#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 2.92 -0.14 7.83 0.01 -1.26 -3.26 113.70 119.80 2jya s SER 2 Ca 0.00 -0.65 -0.07 0.00 1.31 0.00 0.00 55.95 56.54 2jya s SER 2 Cb 0.00 -1.12 -0.04 0.00 0.21 0.00 0.00 66.02 65.07 2jya s SER 2 CO 0.00 -0.12 0.11 0.00 0.41 0.00 0.00 173.24 173.65 2jya s ALA 3 N 1.50 3.72 -0.21 1.44 0.00 -0.36 -4.15 121.76 123.70 2jya s ALA 3 Ca 0.02 -0.68 -0.05 0.00 0.00 0.00 0.00 51.96 51.25 2jya s ALA 3 Cb -0.14 -1.96 -0.02 0.00 0.00 0.00 0.00 23.12 20.99 2jya s ALA 3 CO -0.09 0.45 0.01 -1.59 0.00 0.00 0.00 175.76 174.54 2jya s LYS 4 N -0.52 3.61 -0.25 0.00 -2.85 -0.07 -1.20 119.74 118.47 2jya s LYS 4 Ca 0.12 -0.52 -0.08 0.00 -1.00 0.00 0.00 55.97 54.49 2jya s LYS 4 Cb -0.12 -3.12 -0.04 0.00 -2.06 0.00 0.00 37.83 32.50 2jya s LYS 4 CO 0.02 -0.03 0.10 0.42 0.10 0.00 0.00 175.35 175.95 2jya s ILE 5 N 1.13 4.62 0.31 3.79 1.01 -0.85 -1.96 121.20 129.26 2jya s ILE 5 Ca 0.03 -0.07 -0.02 0.00 0.00 0.00 0.00 60.65 60.59 2jya s ILE 5 Cb -0.14 -3.17 -0.01 0.00 0.01 0.00 0.00 42.46 39.15 2jya s ILE 5 CO 0.02 0.33 0.41 -0.72 0.00 0.00 0.00 174.94 174.98 2jya s TYR 6 N 1.52 1.08 -0.34 3.97 1.13 -0.79 -0.67 117.35 123.26 2jya s TYR 6 Ca 0.06 -1.28 -0.01 0.00 -1.41 0.00 0.00 57.07 54.43 2jya s TYR 6 Cb -0.15 -0.18 0.12 0.00 -1.10 0.00 0.00 41.96 40.65 2jya s TYR 6 CO 0.05 -1.03 0.17 0.50 -2.51 0.00 0.00 175.55 172.73 2jya s ARG 7 N -3.34 0.62 0.00 -3.49 3.52 -1.26 -0.27 118.95 114.73 2jya s ARG 7 Ca 0.32 -1.19 0.00 0.00 -0.13 0.00 0.00 55.73 54.72 2jya s ARG 7 Cb 0.01 -1.60 0.00 0.00 -1.56 0.00 0.00 34.95 31.80 2jya s ARG 7 CO 0.19 -1.11 0.00 -0.35 -0.81 0.00 0.00 175.30 173.22 2jya n PRO 8 N 4.43 2.35 -0.03 5.12 -0.04 -1.26 -1.65 135.00 143.91 2jya n PRO 8 Ca 0.04 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.52 2jya n PRO 8 Cb 0.39 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.88 2jya n PRO 8 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jya n ALA 9 N -3.00 1.97 0.59 0.55 0.00 -1.26 -4.72 120.51 114.64 2jya n ALA 9 Ca 0.00 -1.35 0.13 0.00 0.00 0.00 0.00 53.44 52.21 2jya n ALA 9 Cb 0.00 -0.11 0.37 0.00 0.00 0.00 0.00 19.45 19.71 2jya n ALA 9 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2jya h LYS 10 N 0.00 0.00 -5.51 0.00 1.63 -1.96 -3.43 116.57 107.30 2jya h LYS 10 Ca 0.00 0.00 -0.23 0.00 -0.85 0.00 0.00 60.65 59.57 2jya h LYS 10 Cb 0.70 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.33 2jya h LYS 10 