 -1.16 -0.04 0.00 0.01 0.00 0.00 72.50 71.19 2joz s THR 48 CO 0.02 0.39 0.15 -1.61 -0.69 0.00 0.00 174.62 172.88 2joz s GLU 49 N 1.42 3.76 -0.41 4.92 2.02 0.37 -0.09 118.70 130.69 2joz s GLU 49 Ca 0.00 -0.14 -0.23 0.00 0.02 0.00 0.00 54.97 54.63 2joz s GLU 49 Cb -0.13 -3.29 0.02 0.00 0.10 0.00 0.00 34.13 30.83 2joz s GLU 49 CO -0.06 0.58 0.76 0.08 0.02 0.00 0.00 175.26 176.64 2joz s VAL 50 N -0.46 4.71 -0.19 2.63 1.01 -0.61 -0.19 120.40 127.32 2joz s VAL 50 Ca 0.13 0.59 -0.04 0.00 0.00 0.00 0.00 61.98 62.66 2joz s VAL 50 Cb -0.12 -4.25 -0.02 0.00 0.00 0.00 0.00 36.38 31.99 2joz s VAL 50 CO 0.02 -0.57 -0.04 -0.04 0.00 0.00 0.00 175.10 174.47 2joz s MET 51 N 3.14 3.52 -0.14 2.72 -1.94 -0.09 -3.48 119.30 123.03 2joz s MET 51 Ca 0.29 -0.58 -0.29 0.00 -1.71 0.00 0.00 55.69 53.41 2joz s MET 51 Cb -0.13 -2.96 -0.06 0.00 2.01 0.00 0.00 34.83 33.69 2joz s MET 51 CO 0.20 0.02 2.05 -2.00 -0.01 0.00 0.00 175.02 175.28 2joz s GLU 52 N 0.94 3.54 0.00 2.03 2.12 -1.26 -0.54 118.70 125.53 2joz s GLU 52 Ca -0.00 2.15 0.00 0.00 0.36 0.00 0.00 54.97 57.48 2joz s GLU 52 Cb -0.15 -4.26 0.00 0.00 0.26 0.00 0.00 34.13 29.98 2joz s GLU 52 CO 0.01 -1.63 0.00 0.41 -0.54 0.00 0.00 175.26 173.51 2joz n GLY 53 N 5.22 3.01 0.10 -1.50 0.00 -1.26 -4.83 105.19 105.95 2joz n GLY 53 Ca 0.25 0.00 -0.17 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 -0.59 0.54 0.00 1.61 5.12 -0.56 -5.12 116.66 117.66 2joz n ARG 54 Ca 0.00 0.36 0.00 0.00 -1.93 0.00 0.00 57.85 56.28 2joz n ARG 54 Cb 0.00 -1.56 0.00 0.00 -1.16 0.00 0.00 32.46 29.74 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 1.42 0.39 3.70 -0.13 0.00 0.30 -4.99 105.19 105.87 2joz n GLY 55 Ca -0.29 -2.21 -0.42 0.00 0.00 0.00 0.00 46.02 43.10 2joz n GLY 55 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2joz s GLU 56 N 0.00 4.33 -0.19 1.61 8.01 -1.26 -0.91 118.70 130.29 2joz s GLU 56 Ca 0.00 1.89 -0.02 0.00 0.01 0.00 0.00 54.97 56.85 2joz s GLU 56 Cb 0.00 -3.48 -0.01 0.00 -4.31 0.00 0.00 34.13 26.33 2joz s GLU 56 CO 0.00 -0.47 -0.09 0.08 0.01 0.00 0.00 175.26 174.78 2joz s VAL 57 N 1.94 3.06 -0.05 2.63 1.01 0.74 -4.92 120.40 124.81 2joz s VAL 57 Ca 0.61 -0.61 -0.28 0.00 0.00 0.00 0.00 61.98 61.70 2joz s VAL 57 Cb -0.31 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 2joz s VAL 57 CO 0.27 0.47 0.91 -1.10 0.00 0.00 0.00 175.10 175.65 2joz s GLN 58 N 1.15 4.48 0.46 2.72 -0.21 -1.26 -0.48 119.66 126.52 2joz s GLN 58 Ca 0.01 1.26 0.01 0.00 0.02 0.00 0.00 55.36 56.66 2joz s GLN 58 Cb -0.14 -3.49 0.00 0.00 1.00 0.00 0.00 33.01 30.38 2joz s GLN 58 CO -0.03 -0.11 0.67 -0.51 -2.12 0.00 0.00 175.29 173.20 2joz s LEU 59 N 1.28 3.61 0.16 2.90 1.43 0.72 -4.99 118.68 123.79 2joz s LEU 59 Ca 0.47 0.20 -0.32 0.00 -1.03 0.00 0.00 54.13 53.44 2joz s LEU 59 Cb -0.19 -3.08 -0.12 0.00 0.03 0.00 0.00 46.19 42.82 2joz s LEU 59 CO 0.22 -0.76 1.72 -0.81 0.23 