#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jya s SER 2 N 0.00 3.67 0.01 7.83 1.04 -1.25 -2.65 113.70 122.35 2jya s SER 2 Ca 0.00 -1.92 -0.06 0.00 0.48 0.00 0.00 55.95 54.46 2jya s SER 2 Cb 0.00 -0.74 -0.05 0.00 0.10 0.00 0.00 66.02 65.34 2jya s SER 2 CO 0.00 -0.36 0.25 0.00 0.98 0.00 0.00 173.24 174.11 2jya s ALA 3 N 1.29 3.87 -0.17 5.32 0.00 -0.30 -3.30 121.76 128.47 2jya s ALA 3 Ca 0.13 -0.62 -0.01 0.00 0.00 0.00 0.00 51.96 51.46 2jya s ALA 3 Cb -0.20 -2.03 -0.01 0.00 0.00 0.00 0.00 23.12 20.89 2jya s ALA 3 CO -0.16 0.67 -0.10 -1.59 0.00 0.00 0.00 175.76 174.58 2jya s LYS 4 N -1.82 3.35 -0.23 0.00 -2.85 0.23 -0.91 119.74 117.50 2jya s LYS 4 Ca 0.28 -0.67 -0.07 0.00 -1.00 0.00 0.00 55.97 54.51 2jya s LYS 4 Cb -0.13 -2.77 -0.03 0.00 -2.06 0.00 0.00 37.83 32.85 2jya s LYS 4 CO 0.17 0.02 0.04 0.42 0.10 0.00 0.00 175.35 176.10 2jya s ILE 5 N 0.86 4.17 0.30 3.79 1.01 -0.54 -1.73 121.20 129.06 2jya s ILE 5 Ca -0.03 -0.22 -0.06 0.00 0.00 0.00 0.00 60.65 60.33 2jya s ILE 5 Cb -0.15 -2.93 -0.00 0.00 0.01 0.00 0.00 42.46 39.39 2jya s ILE 5 CO 0.00 0.37 0.46 -0.72 0.00 0.00 0.00 174.94 175.05 2jya s TYR 6 N 1.41 0.80 -0.33 3.97 1.13 -0.55 -0.58 117.35 123.21 2jya s TYR 6 Ca 0.05 -1.09 0.02 0.00 -1.41 0.00 0.00 57.07 54.63 2jya s TYR 6 Cb -0.15 0.01 0.10 0.00 -1.10 0.00 0.00 41.96 40.82 2jya s TYR 6 CO 0.02 -1.06 0.08 0.50 -2.51 0.00 0.00 175.55 172.58 2jya s ARG 7 N -3.44 1.08 0.04 -3.49 3.52 -1.26 -0.04 118.95 115.37 2jya s ARG 7 Ca 0.28 -1.46 -0.30 0.00 -0.13 0.00 0.00 55.73 54.11 2jya s ARG 7 Cb -0.00 -2.57 -0.06 0.00 -1.56 0.00 0.00 34.95 30.76 2jya s ARG 7 CO 0.15 -0.97 1.41 -1.25 -0.81 0.00 0.00 175.30 173.83 2jya s PRO 8 N 1.27 4.29 0.01 5.12 0.04 -1.26 -4.39 135.00 140.09 2jya s PRO 8 Ca 0.10 2.01 -0.22 0.00 0.04 0.00 0.00 61.00 62.93 2jya s PRO 8 Cb -0.18 -3.48 -0.17 0.00 0.04 0.00 0.00 34.50 30.71 2jya s PRO 8 CO -0.17 -0.54 1.28 0.00 0.04 0.00 0.00 177.00 177.62 2jya h ALA 9 N 7.55 0.13 -2.40 8.56 0.00 -1.99 -3.41 119.26 127.70 2jya h ALA 9 Ca -0.39 -0.32 -0.62 0.00 0.00 0.00 0.00 54.91 53.58 2jya h ALA 9 Cb 1.19 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.83 2jya h ALA 9 CO 0.89 -0.01 0.16 -1.59 0.00 0.00 0.00 179.25 178.70 2jya s LYS 10 N -4.15 3.90 0.22 0.00 -2.85 -1.26 -5.00 119.74 110.59 2jya s LYS 10 Ca -0.15 0.30 -0.20 0.00 -1.00 0.00 0.00 55.97 54.92 2jya s LYS 10 Cb 0.04 -3.73 0.04 0.00 -2.06 0.00 0.00 37.83 32.11 2jya s LYS 10 CO 0.73 -0.58 0.61 -0.08 0.10 0.00 0.00 175.35 176.13 2jya s THR 11 N 2.62 0.01 -0.55 3.79 -1.32 -1.26 -5.10 115.64 113.82 2jya s THR 11 Ca 0.25 -0.65 -0.26 0.00 -1.21 0.00 0.00 61.69 59.82 2jya s THR 11 Cb -0.15 -1.57 -0.04 0.00 -1.51 