CO 0.00 0.00 0.77 0.95 -3.45 0.00 0.00 179.45 177.72 2jya s THR 11 N -3.11 3.05 0.63 1.00 -4.23 -1.26 -4.96 115.64 106.76 2jya s THR 11 Ca 0.10 -0.01 -0.11 0.00 -1.18 0.00 0.00 61.69 60.49 2jya s THR 11 Cb 0.12 -3.12 0.15 0.00 1.34 0.00 0.00 72.50 70.98 2jya s THR 11 CO 0.61 -0.11 0.85 0.00 -0.54 0.00 0.00 174.62 175.43 2jya n ALA 12 N 17.05 -1.02 -1.92 3.99 0.00 -1.26 -4.90 120.51 132.45 2jya n ALA 12 Ca 0.41 -1.11 -0.23 0.00 0.00 0.00 0.00 53.44 52.50 2jya n ALA 12 Cb 0.49 -0.06 -0.06 0.00 0.00 0.00 0.00 19.45 19.82 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 -4.86 2.23 -0.45 0.00 -1.94 -1.26 -4.57 119.30 108.45 2jya s MET 13 Ca 0.48 -0.33 -0.20 0.00 -1.71 0.00 0.00 55.69 53.94 2jya s MET 13 Cb -0.01 -5.04 0.03 0.00 2.01 0.00 0.00 34.83 31.82 2jya s MET 13 CO 0.34 -3.90 0.62 -1.14 -0.01 0.00 0.00 175.02 170.94 2jya s GLN 14 N 7.40 3.23 -1.87 2.03 0.74 -0.79 -3.82 119.66 126.57 2jya s GLN 14 Ca 0.75 -0.49 0.00 0.00 0.05 0.00 0.00 55.36 55.67 2jya s GLN 14 Cb -0.07 -3.98 0.00 0.00 1.10 0.00 0.00 33.01 30.07 2jya s GLN 14 CO 0.05 -1.03 0.00 0.45 -0.55 0.00 0.00 175.29 174.21 2jya n SER 15 N 6.20 -5.37 0.00 6.67 2.88 -1.26 -2.34 113.62 120.40 2jya n SER 15 Ca -0.03 0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 2jya n SER 15 Cb 0.47 -4.49 0.00 0.00 -0.75 0.00 0.00 64.21 59.44 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 -0.78 3.07 3.73 0.46 0.00 -1.25 -5.05 105.19 105.37 2jya n GLY 16 Ca -0.20 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.55 2jya n GLY 16 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2jya s THR 17 N -0.86 4.15 0.00 2.61 -1.32 -0.99 -4.73 115.64 114.50 2jya s THR 17 Ca 0.00 1.81 0.00 0.00 -1.21 0.00 0.00 61.69 62.29 2jya s THR 17 Cb 0.00 -4.16 0.00 0.00 -1.51 0.00 0.00 72.50 66.83 2jya s THR 17 CO 0.00 0.29 0.05 0.00 -2.21 0.00 0.00 174.62 172.75 2jya n ALA 18 N 2.61 0.63 0.05 11.08 0.00 -1.26 -1.89 120.51 131.73 2jya n ALA 18 Ca 0.03 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.48 2jya n ALA 18 Cb 0.47 0.00 0.36 0.00 0.00 0.00 0.00 19.45 20.29 2jya n ALA 18 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2jya h LYS 19 N 0.00 0.42 -5.40 0.00 1.57 -1.94 -3.39 116.57 107.83 2jya h LYS 19 Ca 0.00 -0.07 -0.66 0.00 -1.87 0.00 0.00 60.65 58.05 2jya h LYS 19 Cb 0.53 -0.07 -0.25 0.00 0.08 0.00 0.00 32.23 32.52 2jya h LYS 19 CO 0.00 0.44 -0.74 0.95 -0.57 0.00 0.00 179.45 179.52 2jya s THR 20 N -4.99 