#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 2.93 -0.14 7.83 0.15 -1.26 -2.95 113.70 120.26 2jya s SER 2 Ca 0.00 -0.54 -0.08 0.00 0.70 0.00 0.00 55.95 56.04 2jya s SER 2 Cb 0.00 -1.34 -0.04 0.00 -1.71 0.00 0.00 66.02 62.92 2jya s SER 2 CO 0.00 0.12 0.13 0.00 1.20 0.00 0.00 173.24 174.70 2jya s ALA 3 N 0.51 3.81 -0.24 5.45 0.00 -0.04 -2.70 121.76 128.55 2jya s ALA 3 Ca -0.15 -0.66 -0.06 0.00 0.00 0.00 0.00 51.96 51.09 2jya s ALA 3 Cb -0.17 -2.01 -0.02 0.00 0.00 0.00 0.00 23.12 20.92 2jya s ALA 3 CO 0.06 0.50 0.02 -1.59 0.00 0.00 0.00 175.76 174.75 2jya s LYS 4 N -0.66 3.54 -0.22 0.00 -2.85 0.45 -1.28 119.74 118.71 2jya s LYS 4 Ca 0.13 -0.54 -0.07 0.00 -1.00 0.00 0.00 55.97 54.49 2jya s LYS 4 Cb -0.12 -3.19 -0.03 0.00 -2.06 0.00 0.00 37.83 32.43 2jya s LYS 4 CO 0.02 -0.19 0.06 0.42 0.10 0.00 0.00 175.35 175.76 2jya s ILE 5 N 1.56 4.43 0.30 3.79 1.09 -0.69 -2.13 121.20 129.55 2jya s ILE 5 Ca 0.06 -0.14 -0.15 0.00 -1.10 0.00 0.00 60.65 59.32 2jya s ILE 5 Cb -0.15 -3.04 0.02 0.00 -1.06 0.00 0.00 42.46 38.23 2jya s ILE 5 CO 0.01 0.38 0.63 -0.72 -0.10 0.00 0.00 174.94 175.14 2jya s TYR 6 N 1.18 0.19 -0.32 3.97 1.13 -0.93 -0.77 117.35 121.80 2jya s TYR 6 Ca 0.04 -0.63 -0.01 0.00 -1.41 0.00 0.00 57.07 55.05 2jya s TYR 6 Cb -0.14 0.48 0.11 0.00 -1.10 0.00 0.00 41.96 41.31 2jya s TYR 6 CO 0.03 -1.22 0.15 0.50 -2.51 0.00 0.00 175.55 172.50 2jya s ARG 7 N -3.53 0.55 0.52 -3.49 3.52 -1.26 -0.40 118.95 114.85 2jya s ARG 7 Ca 0.18 -1.02 -0.17 0.00 -0.13 0.00 0.00 55.73 54.58 2jya s ARG 7 Cb -0.03 -1.59 -0.08 0.00 -1.56 0.00 0.00 34.95 31.69 2jya s ARG 7 CO 0.10 -1.06 1.00 -1.25 -0.81 0.00 0.00 175.30 173.28 2jya s PRO 8 N 1.55 3.85 0.17 5.12 0.04 -1.26 -4.41 135.00 140.07 2jya s PRO 8 Ca 0.12 1.06 0.18 0.00 0.04 0.00 0.00 61.00 62.40 2jya s PRO 8 Cb -0.19 -2.12 0.82 0.00 0.04 0.00 0.00 34.50 33.05 2jya s PRO 8 CO -0.22 -0.35 1.56 0.00 0.04 0.00 0.00 177.00 178.03 2jya n ALA 9 N -1.49 1.48 -3.91 8.56 0.00 -1.26 -4.42 120.51 119.47 2jya n ALA 9 Ca 0.07 0.06 -0.33 0.00 0.00 0.00 0.00 53.44 53.24 2jya n ALA 9 Cb 0.54 -1.29 -0.15 0.00 0.00 0.00 0.00 19.45 18.55 2jya n ALA 9 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2jya s LYS 10 N -3.24 2.36 0.00 0.00 -2.85 -1.26 -4.82 119.74 109.93 2jya s LYS 10 Ca 0.03 -1.28 0.00 0.00 -1.00 0.00 0.00 55.97 53.72 2jya s LYS 10 Cb 0.08 -2.98 0.00 0.00 -2.06 0.00 0.00 37.83 32.86 2jya s LYS 10 CO 0.28 -0.56 0.00 0.25 0.10 0.00 0.00 175.35 175.42 2jya n THR 11 N 4.52 0.00 -3.34 3.79 -2.24 -1.26 -5.02 114.28 110.72 2jya n THR 11 Ca -0.14 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.47 2jya n THR 11 Cb 0.43 0.00 0.08 0.00 -2.10 