0.00 0.00 72.50 69.23 2jya s THR 11 CO 0.12 -0.04 2.09 0.00 -2.21 0.00 0.00 174.62 174.58 2jya s ALA 12 N -3.86 1.96 0.14 11.08 0.00 -1.26 -4.93 121.76 124.88 2jya s ALA 12 Ca 0.08 -0.34 -0.31 0.00 0.00 0.00 0.00 51.96 51.38 2jya s ALA 12 Cb -0.03 -4.32 -0.10 0.00 0.00 0.00 0.00 23.12 18.68 2jya s ALA 12 CO -0.02 -4.11 1.66 0.00 0.00 0.00 0.00 175.76 173.29 2jya s MET 13 N 7.53 4.18 0.02 0.00 0.23 -1.26 -4.95 119.30 125.05 2jya s MET 13 Ca 0.80 2.43 -0.28 0.00 -1.03 0.00 0.00 55.69 57.61 2jya s MET 13 Cb -0.15 -3.35 -0.16 0.00 -1.53 0.00 0.00 34.83 29.65 2jya s MET 13 CO 0.23 -0.71 1.17 0.37 -2.03 0.00 0.00 175.02 174.06 2jya h GLN 14 N 7.55 -0.98 0.00 3.16 -0.00 -1.91 -3.48 115.11 119.45 2jya h GLN 14 Ca -0.43 0.07 0.00 0.00 -0.00 0.00 0.00 58.65 58.28 2jya h GLN 14 Cb 1.21 0.22 0.00 0.00 0.00 0.00 0.00 27.48 28.91 2jya h GLN 14 CO 0.93 -0.65 0.00 0.45 0.00 0.00 0.00 178.83 179.56 2jya n SER 15 N -5.45 0.00 0.00 -0.69 2.88 -1.26 -5.01 113.62 104.09 2jya n SER 15 Ca -0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.41 2jya n SER 15 Cb 0.40 0.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 2jya n SER 15 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jya n GLY 16 N -1.00 1.25 0.21 0.46 0.00 -1.26 -4.97 105.19 99.88 2jya n GLY 16 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2jya n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jya h THR 17 N 0.00 1.26 -1.74 2.61 1.03 -2.04 -3.44 112.91 110.59 2jya h THR 17 Ca 0.00 -1.21 -0.48 0.00 -0.01 0.00 0.00 66.41 64.71 2jya h THR 17 Cb 0.00 1.49 0.08 0.00 -1.07 0.00 0.00 68.15 68.65 2jya h THR 17 CO 0.00 0.37 0.08 0.00 -0.01 0.00 0.00 175.52 175.95 2jya s ALA 18 N -4.38 3.92 0.39 0.00 0.00 -1.26 -5.02 121.76 115.41 2jya s ALA 18 Ca -0.05 -1.91 0.19 0.00 0.00 0.00 0.00 51.96 50.20 2jya s ALA 18 Cb 0.14 -1.86 1.05 0.00 0.00 0.00 0.00 23.12 22.46 2jya s ALA 18 CO 0.75 -1.43 1.95 0.87 0.00 0.00 0.00 175.76 177.90 2jya h LYS 19 N -0.45 0.00 0.00 0.00 1.57 -2.03 -3.47 116.57 112.19 2jya h LYS 19 Ca -0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 2jya h LYS 19 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 2jya h LYS 19 CO 0.38 0.23 0.00 0.25 -0.57 0.00 0.00 179.45 179.74 2jya n THR 20 N -3.93 0.00 -2.21 -0.16 -2.24 -1.26 -4.58 114.28 99.90 2jya n THR 20 Ca -0.02 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.45 2jya n THR 20 Cb 0.31 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.50 2jya n THR 20 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2jya s ASN 21 N 0.00 5.57 0.50 3.42 -0.87 -1.26 -4.86 114.94 117.44 2jya s ASN 21 Ca 0.00 -1.04 0.07 0.00 -1.57 0.00 0.00 52.86 50.32 2jya s ASN 21 Cb 0.00 -2.57 0.02 0.00 -0.02 0.00 0.00 41.25 38.69 2jya s ASN 21 CO 0.00 -2.38 0.45 0.68 -2.57 0.00 0.00 177.10 173.28 2jya s VAL 22 N 8.55 2.10 -0.15 1.60 -7.23 -1.26 -5.00 120.40 119.01 2jya s VAL 22 Ca 0.63 -1.37 -0.22 0.00 -1.81 0.00 0.00 61.98 59.21 2jya s VAL 22 Cb -0.04 -2.47 -0.03 0.00 0.56 0.00 0.00 36.38 34.41 2jya s VAL 22 CO -0.02 0.00 0.67 0.26 -0.31 0.00 0.00 175.10 175.70 2jya s TRP 23 N -2.65 3.45 -0.12 2.82 0.52 -0.77 -4.02 118.94 118.18 2jya s TRP 23 Ca 0.43 1.06 -0.06 0.00 0.02 0.00 0.00 56.10 57.55 2jya s TRP 23 Cb -0.03 -2.81 -0.04 0.00 -1.15 0.00 0.00 33.47 29.44 2jya s TRP 23 CO 0.26 -0.08 0.11 0.08 0.02 0.00 0.00 176.95 177.34 2jya s VAL 24 N 1.52 5.26 -0.32 4.03 1.01 0.95 -1.09 120.40 131.76 2jya s VAL 24 Ca 0.32 0.12 -0.01 0.00 0.00 0.00 0.00 61.98 62.41 2jya s VAL 24 Cb -0.16 -3.29 0.07 0.00 0.00 0.00 0.00 36.38 32.99 2jya s VAL 24 CO 0.13 0.60 0.04 -0.22 0.00 0.00 0.00 175.10 175.64 2jya s LEU 25 N -0.86 4.20 -0.11 3.92 0.20 -0.05 -1.48 118.68 124.50 2jya s LEU 25 Ca 0.14 -1.50 0.02 0.00 0.69 0.00 0.00 54.13 53.47 2jya s LEU 25 Cb -0.12 -1.72 -0.01 0.00 -0.43 0.00 0.00 46.19 43.92 2jya s LEU 25 CO 0.03 -0.32 -0.17 -0.70 -0.29 0.00 0.00 176.35 174.90 2jya s GLU 26 N 1.19 3.22 0.03 1.98 2.12 -0.71 -1.17 118.70 125.37 2jya s GLU 26 Ca -0.02 -0.76 -0.02 0.00 0.36 0.00 0.00 54.97 54.53 2jya s GLU 26 Cb -0.20 -2.49 -0.02 0.00 0.26 0.00 0.00 34.13 31.67 2jya s GLU 26 CO -0.03 0.22 0.01 -0.59 -0.54 0.00 0.00 175.26 174.33 2jya s PHE 27 N 0.30 0.32 -0.14 5.30 -0.71 -0.80 -0.60 117.98 121.64 2jya s PHE 27 Ca -0.13 -0.68 -0.18 0.00 -1.04 0.00 0.00 56.93 54.90 2jya s PHE 27 Cb -0.16 -0.24 -0.04 0.00 -1.21 0.00 0.00 43.02 41.37 2jya s PHE 27 CO 0.07 -0.30 0.48 0.34 -1.34 0.00 0.00 175.22 174.47 2jya s ASP 28 N -2.09 6.63 0.60 1.98 2.15 -1.21 -2.22 116.67 122.52 2jya s ASP 28 Ca -0.06 0.75 -0.11 0.00 0.43 0.00 0.00 52.55 53.56 2jya s ASP 28 Cb -0.02 -2.28 -0.04 0.00 -0.30 0.00 0.00 42.92 40.28 2jya s ASP 28 CO -0.05 -0.05 1.02 0.00 -0.17 0.00 0.00 175.17 175.92 2jya s ALA 29 N 0.91 3.11 -2.00 3.66 0.00 -0.87 -3.80 121.76 122.77 2jya s ALA 29 Ca 0.25 -0.08 0.06 0.00 0.00 0.00 0.00 51.96 52.20 2jya s ALA 29 Cb -0.15 -3.07 0.39 0.00 0.00 0.00 0.00 23.12 20.29 2jya s ALA 29 CO 0.10 -0.63 1.23 -0.85 0.00 0.00 0.00 175.76 175.60 2jya n GLU 30 N -2.62 0.98 -1.61 0.00 0.00 -1.26 -4.89 120.64 111.24 2jya n GLU 30 Ca 0.06 0.00 -0.54 0.00 0.00 0.00 0.00 57.16 56.68 2jya n GLU 30 Cb 0.54 -1.10 -0.06 0.00 0.00 0.00 0.00 31.44 30.81 2jya n GLU 30 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 2jya n VAL 31 N -0.60 0.07 -1.30 3.84 3.14 -1.26 -4.99 118.33 117.22 2jya n VAL 31 Ca 0.05 -0.01 -0.29 0.00 -2.96 0.00 0.00 64.34 61.13 2jya n VAL 31 Cb 0.02 -0.86 0.17 0.00 -1.06 0.00 0.00 33.84 32.11 2jya n VAL 31 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 2jya s PRO 32 N 1.18 0.56 0.52 1.45 0.04 -1.26 -4.96 135.00 132.52 2jya s PRO 32 Ca 0.88 0.38 0.23 0.00 0.04 0.00 0.00 61.00 62.53 2jya s PRO 32 Cb -1.01 -1.76 1.40 0.00 0.04 0.00 0.00 34.50 33.17 2jya s PRO 32 CO 0.52 -2.61 2.10 0.07 0.04 0.00 0.00 177.00 177.12 2jya h ARG 33 N -1.80 0.00 -6.27 4.56 0.11 -2.02 -3.39 114.38 105.57 2jya h ARG 33 Ca -0.53 0.00 -0.53 0.00 0.10 0.00 0.00 59.98 59.02 2jya h ARG 33 Cb 1.33 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 32.34 2jya h ARG 33 CO 0.58 0.10 1.14 0.15 0.10 0.00 0.00 179.97 182.04 2jya s LYS 34 N -4.50 3.11 0.49 0.08 -0.14 -1.26 -4.97 119.74 112.55 2jya s LYS 34 Ca -0.04 -0.16 0.02 0.00 -1.36 0.00 0.00 55.97 54.42 2jya s LYS 34 Cb 0.15 -4.32 -0.01 0.00 -1.68 0.00 0.00 37.83 31.97 2jya s LYS 34 CO 0.61 -2.27 0.05 0.96 -0.76 0.00 0.00 175.35 173.94 2jya s ILE 35 N 6.32 0.84 0.09 2.17 -4.36 -1.26 -5.11 121.20 119.89 2jya s ILE 35 Ca 0.42 -2.00 -0.31 0.00 -0.26 0.00 0.00 60.65 58.50 2jya s ILE 35 Cb -0.08 -2.11 -0.10 0.00 1.25 0.00 0.00 42.46 41.42 2jya s ILE 35 CO 0.14 0.00 1.89 -0.62 0.24 0.00 0.00 174.94 176.59 2jya s ASP 36 N -3.81 6.43 0.58 4.36 2.15 -1.26 -4.89 116.67 120.23 2jya s ASP 36 Ca 0.08 2.73 0.28 0.00 0.43 0.00 0.00 52.55 56.08 2jya s ASP 36 Cb 0.01 -2.55 1.57 0.00 -0.30 0.00 0.00 42.92 41.65 2jya s ASP 36 CO 0.06 -1.03 2.02 1.55 -0.17 0.00 0.00 175.17 177.60 2jya h PRO 37 N 9.40 0.00 0.00 4.34 0.13 -1.99 -1.78 132.00 142.10 2jya h PRO 37 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2jya h PRO 37 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2jya h PRO 37 CO 0.95 0.00 0.00 -0.89 -0.23 0.00 0.00 178.00 177.83 2jya n ILE 38 N -3.82 0.00 0.97 -3.56 5.41 -1.26 -4.61 119.36 112.48 2jya n ILE 38 Ca 0.04 0.00 0.11 0.00 1.00 0.00 0.00 62.75 63.90 2jya n ILE 38 Cb 0.46 -0.08 0.32 0.00 -0.71 0.00 0.00 39.64 39.63 2jya n ILE 38 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 176.55 177.70 2jya n MET 39 N -0.44 1.97 0.10 0.38 0.00 -1.26 -4.10 117.12 113.77 2jya n MET 39 Ca 0.00 -1.46 0.10 0.00 0.00 0.00 0.00 57.70 56.34 2jya n MET 39 Cb 0.00 -1.43 0.44 0.00 0.00 0.00 0.00 33.22 32.23 2jya n MET 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2jya n GLY 40 N 1.25 -1.07 0.36 3.17 0.00 -0.67 -1.90 105.19 106.32 2jya n GLY 40 Ca 0.17 0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.36 2jya n GLY 40 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2jya h TYR 41 N 0.00 0.77 -3.45 1.61 3.20 -1.78 -3.30 116.97 114.02 2jya h TYR 41 