0.00 0.00 176.35 176.96 2joz n PRO 60 N -2.09 2.60 -2.02 1.29 -0.04 -1.26 -4.43 135.00 129.04 2joz n PRO 60 Ca 0.02 0.94 -0.42 0.00 -0.04 0.00 0.00 63.50 64.00 2joz n PRO 60 Cb 0.58 -2.78 -0.03 0.00 -0.04 0.00 0.00 33.50 31.23 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 1.61 2.32 -0.05 0.54 -0.12 -1.26 -4.69 117.98 116.32 2joz s PHE 61 Ca 0.78 0.36 -0.29 0.00 -0.05 0.00 0.00 56.93 57.73 2joz s PHE 61 Cb -0.55 -3.88 -0.02 0.00 -0.63 0.00 0.00 43.02 37.93 2joz s PHE 61 CO 0.36 -3.58 0.98 1.41 -0.05 0.00 0.00 175.22 174.34 2joz s MET 62 N 3.19 4.49 0.18 1.99 -2.45 0.32 -4.81 119.30 122.21 2joz s MET 62 Ca 0.72 1.38 -0.30 0.00 -1.25 0.00 0.00 55.69 56.23 2joz s MET 62 Cb -0.35 -3.50 -0.08 0.00 1.25 0.00 0.00 34.83 32.15 2joz s MET 62 CO 0.30 -0.17 1.11 0.00 1.05 0.00 0.00 175.02 177.31 2joz s ALA 63 N 1.46 3.38 0.07 4.11 0.00 -1.26 0.02 121.76 129.54 2joz s ALA 63 Ca 0.49 0.83 -0.09 0.00 0.00 0.00 0.00 51.96 53.19 2joz s ALA 63 Cb -0.20 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.57 2joz s ALA 63 CO 0.23 -0.23 0.20 1.52 0.00 0.00 0.00 175.76 177.48 2joz s TYR 64 N -0.23 0.10 -0.04 0.00 1.13 -1.16 -0.29 117.35 116.86 2joz s TYR 64 Ca 0.50 -0.44 0.05 0.00 -1.41 0.00 0.00 57.07 55.77 2joz s TYR 64 Cb -0.30 -0.04 -0.01 0.00 -1.10 0.00 0.00 41.96 40.52 2joz s TYR 64 CO 0.35 -0.50 -0.20 0.21 -2.51 0.00 0.00 175.55 172.89 2joz s LYS 65 N -3.34 1.98 -0.11 -3.49 2.20 0.12 -4.62 119.74 112.48 2joz s LYS 65 Ca 0.01 -0.73 -0.30 0.00 -0.36 0.00 0.00 55.97 54.59 2joz s LYS 65 Cb 0.02 -1.75 -0.02 0.00 -1.51 0.00 0.00 37.83 34.57 2joz s LYS 65 CO -0.08 0.34 1.21 0.08 -0.36 0.00 0.00 175.35 176.54 2joz s VAL 66 N -0.17 4.30 -0.14 4.02 1.01 -1.26 -0.08 120.40 128.07 2joz s VAL 66 Ca -0.00 1.60 -0.16 0.00 0.00 0.00 0.00 61.98 63.42 2joz s VAL 66 Cb -0.11 -4.03 -0.13 0.00 0.00 0.00 0.00 36.38 32.10 2joz s VAL 66 CO 0.02 -0.06 0.27 0.40 0.00 0.00 0.00 175.10 175.73 2joz h ILE 67 N 5.22 0.80 -4.09 2.22 2.04 -1.01 -3.47 117.51 119.23 2joz h ILE 67 Ca -0.30 -1.71 -0.13 0.00 1.00 0.00 0.00 64.86 63.71 2joz h ILE 67 Cb 1.13 1.63 -0.17 0.00 -0.74 0.00 0.00 36.82 38.67 2joz h ILE 67 CO 0.92 0.27 -0.65 -0.44 0.00 0.00 0.00 178.15 178.25 2joz s SER 68 N -6.09 0.36 -0.14 1.72 0.01 0.03 -4.97 113.70 104.61 2joz s SER 68 Ca -0.15 -0.78 -0.06 0.00 1.31 0.00 0.00 55.95 56.26 2joz s SER 68 Cb 0.01 0.18 0.06 0.00 0.21 0.00 0.00 66.02 66.48 2joz s SER 68 CO 0.40 -0.51 0.32 -1.58 0.41 0.00 0.00 173.24 172.28 2joz s GLN 69 N -3.04 0.26 0.04 12.44 0.74 -1.25 -1.03 119.66 127.81 2joz s GLN 69 Ca -0.01 0.72 -0.27 0.00 0.05 0.00 0.00 55.36 55.84 2joz s GLN 69 Cb 0.02 -0.02 0.08 0.00 1.10 0.00 0.00 33.01 34.19 2joz s GLN 69 CO -0.07 -0.20 0.70 0.45 -0.55 0.00 0.00 175.29 175.63 2joz s SER 70 N 1.74 -0.55 0.18 6.67 0.15 -0.56 -4.92 113.70 116.42 2joz s SER 70 Ca -0.06 0.24 0.13 0.00 0.70 0.00 0.00 55.95 