0.00 0.00 70.33 68.74 2jya n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jya n ALA 12 N -1.43 -1.65 -2.24 6.98 0.00 -1.14 -4.99 120.51 116.04 2jya n ALA 12 Ca 0.00 0.06 -0.40 0.00 0.00 0.00 0.00 53.44 53.10 2jya n ALA 12 Cb 0.00 -2.99 -0.05 0.00 0.00 0.00 0.00 19.45 16.41 2jya n ALA 12 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2jya s MET 13 N -5.48 4.53 -0.41 0.00 -1.94 -1.13 -5.05 119.30 109.82 2jya s MET 13 Ca 0.14 1.12 0.02 0.00 -1.71 0.00 0.00 55.69 55.26 2jya s MET 13 Cb -0.06 -3.33 0.13 0.00 2.01 0.00 0.00 34.83 33.58 2jya s MET 13 CO 0.66 0.38 0.20 -0.65 -0.01 0.00 0.00 175.02 175.60 2jya s GLN 14 N -0.44 1.21 0.05 2.03 -1.52 -1.26 -4.09 119.66 115.64 2jya s GLN 14 Ca 0.38 -1.84 -0.28 0.00 -1.95 0.00 0.00 55.36 51.67 2jya s GLN 14 Cb -0.22 -2.36 0.09 0.00 -0.22 0.00 0.00 33.01 30.31 2jya s GLN 14 CO 0.25 -1.11 1.06 0.45 -0.25 0.00 0.00 175.29 175.69 2jya s SER 15 N 0.61 -0.17 0.28 5.90 0.15 -1.23 -4.95 113.70 114.29 2jya s SER 15 Ca 0.16 -0.23 0.14 0.00 0.70 0.00 0.00 55.95 56.72 2jya s SER 15 Cb -0.23 0.35 0.30 0.00 -1.71 0.00 0.00 66.02 64.73 2jya s SER 15 CO -0.05 -0.62 1.56 1.23 1.20 0.00 0.00 173.24 176.55 2jya h GLY 16 N 2.00 0.00 1.67 9.45 0.00 -2.01 -3.13 103.07 111.04 2jya h GLY 16 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.09 2jya h GLY 16 CO 0.27 0.00 -0.32 0.00 0.00 0.00 0.00 176.54 176.49 2jya h THR 17 N 0.00 0.00 -3.74 4.70 1.03 -2.03 -3.44 112.91 109.43 2jya h THR 17 Ca -0.01 -0.93 -0.68 0.00 -0.01 0.00 0.00 66.41 64.79 2jya h THR 17 Cb 1.22 1.76 -0.34 0.00 -1.07 0.00 0.00 68.15 69.72 2jya h THR 17 CO 0.08 0.00 -0.74 0.00 -0.01 0.00 0.00 175.52 174.84 2jya s ALA 18 N -3.24 2.71 0.45 0.00 0.00 -1.18 -5.06 121.76 115.43 2jya s ALA 18 Ca 0.05 -1.70 -0.25 0.00 0.00 0.00 0.00 51.96 50.06 2jya s ALA 18 Cb 0.07 -1.77 -0.08 0.00 0.00 0.00 0.00 23.12 21.34 2jya s ALA 18 CO 0.70 -1.15 1.38 0.15 0.00 0.00 0.00 175.76 176.84 2jya s LYS 19 N 1.22 3.69 0.39 0.00 -0.14 -1.26 -3.54 119.74 120.11 2jya s LYS 19 Ca -0.05 2.31 0.15 0.00 -1.36 0.00 0.00 55.97 57.02 2jya s LYS 19 Cb -0.19 -2.63 1.01 0.00 -1.68 0.00 0.00 37.83 34.34 2jya s LYS 19 CO -0.03 -0.77 1.84 1.79 -0.76 0.00 0.00 175.35 177.42 2jya h THR 20 N 2.23 0.69 -3.25 2.17 1.35 -1.90 -3.32 112.91 110.88 2jya h THR 20 Ca -0.50 -0.17 -0.67 0.00 -0.55 0.00 0.00 66.41 64.52 2jya h THR 20 Cb 1.26 0.16 -0.34 0.00 -1.73 0.00 0.00 68.15 67.51 2jya h THR 20 CO 0.61 0.09 -0.87 0.20 -0.25 0.00 0.00 175.52 175.30 2jya s ASN 21 N -5.61 3.03 0.21 5.36 0.02 -1.26 -2.82 114.94 113.87 2jya s ASN 21 Ca -0.09 -0.57 0.11 0.00 -1.02 0.00 0.00 52.86 51.29 2jya s ASN 21 Cb 0.23 -1.40 -0.05 0.00 