3.23 -0.66 -0.16 -4.23 -1.26 -5.08 115.64 102.48 2jya s THR 20 Ca -0.07 -0.60 -0.27 0.00 -1.18 0.00 0.00 61.69 59.56 2jya s THR 20 Cb 0.16 -2.36 0.02 0.00 1.34 0.00 0.00 72.50 71.66 2jya s THR 20 CO 0.74 0.52 1.33 0.20 -0.54 0.00 0.00 174.62 176.88 2jya s ASN 21 N 0.25 6.14 1.01 3.99 0.02 -1.26 -5.02 114.94 120.07 2jya s ASN 21 Ca -0.08 -0.13 -0.16 0.00 -1.02 0.00 0.00 52.86 51.48 2jya s ASN 21 Cb -0.15 -2.55 0.22 0.00 0.02 0.00 0.00 41.25 38.78 2jya s ASN 21 CO 0.05 -1.78 1.27 1.33 0.02 0.00 0.00 177.10 177.99 2jya n VAL 22 N 6.60 0.00 -2.96 1.60 0.24 -1.26 -4.84 118.33 117.71 2jya n VAL 22 Ca 0.07 -0.93 -0.40 0.00 -2.04 0.00 0.00 64.34 61.04 2jya n VAL 22 Cb 0.49 -1.52 -0.04 0.00 -1.47 0.00 0.00 33.84 31.30 2jya n VAL 22 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 2jya s TRP 23 N -3.77 3.59 -0.12 6.34 0.52 -0.32 -4.19 118.94 120.99 2jya s TRP 23 Ca 0.72 1.36 -0.05 0.00 0.02 0.00 0.00 56.10 58.14 2jya s TRP 23 Cb -0.02 -2.89 -0.04 0.00 -1.15 0.00 0.00 33.47 29.37 2jya s TRP 23 CO 0.51 0.04 0.08 0.08 0.02 0.00 0.00 176.95 177.68 2jya s VAL 24 N 0.94 5.02 -0.33 4.03 1.01 0.63 -1.31 120.40 130.39 2jya s VAL 24 Ca 0.41 0.03 -0.00 0.00 0.00 0.00 0.00 61.98 62.42 2jya s VAL 24 Cb -0.18 -3.18 0.08 0.00 0.00 0.00 0.00 36.38 33.09 2jya s VAL 24 CO 0.20 0.59 0.05 -0.22 0.00 0.00 0.00 175.10 175.72 2jya s LEU 25 N -0.77 4.35 -0.12 3.92 2.96 -0.04 -1.88 118.68 127.09 2jya s LEU 25 Ca 0.13 -1.66 0.01 0.00 -0.22 0.00 0.00 54.13 52.39 2jya s LEU 25 Cb -0.12 -1.70 -0.02 0.00 0.50 0.00 0.00 46.19 44.85 2jya s LEU 25 CO 0.03 -0.35 -0.14 -0.70 -1.32 0.00 0.00 176.35 173.87 2jya s GLU 26 N 1.13 3.27 0.06 1.98 -6.30 -0.83 -1.21 118.70 116.81 2jya s GLU 26 Ca 0.01 -0.70 -0.09 0.00 -2.50 0.00 0.00 54.97 51.69 2jya s GLU 26 Cb -0.20 -2.58 0.00 0.00 0.00 0.00 0.00 34.13 31.34 2jya s GLU 26 CO -0.04 0.26 0.19 -0.59 0.02 0.00 0.00 175.26 175.10 2jya s PHE 27 N 0.23 0.10 0.08 5.30 -0.71 -0.56 -0.89 117.98 121.53 2jya s PHE 27 Ca -0.09 -0.42 -0.31 0.00 -1.04 0.00 0.00 56.93 55.07 2jya s PHE 27 Cb -0.15 -0.05 -0.07 0.00 -1.21 0.00 0.00 43.02 41.54 2jya s PHE 27 CO 0.05 -0.48 1.40 0.16 -1.34 0.00 0.00 175.22 175.01 2jya s ASP 28 N -2.42 6.83 0.35 1.98 -4.77 -1.26 -1.37 116.67 116.01 2jya s ASP 28 Ca -0.01 2.26 -0.27 0.00 -3.30 0.00 0.00 52.55 51.24 2jya s ASP 28 Cb 0.02 -2.58 -0.12 0.00 -1.09 0.00 0.00 42.92 39.15 2jya s ASP 28 CO -0.07 -0.67 1.08 0.00 0.70 0.00 0.00 175.17 176.20 