56.96 2joz s SER 70 Cb -0.10 0.52 -0.06 0.00 -1.71 0.00 0.00 66.02 64.66 2joz s SER 70 CO -0.10 -0.75 1.25 0.74 1.20 0.00 0.00 173.24 175.58 2joz h THR 71 N 2.34 1.05 0.00 6.45 2.02 -1.97 -2.91 112.91 119.89 2joz h THR 71 Ca -0.29 -2.56 -0.02 0.00 0.77 0.00 0.00 66.41 64.31 2joz h THR 71 Cb 1.24 2.49 -0.00 0.00 -1.74 0.00 0.00 68.15 70.13 2joz h THR 71 CO 0.37 0.60 -1.09 0.47 0.37 0.00 0.00 175.52 176.23 2joz n ASP 72 N -3.20 4.67 -0.14 4.18 9.92 -1.26 -4.48 116.55 126.25 2joz n ASP 72 Ca -0.01 0.00 0.14 0.00 -0.53 0.00 0.00 54.79 54.39 2joz n ASP 72 Cb 0.83 0.54 0.77 0.00 -0.64 0.00 0.00 41.12 42.62 2joz n ASP 72 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2joz n GLY 73 N 2.91 -0.71 2.21 0.44 0.00 -1.26 -5.02 105.19 103.77 2joz n GLY 73 Ca -0.02 -0.25 0.16 0.00 0.00 0.00 0.00 46.02 45.91 2joz n GLY 73 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2joz n SER 74 N -0.64 -7.92 -4.53 1.61 3.41 -1.10 -4.70 113.62 99.75 2joz n SER 74 Ca 0.21 1.29 -0.34 0.00 -0.26 0.00 0.00 58.87 59.77 2joz n SER 74 Cb 0.17 -3.61 -0.12 0.00 -0.26 0.00 0.00 64.21 60.39 2joz n SER 74 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2joz s ILE 75 N -1.86 4.05 -0.08 -1.33 1.01 -0.82 -1.50 121.20 120.66 2joz s ILE 75 Ca 0.00 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.37 2joz s ILE 75 Cb 0.00 -2.78 0.01 0.00 0.01 0.00 0.00 42.46 39.70 2joz s ILE 75 CO 0.00 0.50 -0.15 -0.70 0.00 0.00 0.00 174.94 174.59 2joz s GLU 76 N 0.28 2.06 0.12 2.79 2.12 -0.20 -0.32 118.70 125.54 2joz s GLU 76 Ca -0.02 -0.52 0.05 0.00 0.36 0.00 0.00 54.97 54.83 2joz s GLU 76 Cb -0.14 -1.69 -0.04 0.00 0.26 0.00 0.00 34.13 32.53 2joz s GLU 76 CO 0.02 0.02 -0.12 0.96 -0.54 0.00 0.00 175.26 175.61 2joz s ILE 77 N 0.73 1.17 0.06 -3.70 -4.36 -0.41 -0.34 121.20 114.35 2joz s ILE 77 Ca -0.13 -1.75 0.08 0.00 -0.26 0.00 0.00 60.65 58.59 2joz s ILE 77 Cb -0.16 -1.53 -0.03 0.00 1.25 0.00 0.00 42.46 42.00 2joz s ILE 77 CO 0.03 -0.53 -0.22 -1.58 0.24 0.00 0.00 174.94 172.88 2joz s GLN 78 N -2.90 1.40 0.11 0.37 2.00 0.88 -0.86 119.66 120.66 2joz s GLN 78 Ca 0.09 -1.04 -0.01 0.00 -2.00 0.00 0.00 55.36 52.40 2joz s GLN 78 Cb -0.03 -1.58 -0.04 0.00 0.80 0.00 0.00 33.01 32.16 2joz s GLN 78 CO 0.02 0.40 0.28 0.71 -0.50 0.00 0.00 175.29 176.19 2joz s TYR 79 N -0.89 3.50 0.33 1.67 2.02 -1.26 0.14 117.35 122.86 2joz s TYR 79 Ca 0.08 0.33 0.09 0.00 -0.37 0.00 0.00 57.07 57.20 2joz s TYR 79 Cb -0.09 -1.82 -0.05 0.00 -0.40 0.00 0.00 41.96 39.59 2joz s TYR 79 CO 0.03 0.52 0.07 -0.51 -1.57 0.00 0.00 175.55 174.08 2joz s LEU 80 N -2.72 3.12 0.00 -1.29 1.43 0.60 -3.75 118.68 116.07 2joz s LEU 80 Ca 0.37 -0.86 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 2joz s LEU 80 Cb -0.12 -1.55 0.00 0.00 0.03 0.00 0.00 46.19 44.54 2joz s LEU 80 CO 0.27 -0.24 0.00 0.61 0.23 0.00 0.00 176.35 177.22 2joz n GLY 81 N -1.03 -0.44 0.00 -3.19 0.00 -1.26 -3.82 105.19 95.44 2joz n GLY 81 Ca -0.04 -1.41 0.03 0.00 0.00 0.00 0.00 46.02 44.59 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 0.06 -0.39 1.61 -0.02 -1.26 -1.54 135.00 133.45 2joz n PRO 82 Ca 0.00 0.28 0.08 0.00 -2.02 0.00 0.00 63.50 61.85 2joz n PRO 82 Cb 0.00 -1.50 0.27 0.00 -0.02 0.00 0.00 33.50 32.25 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 -1.35 0.96 -0.39 6.00 4.02 -1.25 -5.03 117.16 120.12 2joz n TYR 83 Ca 0.02 -0.59 -0.29 0.00 -0.01 0.00 0.00 57.90 57.03 2joz n TYR 83 Cb 0.05 -0.14 0.28 0.00 -0.02 0.00 0.00 39.34 39.51 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 -1.56 0.27 0.00 -0.72 1.13 -0.59 -3.28 117.35 112.61 2joz s TYR 84 Ca 0.40 0.88 0.00 0.00 -1.41 0.00 0.00 57.07 56.93 2joz s TYR 84 Cb 0.25 -2.95 0.00 0.00 -1.10 0.00 0.00 41.96 38.15 2joz s TYR 84 CO 0.21 -4.58 0.00 -2.30 -2.51 0.00 0.00 175.55 166.37 2joz n PRO 85 N -5.39 0.00 -2.47 -3.49 -0.02 -1.25 -4.82 135.00 117.56 2joz n PRO 85 Ca 0.07 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.14 2joz n PRO 85 Cb 0.57 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 34.02 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 3.31 0.00 2.45 2.96 -1.20 -4.94 118.68 121.26 2joz s LEU 86 Ca 0.00 -0.03 0.03 0.00 -0.22 0.00 0.00 54.13 53.91 2joz s LEU 86 Cb 0.00 -2.86 0.09 0.00 0.50 0.00 0.00 46.19 43.92 2joz s LEU 86 CO 0.00 -1.75 0.64 2.29 -1.32 0.00 0.00 176.35 176.21 2joz n LYS 87 N 8.92 0.37 -4.03 1.98 2.85 -1.26 -4.15 118.16 122.84 2joz n LYS 87 Ca 0.08 -2.03 -0.08 0.00 -1.05 0.00 0.00 58.31 55.24 2joz n LYS 87 Cb 0.49 -0.34 -0.09 0.00 -0.65 0.00 0.00 35.03 34.44 2joz n LYS 87 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2joz s SER 88 N -3.71 0.38 0.02 -5.58 0.15 -0.04 -4.05 113.70 100.87 2joz s SER 88 Ca 0.45 -0.88 0.01 0.00 0.70 0.00 0.00 55.95 56.23 2joz s SER 88 Cb -0.03 0.23 -0.01 0.00 -1.71 0.00 0.00 66.02 64.50 2joz s SER 88 CO 0.29 -0.61 -0.05 -0.89 1.20 0.00 0.00 173.24 173.18 2joz s THR 89 N -3.74 0.35 -0.11 6.45 2.01 0.92 -1.29 115.64 120.24 2joz s THR 89 Ca 0.05 -0.57 0.01 0.00 0.31 0.00 0.00 61.69 61.49 2joz s THR 89 Cb 0.06 -0.37 0.02 0.00 0.01 0.00 0.00 72.50 72.22 2joz s THR 89 CO -0.10 -0.15 -0.13 -0.76 -0.69 0.00 0.00 174.62 172.79 2joz s LEU 90 N -0.77 1.60 0.34 4.42 1.43 0.56 0.67 118.68 126.92 2joz s LEU 90 Ca -0.05 -0.39 0.07 0.00 -1.03 0.00 0.00 54.13 52.73 2joz s LEU 90 Cb -0.05 -1.01 -0.07 0.00 0.03 0.00 0.00 46.19 45.09 2joz s LEU 90 CO -0.00 -0.01 -0.03 -0.54 0.23 0.00 0.00 176.35 175.99 2joz s LYS 91 N 1.12 1.74 0.42 1.70 1.02 -0.23 -1.95 119.74 123.56 2joz s LYS 91 Ca -0.05 -1.93 -0.21 0.00 0.02 0.00 0.00 55.97 53.80 2joz s LYS 91 Cb -0.14 -1.37 -0.11 0.00 -0.52 0.00 0.00 37.83 35.69 2joz s LYS 91 CO -0.03 0.01 0.95 1.03 -0.92 0.00 0.00 175.35 176.39 2joz s ARG 92 N -3.72 4.24 -0.06 1.68 0.52 -1.26 -0.26 118.95 