Ca 0.00 0.02 -0.70 0.00 3.14 0.00 0.00 58.73 61.19 2jya h TYR 41 Cb 0.23 -0.25 -0.33 0.00 1.54 0.00 0.00 36.73 37.92 2jya h TYR 41 CO 0.00 0.37 -0.51 0.95 -1.64 0.00 0.00 178.16 177.33 2jya s THR 42 N -5.66 3.50 -0.20 1.81 -4.23 -0.80 -4.98 115.64 105.08 2jya s THR 42 Ca -0.10 -2.03 0.25 0.00 -1.18 0.00 0.00 61.69 58.63 2jya s THR 42 Cb 0.20 -3.37 0.25 0.00 1.34 0.00 0.00 72.50 70.92 2jya s THR 42 CO 0.78 -0.72 1.75 -1.28 -0.54 0.00 0.00 174.62 174.61 2jya h SER 43 N 8.10 0.00 -0.44 3.99 0.87 -1.76 -3.40 113.55 120.91 2jya h SER 43 Ca -0.14 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.24 2jya h SER 43 Cb 1.05 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.98 2jya h SER 43 CO 0.73 0.00 0.50 -0.55 -0.53 0.00 0.00 176.83 176.98 2jya s SER 44 N -4.28 4.45 0.14 6.23 0.15 -1.26 -4.84 113.70 114.30 2jya s SER 44 Ca -0.00 -0.79 -0.00 0.00 0.70 0.00 0.00 55.95 55.86 2jya s SER 44 Cb 0.08 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 2jya s SER 44 CO 0.29 -3.52 0.18 -1.20 1.20 0.00 0.00 173.24 170.19 2jya n SER 45 N 16.42 -0.51 0.19 5.45 7.64 -1.26 -5.04 113.62 136.52 2jya n SER 45 Ca 0.43 -1.76 0.14 0.00 1.01 0.00 0.00 58.87 58.69 2jya n SER 45 Cb 0.46 0.96 0.43 0.00 -1.01 0.00 0.00 64.21 65.05 2jya n SER 45 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2jya h ASP 46 N 0.78 0.00 -3.28 6.43 5.19 -1.98 -3.44 116.42 120.12 2jya h ASP 46 Ca -0.11 0.00 -0.54 0.00 -0.62 0.00 0.00 57.03 55.76 2jya h ASP 46 Cb 0.47 0.00 0.09 0.00 0.18 0.00 0.00 39.33 40.07 2jya h ASP 46 CO 0.14 0.00 0.81 0.23 -3.12 0.00 0.00 179.24 177.31 2jya n MET 47 N -2.75 2.58 -1.58 3.56 2.81 -1.26 -4.94 117.12 115.53 2jya n MET 47 Ca 0.03 0.92 -0.49 0.00 -1.81 0.00 0.00 57.70 56.34 2jya n MET 47 Cb 0.39 -2.67 -0.04 0.00 -0.71 0.00 0.00 33.22 30.19 2jya n MET 47 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 2jya n LYS 48 N 1.85 1.20 -0.24 0.03 0.00 -1.26 -4.95 118.16 114.79 2jya n LYS 48 Ca 0.08 0.43 0.00 0.00 -0.00 0.00 0.00 58.31 58.82 2jya n LYS 48 Cb 0.36 -1.96 0.00 0.00 -0.00 0.00 0.00 35.03 33.43 2jya n LYS 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2jya n GLN 49 N 1.92 0.00 -0.94 -1.58 10.64 -1.26 -4.65 117.38 121.50 2jya n GLN 49 Ca 0.15 0.00 -0.24 0.00 -1.83 0.00 0.00 57.00 55.09 2jya n GLN 49 Cb 0.24 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.56 2jya n GLN 49 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2jya n GLN 50 N 0.00 2.46 -1.17 2.61 10.64 -1.26 -2.06 117.38 128.61 2jya n GLN 50 Ca 0.00 -1.49 -0.31 0.00 -1.83 0.00 0.00 57.00 53.37 2jya n GLN 50 Cb 0.00 -2.39 0.11 0.00 -0.86 0.00 0.00 30.24 27.10 2jya n GLN 50 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 