0.02 0.00 0.00 41.25 40.06 2jya s ASN 21 CO 0.79 0.10 -0.23 0.54 0.02 0.00 0.00 177.10 178.32 2jya s VAL 22 N 0.69 2.33 -0.10 1.60 0.11 -1.25 -5.05 120.40 118.73 2jya s VAL 22 Ca -0.11 -2.10 -0.30 0.00 -2.93 0.00 0.00 61.98 56.55 2jya s VAL 22 Cb -0.16 -2.14 -0.03 0.00 -1.53 0.00 0.00 36.38 32.53 2jya s VAL 22 CO 0.01 -0.20 1.24 0.26 -3.33 0.00 0.00 175.10 173.08 2jya s TRP 23 N -1.89 3.02 -0.13 1.54 0.52 -0.99 -4.32 118.94 116.70 2jya s TRP 23 Ca 0.22 1.10 -0.06 0.00 0.02 0.00 0.00 56.10 57.38 2jya s TRP 23 Cb -0.07 -3.47 -0.04 0.00 -1.15 0.00 0.00 33.47 28.74 2jya s TRP 23 CO 0.11 -1.55 0.11 0.08 0.02 0.00 0.00 176.95 175.72 2jya s VAL 24 N 2.76 5.24 -0.33 4.03 1.01 0.46 -1.62 120.40 131.95 2jya s VAL 24 Ca 0.56 0.11 -0.00 0.00 0.00 0.00 0.00 61.98 62.65 2jya s VAL 24 Cb -0.24 -3.29 0.08 0.00 0.00 0.00 0.00 36.38 32.93 2jya s VAL 24 CO 0.19 0.59 0.05 -0.22 0.00 0.00 0.00 175.10 175.71 2jya s LEU 25 N -0.78 4.37 -0.10 3.92 2.96 0.13 -2.19 118.68 126.99 2jya s LEU 25 Ca 0.13 -1.67 -0.03 0.00 -0.22 0.00 0.00 54.13 52.34 2jya s LEU 25 Cb -0.12 -1.70 -0.03 0.00 0.50 0.00 0.00 46.19 44.83 2jya s LEU 25 CO 0.03 -0.35 0.01 -1.61 -1.32 0.00 0.00 176.35 173.11 2jya s GLU 26 N 1.13 3.18 0.03 1.98 2.02 -0.91 -1.07 118.70 125.07 2jya s GLU 26 Ca 0.01 -0.40 -0.06 0.00 0.02 0.00 0.00 54.97 54.54 2jya s GLU 26 Cb -0.20 -2.86 -0.01 0.00 0.10 0.00 0.00 34.13 31.15 2jya s GLU 26 CO -0.04 0.61 0.10 -0.59 0.02 0.00 0.00 175.26 175.37 2jya s PHE 27 N -0.62 0.17 -0.46 1.61 -0.71 -1.12 -0.42 117.98 116.43 2jya s PHE 27 Ca 0.10 -0.44 -0.27 0.00 -1.04 0.00 0.00 56.93 55.29 2jya s PHE 27 Cb -0.12 -0.12 -0.05 0.00 -1.21 0.00 0.00 43.02 41.52 2jya s PHE 27 CO 0.02 -0.35 2.15 0.34 -1.34 0.00 0.00 175.22 176.04 2jya s ASP 28 N -2.00 5.00 -0.00 1.98 2.15 -1.10 -3.53 116.67 119.17 2jya s ASP 28 Ca -0.07 1.03 -0.34 0.00 0.43 0.00 0.00 52.55 53.61 2jya s ASP 28 Cb -0.02 -2.51 -0.12 0.00 -0.30 0.00 0.00 42.92 39.96 2jya s ASP 28 CO -0.04 -2.45 1.78 0.00 -0.17 0.00 0.00 175.17 174.29 2jya n ALA 29 N 13.69 1.06 1.08 3.66 0.00 -0.32 -4.56 120.51 135.10 2jya n ALA 29 Ca 0.29 0.34 0.06 0.00 0.00 0.00 0.00 53.44 54.13 2jya n ALA 29 Cb 0.52 -2.45 0.35 0.00 0.00 0.00 0.00 19.45 17.87 2jya n ALA 29 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2jya n GLU 30 N 5.59 0.54 -3.15 0.00 0.00 -1.26 -4.67 120.64 117.69 2jya n GLU 30 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 57.16 56.98 2jya n GLU 30 Cb 0.30 -1.35 -0.05 0.00 0.00 0.00 0.00 31.44 30.34 2jya n GLU 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2jya s VAL 31 N -2.00 5.00 0.00 3.84 0.11 -1.26 -5.10 120.40 120.99 2jya s VAL 31 Ca 