120.10 2joz s ARG 92 Ca 0.33 1.15 0.04 0.00 -0.52 0.00 0.00 55.73 56.73 2joz s ARG 92 Cb 0.06 -2.23 -0.02 0.00 0.52 0.00 0.00 34.95 33.28 2joz s ARG 92 CO 0.15 -0.02 -0.18 0.20 0.02 0.00 0.00 175.30 175.47 2joz s GLY 93 N -2.12 1.44 0.25 -3.53 0.00 0.66 -4.62 107.32 99.40 2joz s GLY 93 Ca 0.61 -1.00 -0.03 0.00 0.00 0.00 0.00 44.72 44.30 2joz s GLY 93 CO 0.14 -0.69 1.84 0.83 0.00 0.00 0.00 173.10 175.22 2joz h GLU 94 N 5.70 0.91 -0.89 2.90 5.08 -1.98 -0.76 114.58 125.54 2joz h GLU 94 Ca -0.40 -0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 57.72 2joz h GLU 94 Cb 1.16 -0.20 -0.11 0.00 0.50 0.00 0.00 28.75 30.10 2joz h GLU 94 CO 0.50 0.60 0.23 0.09 -1.00 0.00 0.00 179.01 179.43 2joz n ASN 95 N -4.65 3.67 -0.43 1.42 3.02 -1.26 -4.79 115.26 112.24 2joz n ASN 95 Ca 0.15 -2.82 0.00 0.00 -0.03 0.00 0.00 54.58 51.88 2joz n ASN 95 Cb 0.25 -0.67 0.00 0.00 -0.61 0.00 0.00 39.78 38.75 2joz n ASN 95 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2joz n GLY 96 N -0.13 0.91 3.88 7.41 0.00 -0.34 -5.07 105.19 111.84 2joz n GLY 96 Ca 0.29 -0.66 -0.22 0.00 0.00 0.00 0.00 46.02 45.42 2joz n GLY 96 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2joz s THR 97 N -2.86 2.43 -0.06 2.61 2.01 -0.92 -4.60 115.64 114.26 2joz s THR 97 Ca 0.00 -1.38 0.02 0.00 0.31 0.00 0.00 61.69 60.64 2joz s THR 97 Cb 0.00 -2.81 0.01 0.00 0.01 0.00 0.00 72.50 69.71 2joz s THR 97 CO 0.00 0.00 -0.12 -0.22 -0.69 0.00 0.00 174.62 173.59 2joz s LEU 98 N -4.16 1.68 -0.38 4.42 2.96 -1.20 -0.25 118.68 121.75 2joz s LEU 98 Ca 0.46 -0.29 -0.16 0.00 -0.22 0.00 0.00 54.13 53.92 2joz s LEU 98 Cb -0.03 -0.81 0.00 0.00 0.50 0.00 0.00 46.19 45.85 2joz s LEU 98 CO 0.27 0.05 0.36 -0.63 -1.32 0.00 0.00 176.35 175.08 2joz s ILE 99 N 0.56 5.17 -0.38 6.68 1.01 0.64 -3.11 121.20 131.77 2joz s ILE 99 Ca -0.12 -0.22 -0.17 0.00 0.00 0.00 0.00 60.65 60.14 2joz s ILE 99 Cb -0.15 -3.90 0.01 0.00 0.01 0.00 0.00 42.46 38.43 2joz s ILE 99 CO 0.03 -0.22 0.42 0.86 0.00 0.00 0.00 174.94 176.03 2joz s TRP 100 N 1.97 3.19 -0.18 3.97 -0.00 0.11 -1.07 118.94 126.93 2joz s TRP 100 Ca 0.10 -0.17 -0.07 0.00 -0.00 0.00 0.00 56.10 55.96 2joz s TRP 100 Cb -0.17 -2.81 -0.04 0.00 -0.00 0.00 0.00 33.47 30.45 2joz s TRP 100 CO 0.12 -0.58 0.04 -1.21 -0.00 0.00 0.00 176.95 175.32 2joz s GLU 101 N 2.12 3.92 -0.19 5.86 2.02 0.21 0.66 118.70 133.31 2joz s GLU 101 Ca 0.13 -0.37 -0.14 0.00 0.02 0.00 0.00 54.97 54.60 2joz s GLU 101 Cb -0.17 -3.16 0.06 0.00 0.10 0.00 0.00 34.13 30.96 2joz s GLU 101 CO 0.13 0.27 0.49 -1.14 0.02 0.00 0.00 175.26 175.03 2joz s GLN 102 N 0.35 0.53 -0.50 1.61 -0.44 -0.48 -0.06 119.66 120.67 2joz s GLN 102 Ca 0.02 0.80 0.00 0.00 -2.50 0.00 0.00 55.36 53.68 2joz s GLN 102 Cb -0.13 0.14 0.00 0.00 -1.64 0.00 0.00 33.01 31.39 2joz s GLN 102 CO 0.01 -0.11 0.00 -1.71 0.50 0.00 0.00 175.29 173.97 2joz n ASN 103 N 3.58 -4.91 0.00 6.67 