2jya s VAL 51 N 2.39 3.04 -0.02 -0.39 1.01 -0.94 -4.58 120.40 120.91 2jya s VAL 51 Ca 0.53 0.34 0.03 0.00 0.00 0.00 0.00 61.98 62.88 2jya s VAL 51 Cb 0.17 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.80 2jya s VAL 51 CO -0.03 -0.44 -0.10 -1.59 0.00 0.00 0.00 175.10 172.94 2jya s LYS 52 N -4.87 0.97 0.05 2.72 -2.85 -1.26 -1.91 119.74 112.59 2jya s LYS 52 Ca 0.62 -0.34 0.09 0.00 -1.00 0.00 0.00 55.97 55.35 2jya s LYS 52 Cb -0.18 -0.91 -0.03 0.00 -2.06 0.00 0.00 37.83 34.65 2jya s LYS 52 CO 0.57 0.15 -0.26 -0.51 0.10 0.00 0.00 175.35 175.39 2jya s LEU 53 N 0.08 2.17 -0.15 2.77 1.02 -0.32 -4.95 118.68 119.31 2jya s LEU 53 Ca -0.01 -0.60 -0.02 0.00 0.02 0.00 0.00 54.13 53.52 2jya s LEU 53 Cb -0.08 -1.28 -0.02 0.00 0.02 0.00 0.00 46.19 44.84 2jya s LEU 53 CO 0.00 0.25 -0.08 0.42 0.02 0.00 0.00 176.35 176.96 2jya s THR 54 N -0.82 3.43 0.18 5.49 -4.23 -1.26 -0.87 115.64 117.55 2jya s THR 54 Ca 0.12 -0.52 0.08 0.00 -1.18 0.00 0.00 61.69 60.19 2jya s THR 54 Cb -0.10 -2.48 -0.04 0.00 1.34 0.00 0.00 72.50 71.22 2jya s THR 54 CO 0.02 0.50 -0.17 -0.36 -0.54 0.00 0.00 174.62 174.07 2jya s PHE 55 N 0.48 1.80 0.20 3.99 0.08 -0.25 -5.00 117.98 119.28 2jya s PHE 55 Ca -0.06 -0.49 -0.10 0.00 0.12 0.00 0.00 56.93 56.40 2jya s PHE 55 Cb -0.15 -0.88 0.14 0.00 -0.57 0.00 0.00 43.02 41.56 2jya s PHE 55 CO 0.04 0.35 1.83 0.93 -0.10 0.00 0.00 175.22 178.26 2jya h GLU 56 N 3.05 1.02 -4.74 0.44 4.39 -1.98 -2.03 114.58 114.73 2jya h GLU 56 Ca -0.41 -0.11 -0.29 0.00 0.34 0.00 0.00 59.36 58.89 2jya h GLU 56 Cb 1.21 -0.20 -0.15 0.00 -0.10 0.00 0.00 28.75 29.51 2jya h GLU 56 CO 0.54 0.75 -0.63 0.95 -1.16 0.00 0.00 179.01 179.46 2jya s THR 57 N -5.89 0.40 0.28 1.13 -4.23 -1.26 -4.49 115.64 101.58 2jya s THR 57 Ca -0.13 -1.98 -0.02 0.00 -1.18 0.00 0.00 61.69 58.38 2jya s THR 57 Cb 0.15 -2.41 0.17 0.00 1.34 0.00 0.00 72.50 71.74 2jya s THR 57 CO 0.80 -0.17 1.84 -0.61 -0.54 0.00 0.00 174.62 175.93 2jya h GLN 58 N 2.57 0.89 -0.89 3.99 4.15 -1.95 -3.17 115.11 120.69 2jya h GLN 58 Ca -0.37 -0.16 0.04 0.00 0.77 0.00 0.00 58.65 58.92 2jya h GLN 58 Cb 1.23 -0.14 -0.05 0.00 0.21 0.00 0.00 27.48 28.73 2jya h GLN 58 CO 0.59 0.76 0.58 0.93 -1.93 0.00 0.00 178.83 179.76 2jya h GLU 59 N 0.86 1.08 0.00 1.69 4.39 -1.99 -0.38 114.58 120.23 2jya h GLU 59 Ca 0.20 -0.07 -0.10 0.00 0.34 0.00 0.00 59.36 59.73 2jya h GLU 59 Cb 0.25 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2jya h GLU 59 CO -0.01 0.72 -0.49 1.96 -1.16 0.00 0.00 179.01 180.02 2jya h GLN 60 N 1.11 0.00 0.10 2.33 4.20 -1.98 -1.79 115.11 119.09 2jya h GLN 60 Ca 0.36 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.81 2jya h GLN 60 Cb 0.02 0.00 0.03 