0.18 1.29 0.00 0.00 -2.93 0.00 0.00 61.98 60.52 2jya s VAL 31 Cb 0.08 -3.96 0.00 0.00 -1.53 0.00 0.00 36.38 30.97 2jya s VAL 31 CO 0.14 0.34 0.00 -0.81 -3.33 0.00 0.00 175.10 171.44 2jya n PRO 32 N 3.28 1.13 0.14 1.54 -0.04 -1.26 -4.45 135.00 135.33 2jya n PRO 32 Ca -0.05 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.53 2jya n PRO 32 Cb 0.51 0.00 0.50 0.00 -0.04 0.00 0.00 33.50 34.48 2jya n PRO 32 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2jya n ARG 33 N 0.00 0.19 -2.33 0.54 1.85 -1.22 -4.39 116.66 111.29 2jya n ARG 33 Ca 0.00 0.45 -0.35 0.00 -1.00 0.00 0.00 57.85 56.95 2jya n ARG 33 Cb 0.00 -1.89 -0.04 0.00 -1.05 0.00 0.00 32.46 29.49 2jya n ARG 33 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2jya s LYS 34 N -3.35 3.17 0.00 2.89 -0.14 -1.26 -4.27 119.74 116.78 2jya s LYS 34 Ca 0.03 -0.99 0.00 0.00 -1.36 0.00 0.00 55.97 53.65 2jya s LYS 34 Cb 0.09 -5.28 0.00 0.00 -1.68 0.00 0.00 37.83 30.96 2jya s LYS 34 CO 0.37 -2.83 0.00 0.44 -0.76 0.00 0.00 175.35 172.58 2jya n ILE 35 N 7.25 0.00 -1.76 2.17 -6.64 -1.26 -5.05 119.36 114.07 2jya n ILE 35 Ca 0.39 0.00 -0.42 0.00 -1.77 0.00 0.00 62.75 60.95 2jya n ILE 35 Cb 0.48 0.00 -0.03 0.00 -1.44 0.00 0.00 39.64 38.65 2jya n ILE 35 CO 0.00 0.00 0.00 -1.81 -1.77 0.00 0.00 176.55 172.97 2jya s ASP 36 N 0.56 6.29 0.00 7.28 1.01 -1.26 -4.86 116.67 125.68 2jya s ASP 36 Ca 0.00 2.35 0.10 0.00 0.71 0.00 0.00 52.55 55.71 2jya s ASP 36 Cb 0.00 -2.53 0.51 0.00 1.01 0.00 0.00 42.92 41.92 2jya s ASP 36 CO 0.00 -1.23 1.20 -0.81 0.21 0.00 0.00 175.17 174.54 2jya n PRO 37 N 7.72 0.15 0.04 8.23 -0.04 -1.26 -1.55 135.00 148.30 2jya n PRO 37 Ca 0.21 0.18 -0.12 0.00 -0.04 0.00 0.00 63.50 63.73 2jya n PRO 37 Cb 0.43 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.32 2jya n PRO 37 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2jya h ILE 38 N 0.00 0.98 -0.48 0.52 2.04 -1.98 -3.30 117.51 115.28 2jya h ILE 38 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2jya h ILE 38 Cb 0.09 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 2jya h ILE 38 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 178.15 179.30 2jya n MET 39 N -5.10 2.62 0.00 2.37 0.00 -0.59 -5.03 117.12 111.39 2jya n MET 39 Ca -0.07 -2.27 0.00 0.00 0.00 0.00 0.00 57.70 55.36 2jya n MET 39 Cb 0.04 -1.42 0.00 0.00 0.00 0.00 0.00 33.22 31.84 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 1.10 1.65 3.54 3.17 0.00 -1.08 -4.85 105.19 108.73 2jya n GLY 40 Ca 0.17 -0.41 -0.21 0.00 0.00 0.00 0.00 46.02 45.57 2jya n GLY 40 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2jya n TYR 41 N 0.00 -2.48 -1.30 1.61 9.36 -1.05 -4.41 117.16 118.89 2jya