2.85 -1.26 -0.37 115.26 121.82 2joz n ASN 103 Ca -0.18 0.12 0.00 0.00 -0.11 0.00 0.00 54.58 54.40 2joz n ASN 103 Cb 0.56 -2.83 0.00 0.00 1.24 0.00 0.00 39.78 38.76 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 -0.62 0.70 3.57 8.20 0.00 -1.26 -5.06 105.19 110.73 2joz n GLY 104 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.39 2.58 -0.32 1.61 -0.21 0.50 -5.10 119.66 118.33 2joz s GLN 105 Ca 0.00 -0.68 -0.13 0.00 0.02 0.00 0.00 55.36 54.57 2joz s GLN 105 Cb 0.00 -2.50 -0.03 0.00 1.00 0.00 0.00 33.01 31.48 2joz s GLN 105 CO 0.00 0.62 0.24 1.03 -2.12 0.00 0.00 175.29 175.06 2joz s ARG 106 N -1.19 3.68 -0.09 2.91 0.52 -1.26 -1.38 118.95 122.14 2joz s ARG 106 Ca 0.15 -0.48 -0.05 0.00 -0.52 0.00 0.00 55.73 54.83 2joz s ARG 106 Cb -0.11 -3.75 -0.04 0.00 0.52 0.00 0.00 34.95 31.57 2joz s ARG 106 CO 0.05 -0.36 0.11 0.15 0.02 0.00 0.00 175.30 175.28 2joz s LYS 107 N 1.78 3.32 -0.24 3.54 -0.14 0.21 -4.98 119.74 123.23 2joz s LYS 107 Ca 0.07 -0.24 0.02 0.00 -1.36 0.00 0.00 55.97 54.46 2joz s LYS 107 Cb -0.17 -3.07 0.05 0.00 -1.68 0.00 0.00 37.83 32.96 2joz s LYS 107 CO 0.11 0.74 -0.12 0.99 -0.76 0.00 0.00 175.35 176.31 2joz s THR 108 N -1.06 2.26 0.00 2.17 2.01 -1.26 -0.71 115.64 119.05 2joz s THR 108 Ca 0.17 -1.41 0.06 0.00 0.31 0.00 0.00 61.69 60.82 2joz s THR 108 Cb -0.12 -2.23 -0.02 0.00 0.01 0.00 0.00 72.50 70.14 2joz s THR 108 CO 0.07 0.11 -0.18 0.00 -0.69 0.00 0.00 174.62 173.93 2joz s MET 109 N 1.17 1.38 0.16 4.92 0.23 -1.18 -4.85 119.30 121.13 2joz s MET 109 Ca -0.05 -0.71 0.01 0.00 -1.03 0.00 0.00 55.69 53.91 2joz s MET 109 Cb -0.18 -1.37 -0.04 0.00 -1.53 0.00 0.00 34.83 31.71 2joz s MET 109 CO -0.06 0.37 0.31 0.99 -2.03 0.00 0.00 175.02 174.60 2joz s THR 110 N -0.54 5.29 0.42 3.16 2.01 -0.94 -3.25 115.64 121.80 2joz s THR 110 Ca 0.06 -0.56 -0.06 0.00 0.31 0.00 0.00 61.69 61.44 2joz s THR 110 Cb -0.07 -3.73 -0.05 0.00 0.01 0.00 0.00 72.50 68.66 2joz s THR 110 CO 0.00 -0.10 0.73 0.00 -0.69 0.00 0.00 174.62 174.56 2joz s ARG 111 N -3.21 3.62 0.09 4.92 1.70 -1.26 -0.56 118.95 124.24 2joz s ARG 111 Ca 0.36 0.22 -0.06 0.00 -0.47 0.00 0.00 55.73 55.77 2joz s ARG 111 Cb -0.11 -2.44 -0.05 0.00 -0.57 0.00 0.00 34.95 31.78 2joz s ARG 111 CO 0.29 -0.07 0.35 0.42 -1.08 0.00 0.00 175.30 175.20 2joz s ILE 112 N -2.51 5.18 -0.22 4.99 -1.09 -1.16 -4.81 121.20 121.57 2joz s ILE 112 Ca 0.48 0.16 -0.23 0.00 -2.23 0.00 0.00 60.65 58.83 2joz s ILE 112 Cb -0.10 -3.62 -0.01 0.00 -1.58 0.00 0.00 42.46 37.15 2joz s ILE 112 CO 0.38 0.18 0.74 -0.70 -1.23 0.00 0.00 174.94 174.32 2joz s GLU 113 N -2.25 4.19 -0.31 2.79 2.12 -1.26 -4.96 118.70 119.02 2joz s GLU 113 Ca 0.36 0.80 -0.12 0.00 0.36 0.00 0.00 54.97 56.36 2joz s GLU 113 Cb -0.13 -3.62 -0.03 0.00 0.26 0.00 0.00 34.13 30.61 2joz s GLU 113 CO 0.21 -0.40 0.23 -1.12 -0.54 0.00 0.00 175.26 173.64 2joz s SER 114 N 1.31 6.05 0.00 -1.70 