0.00 0.30 0.00 0.00 27.48 27.83 2jya h GLN 60 CO -0.12 0.49 -1.09 0.00 -0.67 0.00 0.00 178.83 177.44 2jya h ALA 61 N 1.51 -0.00 -0.13 3.87 0.00 -1.34 -2.96 119.26 120.21 2jya h ALA 61 Ca -0.00 -0.73 -0.22 0.00 0.00 0.00 0.00 54.91 53.96 2jya h ALA 61 Cb 0.90 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.79 2jya h ALA 61 CO 0.06 0.60 -0.77 1.05 0.00 0.00 0.00 179.25 180.19 2jya h GLU 62 N 0.15 0.70 -0.67 0.00 -0.00 -1.10 -2.06 114.58 111.59 2jya h GLU 62 Ca -0.17 -0.57 0.04 0.00 -0.00 0.00 0.00 59.36 58.66 2jya h GLU 62 Cb 1.79 0.12 -0.04 0.00 -0.00 0.00 0.00 28.75 30.62 2jya h GLU 62 CO 0.21 1.19 0.44 0.00 -0.00 0.00 0.00 179.01 180.85 2jya h ALA 63 N 0.65 1.64 0.65 1.06 0.00 -1.44 -1.53 119.26 120.29 2jya h ALA 63 Ca -0.05 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2jya h ALA 63 Cb 1.39 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.97 2jya h ALA 63 CO 0.15 0.29 -0.31 -0.92 0.00 0.00 0.00 179.25 178.46 2jya h TYR 64 N 0.79 -0.81 -0.32 0.00 3.20 -1.32 -2.71 116.97 115.80 2jya h TYR 64 Ca 0.27 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.18 2jya h TYR 64 Cb 0.08 0.27 -0.06 0.00 1.54 0.00 0.00 36.73 38.56 2jya h TYR 64 CO -0.00 -0.46 -0.08 0.00 -1.64 0.00 0.00 178.16 175.97 2jya h ALA 65 N -0.93 0.21 -0.75 1.82 0.00 -1.24 -2.10 119.26 116.28 2jya h ALA 65 Ca -0.09 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2jya h ALA 65 Cb 0.71 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 2jya h ALA 65 CO 0.15 -0.47 0.46 1.96 0.00 0.00 0.00 179.25 181.36 2jya h GLN 66 N -0.01 1.00 -0.03 0.00 4.20 -1.39 0.41 115.11 119.30 2jya h GLN 66 Ca 0.15 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 2jya h GLN 66 Cb 0.24 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 2jya h GLN 66 CO -0.33 0.69 -0.08 -0.09 -0.67 0.00 0.00 178.83 178.36 2jya h ARG 67 N 1.02 0.04 0.00 1.46 2.43 -1.12 -1.98 114.38 116.23 2jya h ARG 67 Ca 0.27 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 2jya h ARG 67 Cb -0.06 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 2jya h ARG 67 CO -0.05 0.13 -0.97 1.63 -1.51 0.00 0.00 179.97 179.19 2jya n LYS 68 N -4.42 0.27 -0.63 0.20 4.76 -0.81 -4.96 118.16 112.56 2jya n LYS 68 Ca -0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 2jya n LYS 68 Cb 0.17 -1.59 0.00 0.00 -1.84 0.00 0.00 35.03 31.77 2jya n LYS 68 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2jya n GLY 69 N 1.38 0.79 3.61 0.72 0.00 0.41 -5.02 105.19 107.07 2jya n GLY 69 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 2jya n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jya s ILE 70 N -3.00 3.14 0.25 -0.61 1.01 0.12 -4.86 121.20 117.25 2jya s ILE 