n TYR 41 Ca 0.00 0.97 0.00 0.00 3.32 0.00 0.00 57.90 62.19 2jya n TYR 41 Cb 0.00 -4.97 0.00 0.00 -0.63 0.00 0.00 39.34 33.74 2jya n TYR 41 CO 0.00 0.00 0.00 -2.37 0.22 0.00 0.00 176.86 174.71 2jya n THR 42 N -4.54 0.00 -0.31 2.97 5.66 -1.26 -5.01 114.28 111.78 2jya n THR 42 Ca -0.15 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 60.90 2jya n THR 42 Cb 0.62 0.00 0.20 0.00 -1.55 0.00 0.00 70.33 69.59 2jya n THR 42 CO 0.00 0.00 0.00 -1.28 -3.05 0.00 0.00 175.07 170.74 2jya h SER 43 N 0.00 0.72 -2.63 1.09 0.87 -2.01 -3.34 113.55 108.25 2jya h SER 43 Ca 0.00 0.06 -0.55 0.00 -1.23 0.00 0.00 61.79 60.06 2jya h SER 43 Cb 0.00 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 61.84 2jya h SER 43 CO 0.00 0.39 1.24 -0.55 -0.53 0.00 0.00 176.83 177.38 2jya s SER 44 N -5.60 5.84 -0.38 6.23 0.15 -1.26 -4.93 113.70 113.76 2jya s SER 44 Ca -0.12 0.89 0.04 0.00 0.70 0.00 0.00 55.95 57.46 2jya s SER 44 Cb 0.21 -2.53 0.16 0.00 -1.71 0.00 0.00 66.02 62.14 2jya s SER 44 CO 0.79 -1.82 0.40 -0.55 1.20 0.00 0.00 173.24 173.26 2jya s SER 45 N 6.04 0.96 0.25 5.45 0.15 -1.26 -2.54 113.70 122.75 2jya s SER 45 Ca 0.71 -1.59 -0.29 0.00 0.70 0.00 0.00 55.95 55.47 2jya s SER 45 Cb -0.17 0.64 -0.09 0.00 -1.71 0.00 0.00 66.02 64.69 2jya s SER 45 CO 0.30 -0.24 0.94 -0.62 1.20 0.00 0.00 173.24 174.81 2jya s ASP 46 N 1.39 7.61 0.01 5.45 2.15 -1.26 -5.01 116.67 127.01 2jya s ASP 46 Ca 0.18 1.93 -0.19 0.00 0.43 0.00 0.00 52.55 54.89 2jya s ASP 46 Cb -0.14 -2.60 -0.11 0.00 -0.30 0.00 0.00 42.92 39.77 2jya s ASP 46 CO -0.03 0.14 1.03 0.24 -0.17 0.00 0.00 175.17 176.38 2jya h MET 47 N 4.05 -0.66 -1.14 4.34 2.86 -1.94 -3.25 114.93 119.18 2jya h MET 47 Ca -0.45 0.05 0.18 0.00 -2.06 0.00 0.00 59.70 57.41 2jya h MET 47 Cb 1.20 0.15 -0.30 0.00 0.06 0.00 0.00 31.60 32.71 2jya h MET 47 CO 0.68 -0.44 0.58 -1.59 1.06 0.00 0.00 176.91 177.20 2jya s LYS 48 N -4.09 0.17 0.13 1.72 0.00 -1.26 -3.45 119.74 112.96 2jya s LYS 48 Ca -0.10 0.31 -0.01 0.00 0.00 0.00 0.00 55.97 56.17 2jya s LYS 48 Cb 0.01 0.06 0.03 0.00 0.00 0.00 0.00 37.83 37.93 2jya s LYS 48 CO 0.30 -0.04 0.18 0.00 0.00 0.00 0.00 175.35 175.79 2jya n GLN 49 N 3.51 0.33 -3.81 1.78 10.64 -1.26 -4.83 117.38 123.74 2jya n GLN 49 Ca -0.16 -0.43 -0.30 0.00 -1.83 0.00 0.00 57.00 54.28 2jya n GLN 49 Cb 0.56 -0.14 -0.14 0.00 -0.86 0.00 0.00 30.24 29.66 2jya n GLN 49 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 2jya s GLN 50 N -2.99 1.12 0.71 2.61 -0.21 -1.26 -1.18 119.66 118.46 2jya s GLN 50 Ca 0.11 -1.60 -0.10 0.00 0.02 0.00 0.00 55.36 53.79 2jya s GLN 50 Cb -0.01 -2.44 0.03 0.00 1.00 0.00 0.00 33.01 31.59 2jya s GLN 50 CO 0.08 -1.03 1.07 0.14 -2.12 0.00 0.00 175.29 173.43 2jya s VAL 51 N 1.00 3.12 -0.02 1.09 -7.23 -1.23 -4.81 120.40 112.31 2jya s VAL 51 Ca 0.13 0.25 0.02 0.00 -1.81 0.00 0.00 61.98 60.56 2jya s VAL 51 Cb -0.20 -3.34 0.00 0.00 0.56 0.00 0.00 36.38 33.40 2jya s VAL 51 CO -0.13 -0.43 -0.08 -1.59 -0.31 0.00 0.00 175.10 172.57 2jya s LYS 52 N -5.33 0.84 0.01 4.82 -2.85 -1.26 -2.80 119.74 113.17 2jya s LYS 52 Ca 0.58 -0.26 0.07 0.00 -1.00 0.00 0.00 55.97 55.37 2jya s LYS 52 Cb -0.11 -0.80 -0.03 0.00 -2.06 0.00 0.00 37.83 34.83 2jya s LYS 52 CO 0.50 0.09 -0.21 -0.51 0.10 0.00 0.00 175.35 175.31 2jya s LEU 53 N 0.23 2.41 -0.14 2.77 1.43 -0.23 -4.95 118.68 120.21 2jya s LEU 53 Ca -0.03 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 2jya s LEU 53 Cb -0.08 -1.43 -0.01 0.00 0.03 0.00 0.00 46.19 44.69 2jya s LEU 53 CO 0.00 0.29 -0.14 0.42 0.23 0.00 0.00 176.35 177.15 2jya s THR 54 N -0.80 2.95 0.09 5.49 -4.23 -1.26 -0.69 115.64 117.19 2jya s THR 54 Ca 0.12 -0.69 0.03 0.00 -1.18 0.00 0.00 61.69 59.97 2jya s THR 54 Cb -0.10 -2.24 -0.04 0.00 1.34 0.00 0.00 72.50 71.46 2jya s THR 54 CO 0.02 0.52 -0.08 -0.36 -0.54 0.00 0.00 174.62 174.18 2jya s PHE 55 N 0.46 0.94 0.39 3.99 0.08 -0.64 -5.01 117.98 118.19 2jya s PHE 55 Ca -0.10 -0.74 0.11 0.00 0.12 0.00 0.00 56.93 56.32 2jya s PHE 55 Cb -0.16 -0.53 0.79 0.00 -0.57 0.00 0.00 43.02 42.55 2jya s PHE 55 CO 0.05 -0.07 1.90 0.93 -0.10 0.00 0.00 175.22 177.92 2jya h GLU 56 N 3.42 0.15 -4.73 0.44 4.39 -1.97 -2.63 114.58 113.64 2jya h GLU 56 Ca -0.36 -0.04 -0.27 0.00 0.34 0.00 0.00 59.36 59.03 2jya h GLU 56 Cb 1.18 -0.02 -0.15 0.00 -0.10 0.00 0.00 28.75 29.67 2jya h GLU 56 CO 0.56 0.36 -0.66 0.95 -1.16 0.00 0.00 179.01 179.06 2jya s THR 57 N -4.56 0.60 0.23 1.13 -4.23 -1.26 -4.69 115.64 102.86 2jya s THR 57 Ca -0.05 -1.97 -0.08 0.00 -1.18 0.00 0.00 61.69 58.42 2jya s THR 57 Cb 0.15 -2.06 0.20 0.00 1.34 0.00 0.00 72.50 72.13 2jya s THR 57 CO 0.73 -0.52 1.88 -0.61 -0.54 0.00 0.00 174.62 175.56 2jya h GLN 58 N 2.74 1.04 -0.72 3.99 -0.00 -1.95 -3.25 115.11 116.97 2jya h GLN 58 Ca -0.36 -0.06 0.15 0.00 -0.00 0.00 0.00 58.65 58.38 2jya h GLN 58 Cb 1.20 -0.23 -0.10 0.00 0.00 0.00 0.00 27.48 28.34 2jya h GLN 58 CO 0.62 0.69 0.18 0.93 0.00 0.00 0.00 178.83 181.26 2jya h GLU 59 N 1.07 0.28 -0.00 1.69 4.39 -1.99 -0.74 114.58 119.28 2jya h GLU 59 Ca 0.33 -0.02 -0.13 0.00 0.34 0.00 0.00 59.36 59.89 2jya h GLU 59 Cb -0.01 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 2jya h GLU 59 CO -0.11 0.18 -0.61 1.96 -1.16 0.00 0.00 179.01 179.28 2jya h GLN 60 N 0.29 0.00 0.21 2.33 4.20 -1.98 -2.03 115.11 118.13 2jya h GLN 60 Ca 0.40 -0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.80 