0.01 -1.26 -4.93 113.70 113.18 2joz s SER 114 Ca 0.32 -0.19 0.23 0.00 1.31 0.00 0.00 55.95 57.63 2joz s SER 114 Cb -0.16 -2.13 0.42 0.00 0.21 0.00 0.00 66.02 64.36 2joz s SER 114 CO 0.09 -0.15 1.40 0.29 0.41 0.00 0.00 173.24 175.28 2joz n LYS 115 N 5.10 2.52 -3.82 12.44 5.02 -1.26 -4.93 118.16 133.24 2joz n LYS 115 Ca -0.13 -2.30 -0.12 0.00 -2.02 0.00 0.00 58.31 53.74 2joz n LYS 115 Cb 0.51 -1.52 -0.09 0.00 -0.02 0.00 0.00 35.03 33.91 2joz n LYS 115 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2joz s THR 116 N -1.50 0.08 -0.44 -0.18 -4.23 -1.26 -5.09 115.64 103.01 2joz s THR 116 Ca 0.39 -0.62 0.05 0.00 -1.18 0.00 0.00 61.69 60.32 2joz s THR 116 Cb 0.23 -0.58 0.29 0.00 1.34 0.00 0.00 72.50 73.78 2joz s THR 116 CO 0.32 -0.34 1.10 0.61 -0.54 0.00 0.00 174.62 175.76 2joz n GLY 117 N 1.26 -0.17 3.37 3.99 0.00 -1.26 -4.98 105.19 107.39 2joz n GLY 117 Ca -0.22 0.30 -0.45 0.00 0.00 0.00 0.00 46.02 45.65 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 0.37 3.91 -0.05 1.61 3.52 -1.25 0.19 118.95 127.24 2joz s ARG 118 Ca 0.26 -2.68 -0.02 0.00 -0.13 0.00 0.00 55.73 53.15 2joz s ARG 118 Cb 0.26 -4.64 0.03 0.00 -1.56 0.00 0.00 34.95 29.05 2joz s ARG 118 CO -0.14 -1.41 0.11 -1.21 -0.81 0.00 0.00 175.30 171.85 2joz s GLU 119 N 0.15 0.07 0.32 5.12 2.02 -1.23 -3.15 118.70 122.01 2joz s GLU 119 Ca 0.28 0.29 0.00 0.00 0.02 0.00 0.00 54.97 55.57 2joz s GLU 119 Cb -0.08 -0.15 0.00 0.00 0.10 0.00 0.00 34.13 33.99 2joz s GLU 119 CO -0.07 -0.14 0.00 0.39 0.02 0.00 0.00 175.26 175.46 2joz n GLU 120 N 4.00 -2.23 -3.65 1.61 -0.58 -1.20 -4.55 120.64 114.03 2joz n GLU 120 Ca -0.24 1.61 -0.01 0.00 -0.42 0.00 0.00 57.16 58.10 2joz n GLU 120 Cb 0.53 -2.67 -0.06 0.00 -0.57 0.00 0.00 31.44 28.66 2joz n GLU 120 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2joz s LYS 121 N -2.63 0.24 0.00 3.49 2.20 -1.26 -1.43 119.74 120.35 2joz s LYS 121 Ca 0.00 0.40 0.00 0.00 -0.36 0.00 0.00 55.97 56.01 2joz s LYS 121 Cb 0.00 0.05 0.00 0.00 -1.51 0.00 0.00 37.83 36.37 2joz s LYS 121 CO 0.00 -0.05 0.00 -3.47 -0.36 0.00 0.00 175.35 171.47 2joz n ASP 122 N 3.35 0.09 -2.13 1.43 -0.08 -1.26 -5.00 116.55 112.96 2joz n ASP 122 Ca -0.18 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.10 2joz n ASP 122 Cb 0.57 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.03 2joz n ASP 122 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 2joz n GLU 123 N 0.00 -1.68 -3.65 -0.67 2.13 -1.26 -5.04 120.64 110.46 2joz n GLU 123 Ca 0.00 1.61 -0.20 0.00 0.66 0.00 0.00 57.16 59.23 2joz n GLU 123 Cb 0.00 -3.30 -0.17 0.00 0.27 0.00 0.00 31.44 28.24 2joz n GLU 123 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 2joz s LYS 124 N -1.01 -0.02 -0.26 5.31 0.00 -1.26 -5.12 119.74 117.38 2joz s LYS 124 Ca 0.02 0.35 -0.02 0.00 0.00 0.00 0.00 55.97 56.33 2joz s LYS 124 Cb -0.01 -0.67 0.15 0.00 0.00 0.00 0.00 37.83 37.30 