70 Ca 0.00 0.15 -0.31 0.00 0.00 0.00 0.00 60.65 60.50 2jya s ILE 70 Cb 0.00 -3.17 -0.11 0.00 0.01 0.00 0.00 42.46 39.18 2jya s ILE 70 CO 0.00 -0.10 1.61 -1.83 0.00 0.00 0.00 174.94 174.63 2jya s GLU 71 N 5.82 4.14 0.01 2.79 -1.05 -1.08 -4.20 118.70 125.13 2jya s GLU 71 Ca 0.93 2.54 0.01 0.00 -0.15 0.00 0.00 54.97 58.30 2jya s GLU 71 Cb -0.32 -3.06 -0.01 0.00 -0.44 0.00 0.00 34.13 30.31 2jya s GLU 71 CO 0.35 -0.64 -0.03 1.52 0.95 0.00 0.00 175.26 177.41 2jya s TYR 72 N 0.41 0.23 -0.33 4.83 1.13 -1.26 -1.15 117.35 121.21 2jya s TYR 72 Ca 0.67 -0.20 -0.06 0.00 -1.41 0.00 0.00 57.07 56.06 2jya s TYR 72 Cb -0.47 -0.15 0.04 0.00 -1.10 0.00 0.00 41.96 40.27 2jya s TYR 72 CO 0.42 -0.06 0.09 0.50 -2.51 0.00 0.00 175.55 173.98 2jya s ARG 73 N -0.56 2.65 -0.06 -3.49 6.06 -0.09 -4.98 118.95 118.48 2jya s ARG 73 Ca -0.05 -1.15 -0.26 0.00 -2.50 0.00 0.00 55.73 51.77 2jya s ARG 73 Cb -0.04 -3.41 -0.03 0.00 0.06 0.00 0.00 34.95 31.53 2jya s ARG 73 CO -0.00 -0.63 0.82 0.14 -2.50 0.00 0.00 175.30 173.13 2jya s VAL 74 N 1.39 4.96 -0.13 7.11 -7.23 -1.26 -1.46 120.40 123.77 2jya s VAL 74 Ca -0.02 1.69 0.03 0.00 -1.81 0.00 0.00 61.98 61.87 2jya s VAL 74 Cb -0.19 -4.16 0.01 0.00 0.56 0.00 0.00 36.38 32.60 2jya s VAL 74 CO 0.02 0.18 -0.22 -0.63 -0.31 0.00 0.00 175.10 174.15 2jya s ILE 75 N 1.10 2.13 0.67 -0.62 1.09 0.26 -4.94 121.20 120.89 2jya s ILE 75 Ca 0.43 -0.96 -0.11 0.00 -1.10 0.00 0.00 60.65 58.90 2jya s ILE 75 Cb -0.19 -1.85 -0.01 0.00 -1.06 0.00 0.00 42.46 39.36 2jya s ILE 75 CO 0.21 0.55 1.05 -0.76 -0.10 0.00 0.00 174.94 175.88 2jya s LEU 76 N 0.69 3.17 1.10 2.97 1.43 -1.26 -3.93 118.68 122.84 2jya s LEU 76 Ca -0.10 1.56 -0.12 0.00 -1.03 0.00 0.00 54.13 54.44 2jya s LEU 76 Cb -0.16 -4.49 0.25 0.00 0.03 0.00 0.00 46.19 41.82 2jya s LEU 76 CO 0.01 -1.26 1.06 -2.16 0.23 0.00 0.00 176.35 174.23 2jya s PRO 77 N -5.07 -0.40 0.00 1.29 0.04 -1.26 -4.71 135.00 124.89 2jya s PRO 77 Ca 0.57 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.63 2jya s PRO 77 Cb -0.13 -1.60 0.00 0.00 0.04 0.00 0.00 34.50 32.81 2jya s PRO 77 CO 0.54 -3.43 0.38 0.36 0.04 0.00 0.00 177.00 174.90 2jya n LYS 78 N -4.73 0.42 -0.20 4.56 -0.00 -1.26 -1.90 118.16 115.05 2jya n LYS 78 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.36 2jya n LYS 78 Cb 0.54 -1.04 0.00 0.00 -0.00 0.00 0.00 35.03 34.53 2jya n LYS 78 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 2jya n GLU 79 N -0.36 0.00 0.00 -1.58 0.28 -1.26 -5.20 120.64 112.52 2jya n GLU 79 Ca 0.00 -0.52 0.08 0.00 -0.16 0.00 0.00 57.16 56.56 2jya n GLU 79 Cb 0.02 -0.37 0.07 0.00 1.43 0.00 0.00 31.44 32.58 2jya n GLU 79 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97