2jya h GLN 60 Cb 0.67 0.00 0.04 0.00 0.30 0.00 0.00 27.48 28.48 2jya h GLN 60 CO -0.48 0.61 -1.35 0.00 -0.67 0.00 0.00 178.83 176.94 2jya h ALA 61 N 1.39 -0.12 -0.31 3.87 0.00 -1.26 -3.09 119.26 119.73 2jya h ALA 61 Ca -0.01 -0.82 -0.18 0.00 0.00 0.00 0.00 54.91 53.91 2jya h ALA 61 Cb 1.08 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2jya h ALA 61 CO 0.08 0.65 -0.50 1.05 0.00 0.00 0.00 179.25 180.53 2jya h GLU 62 N 0.11 0.87 -0.84 0.00 4.11 -1.29 -3.08 114.58 114.47 2jya h GLU 62 Ca -0.23 -0.52 0.12 0.00 0.07 0.00 0.00 59.36 58.80 2jya h GLU 62 Cb 2.05 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 31.29 2jya h GLU 62 CO 0.25 1.16 0.54 0.00 0.07 0.00 0.00 179.01 181.04 2jya h ALA 63 N 0.74 1.80 0.40 1.06 0.00 -1.44 -1.30 119.26 120.53 2jya h ALA 63 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2jya h ALA 63 Cb 1.09 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2jya h ALA 63 CO 0.11 -0.00 -0.19 -0.92 0.00 0.00 0.00 179.25 178.25 2jya h TYR 64 N 0.71 -0.50 -0.58 0.00 3.20 -1.49 -2.40 116.97 115.90 2jya h TYR 64 Ca 0.40 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.37 2jya h TYR 64 Cb 0.58 0.17 -0.09 0.00 1.54 0.00 0.00 36.73 38.93 2jya h TYR 64 CO -0.00 -0.18 0.11 0.00 -1.64 0.00 0.00 178.16 176.45 2jya h ALA 65 N -0.46 0.67 -0.50 1.82 0.00 -1.41 -2.33 119.26 117.05 2jya h ALA 65 Ca -0.06 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.00 2jya h ALA 65 Cb 0.55 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 2jya h ALA 65 CO 0.09 -0.32 0.31 1.96 0.00 0.00 0.00 179.25 181.30 2jya h GLN 66 N 0.23 0.62 -0.98 0.00 4.20 -1.30 0.28 115.11 118.16 2jya h GLN 66 Ca 0.30 -0.04 0.13 0.00 0.06 0.00 0.00 58.65 59.11 2jya h GLN 66 Cb 0.45 -0.14 -0.08 0.00 0.30 0.00 0.00 27.48 28.01 2jya h GLN 66 CO -0.41 0.41 0.62 -0.09 -0.67 0.00 0.00 178.83 178.69 2jya h ARG 67 N 0.63 0.88 0.00 1.46 2.43 -0.98 -2.03 114.38 116.78 2jya h ARG 67 Ca 0.19 -0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 59.15 2jya h ARG 67 Cb -0.03 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.29 2jya h ARG 67 CO -0.06 0.58 -0.78 0.87 -1.51 0.00 0.00 179.97 179.07 2jya h LYS 68 N 0.91 0.00 0.00 0.20 1.79 -0.89 -3.48 116.57 115.10 2jya h LYS 68 Ca 0.50 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.97 2jya h LYS 68 Cb 0.59 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.24 2jya h LYS 68 CO -0.27 0.67 0.00 0.41 -1.08 0.00 0.00 179.45 179.18 2jya n GLY 69 N 1.29 0.61 3.59 3.86 0.00 -0.00 -5.05 105.19 109.48 2jya n GLY 69 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.14 3.50 0.44 -0.61 1.01 0.78 -4.94 121.20 119.24 2jya s ILE 