2joz s LYS 124 CO 0.40 -0.39 0.44 -1.12 0.00 0.00 0.00 175.35 174.68 2joz s SER 125 N 2.20 -0.17 -0.10 0.03 0.01 -1.26 -4.99 113.70 109.41 2joz s SER 125 Ca 0.04 0.33 0.15 0.00 1.31 0.00 0.00 55.95 57.79 2joz s SER 125 Cb -0.13 1.38 0.23 0.00 0.21 0.00 0.00 66.02 67.72 2joz s SER 125 CO -0.05 -0.29 1.11 1.17 0.41 0.00 0.00 173.24 175.59 2joz n LYS 126 N 5.38 1.49 -3.01 12.44 4.81 -1.26 -4.94 118.16 133.07 2joz n LYS 126 Ca -0.02 -2.32 -0.44 0.00 -0.87 0.00 0.00 58.31 54.65 2joz n LYS 126 Cb 0.50 -1.37 -0.04 0.00 0.02 0.00 0.00 35.03 34.14 2joz n LYS 126 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2joz s SER 127 N -2.47 6.19 -0.50 3.14 0.01 -1.26 -4.97 113.70 113.83 2joz s SER 127 Ca 0.25 -1.15 0.03 0.00 1.31 0.00 0.00 55.95 56.40 2joz s SER 127 Cb 0.22 -2.35 0.14 0.00 0.21 0.00 0.00 66.02 64.24 2joz s SER 127 CO 0.02 -1.21 0.29 -0.22 0.41 0.00 0.00 173.24 172.53 2joz s LEU 128 N 3.25 3.41 0.14 2.44 2.96 -1.26 -5.10 118.68 124.52 2joz s LEU 128 Ca 0.17 -2.96 -0.31 0.00 -0.22 0.00 0.00 54.13 50.81 2joz s LEU 128 Cb -0.20 -1.26 -0.08 0.00 0.50 0.00 0.00 46.19 45.14 2joz s LEU 128 CO 0.09 -0.22 1.39 -0.70 -1.32 0.00 0.00 176.35 175.59 2joz s GLU 129 N -0.14 4.32 -0.30 1.98 2.56 -1.26 -4.99 118.70 120.88 2joz s GLU 129 Ca 0.20 2.10 -0.17 0.00 0.00 0.00 0.00 54.97 57.10 2joz s GLU 129 Cb -0.20 -3.23 0.18 0.00 2.00 0.00 0.00 34.13 32.89 2joz s GLU 129 CO -0.04 -0.41 1.16 -1.58 -0.56 0.00 0.00 175.26 173.83 2joz s HIS 130 N 0.87 -0.32 0.10 5.30 2.46 -1.26 -5.18 115.29 117.27 2joz s HIS 130 Ca 0.63 0.50 0.01 0.00 0.47 0.00 0.00 55.06 56.68 2joz s HIS 130 Cb -0.37 0.17 -0.04 0.00 -0.13 0.00 0.00 32.58 32.21 2joz s HIS 130 CO 0.32 -0.16 0.25 -1.01 -2.47 0.00 0.00 174.74 171.66 2joz s HIS 131 N 2.38 3.50 -0.05 3.88 3.76 -1.26 -5.11 115.29 122.39 2joz s HIS 131 Ca -0.01 0.18 0.02 0.00 -0.15 0.00 0.00 55.06 55.10 2joz s HIS 131 Cb -0.04 -1.71 0.01 0.00 1.11 0.00 0.00 32.58 31.94 2joz s HIS 131 CO -0.15 0.55 -0.10 -1.01 -0.85 0.00 0.00 174.74 173.18 2joz s HIS 132 N -1.62 1.22 0.00 1.40 3.76 -1.26 -5.05 115.29 113.74 2joz s HIS 132 Ca 0.35 -0.40 0.00 0.00 -0.15 0.00 0.00 55.06 54.86 2joz s HIS 132 Cb -0.12 -0.90 0.00 0.00 1.11 0.00 0.00 32.58 32.67 2joz s HIS 132 CO 0.28 -0.21 0.00 0.72 -0.85 0.00 0.00 174.74 174.68 2joz n HIS 133 N 3.69 0.00 0.00 1.40 8.25 -1.26 -5.01 115.22 122.29 2joz n HIS 133 Ca -0.22 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.24 2joz n HIS 133 Cb 0.52 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.63 2joz n HIS 133 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2joz n HIS 134 N -0.92 0.00 -1.33 4.41 8.25 -1.26 -5.39 115.22 118.98 2joz n HIS 134 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2joz n HIS 134 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2joz n HIS 134 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56