70 Ca 0.00 0.47 -0.24 0.00 0.00 0.00 0.00 60.65 60.88 2jya s ILE 70 Cb 0.00 -3.79 -0.10 0.00 0.01 0.00 0.00 42.46 38.58 2jya s ILE 70 CO 0.00 -0.58 1.08 -1.84 0.00 0.00 0.00 174.94 173.59 2jya n GLU 71 N 8.58 1.46 -3.81 2.79 0.28 -1.15 -4.07 120.64 124.72 2jya n GLU 71 Ca 0.21 0.53 -0.12 0.00 -0.16 0.00 0.00 57.16 57.62 2jya n GLU 71 Cb 0.48 -2.15 -0.09 0.00 1.43 0.00 0.00 31.44 31.11 2jya n GLU 71 CO 0.00 0.00 0.00 1.52 -0.16 0.00 0.00 177.13 178.49 2jya s TYR 72 N -1.27 -0.09 -0.18 -1.84 1.13 -1.26 -0.86 117.35 112.97 2jya s TYR 72 Ca 0.64 0.13 -0.03 0.00 -1.41 0.00 0.00 57.07 56.39 2jya s TYR 72 Cb -0.53 0.04 -0.02 0.00 -1.10 0.00 0.00 41.96 40.35 2jya s TYR 72 CO 0.56 -0.33 -0.05 1.03 -2.51 0.00 0.00 175.55 174.25 2jya s ARG 73 N -1.25 3.52 -0.28 -3.49 1.81 -0.41 -4.95 118.95 113.90 2jya s ARG 73 Ca -0.13 -0.58 -0.20 0.00 -1.72 0.00 0.00 55.73 53.09 2jya s ARG 73 Cb -0.06 -2.92 -0.01 0.00 -0.45 0.00 0.00 34.95 31.51 2jya s ARG 73 CO 0.03 0.06 0.63 0.08 -0.68 0.00 0.00 175.30 175.42 2jya s VAL 74 N 0.82 4.95 -0.18 3.52 1.01 -1.26 -1.70 120.40 127.56 2jya s VAL 74 Ca -0.01 0.99 0.01 0.00 0.00 0.00 0.00 61.98 62.97 2jya s VAL 74 Cb -0.15 -3.97 0.03 0.00 0.00 0.00 0.00 36.38 32.29 2jya s VAL 74 CO 0.02 -0.07 -0.14 -0.63 0.00 0.00 0.00 175.10 174.27 2jya s ILE 75 N 2.57 1.80 0.47 2.22 1.01 0.05 -5.00 121.20 124.34 2jya s ILE 75 Ca 0.26 -0.94 -0.22 0.00 0.00 0.00 0.00 60.65 59.74 2jya s ILE 75 Cb -0.15 -1.75 -0.07 0.00 0.01 0.00 0.00 42.46 40.50 2jya s ILE 75 CO 0.10 0.35 1.13 -0.76 0.00 0.00 0.00 174.94 175.76 2jya s LEU 76 N 1.36 3.95 0.00 2.97 1.43 -1.26 -4.06 118.68 123.07 2jya s LEU 76 Ca 0.02 2.20 -0.16 0.00 -1.03 0.00 0.00 54.13 55.16 2jya s LEU 76 Cb -0.15 -4.34 0.22 0.00 0.03 0.00 0.00 46.19 41.95 2jya s LEU 76 CO -0.10 -0.92 1.26 -0.81 0.23 0.00 0.00 176.35 176.01 2jya n PRO 77 N -0.67 -1.35 0.15 1.29 -0.04 -1.26 -4.82 135.00 128.31 2jya n PRO 77 Ca 0.08 -1.94 0.03 0.00 -0.04 0.00 0.00 63.50 61.63 2jya n PRO 77 Cb 0.49 -1.32 0.40 0.00 -0.04 0.00 0.00 33.50 33.03 2jya n PRO 77 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 2jya h LYS 78 N 0.00 0.14 -0.26 0.54 -0.00 -1.97 -2.85 116.57 112.17 2jya h LYS 78 Ca -0.41 -0.04 0.00 0.00 -0.00 0.00 0.00 60.65 60.20 2jya h LYS 78 Cb 1.13 -0.02 0.00 0.00 -0.00 0.00 0.00 32.23 33.35 2jya h LYS 78 CO 0.29 0.35 0.00 -0.85 -0.00 0.00 0.00 179.45 179.23 2jya n GLU 79 N -4.24 1.60 0.00 0.07 0.28 -1.26 -5.20 120.64 111.90 2jya n GLU 79 Ca -0.01 -0.93 0.05 0.00 -0.16 0.00 0.00 57.16 56.10 2jya n GLU 79 Cb 0.30 -1.20 0.30 0.00 1.43 0.00 0.00 31.44 32.27 2jya n GLU 79 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97