2jya n ALA 29 N 4.43 0.31 -0.92 2.11 0.00 -0.03 -4.66 120.51 121.74 2jya n ALA 29 Ca 0.12 0.32 -0.10 0.00 0.00 0.00 0.00 53.44 53.78 2jya n ALA 29 Cb 0.43 -2.10 -0.13 0.00 0.00 0.00 0.00 19.45 17.65 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 0.47 1.83 -4.79 0.00 0.28 -1.26 -4.49 120.64 112.68 2jya n GLU 30 Ca 0.08 -0.87 -0.33 0.00 -0.16 0.00 0.00 57.16 55.88 2jya n GLU 30 Cb 0.36 -1.81 -0.14 0.00 1.43 0.00 0.00 31.44 31.27 2jya n GLU 30 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2jya s VAL 31 N 0.66 3.04 0.00 3.84 0.11 -1.26 -5.12 120.40 121.67 2jya s VAL 31 Ca 0.54 -0.67 0.00 0.00 -2.93 0.00 0.00 61.98 58.92 2jya s VAL 31 Cb 0.26 -2.27 0.00 0.00 -1.53 0.00 0.00 36.38 32.84 2jya s VAL 31 CO -0.01 0.53 0.00 -0.81 -3.33 0.00 0.00 175.10 171.48 2jya n PRO 32 N 3.46 3.25 -1.15 1.54 -0.04 -1.26 -4.52 135.00 136.27 2jya n PRO 32 Ca -0.18 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.10 2jya n PRO 32 Cb 0.53 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.85 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 2.23 -2.03 0.54 -4.01 -1.26 -4.62 116.66 107.51 2jya n ARG 33 Ca 0.00 -1.44 -0.42 0.00 -1.04 0.00 0.00 57.85 54.95 2jya n ARG 33 Cb 0.00 -2.09 0.00 0.00 -3.04 0.00 0.00 32.46 27.33 2jya n ARG 33 CO 0.00 0.00 0.00 1.17 -3.04 0.00 0.00 177.63 175.76 2jya n LYS 34 N 2.14 3.01 -3.84 2.89 3.00 -1.26 -4.85 118.16 119.25 2jya n LYS 34 Ca 0.47 -2.88 -0.12 0.00 -0.00 0.00 0.00 58.31 55.78 2jya n LYS 34 Cb 0.78 -3.31 -0.11 0.00 0.00 0.00 0.00 35.03 32.39 2jya n LYS 34 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 2jya s ILE 35 N 3.21 0.04 0.19 3.15 -4.36 -1.26 -5.08 121.20 117.10 2jya s ILE 35 Ca 0.48 -0.36 0.07 0.00 -0.26 0.00 0.00 60.65 60.59 2jya s ILE 35 Cb 0.11 -0.35 -0.04 0.00 1.25 0.00 0.00 42.46 43.43 2jya s ILE 35 CO -0.04 -0.20 0.05 -1.81 0.24 0.00 0.00 174.94 173.18 2jya s ASP 36 N -0.67 4.97 0.40 4.36 1.11 -1.26 -4.98 116.67 120.59 2jya s ASP 36 Ca -0.08 -0.36 0.07 0.00 0.18 0.00 0.00 52.55 52.36 2jya s ASP 36 Cb -0.04 -1.12 0.84 0.00 1.07 0.00 0.00 42.92 43.67 2jya s ASP 36 CO 0.01 0.06 2.04 1.55 1.18 0.00 0.00 175.17 180.01 2jya h PRO 37 N 2.40 0.58 -0.74 8.23 0.13 -1.99 -2.43 132.00 138.17 2jya h PRO 37 Ca -0.47 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.61 2jya h PRO 37 Cb 1.21 -0.13 -0.04 0.00 0.13 0.00 0.00 31.00 32.18 2jya h PRO 37 CO 0.60 0.38 0.42 0.82 -0.23 0.00 0.00 178.00 179.98 2jya h ILE 38 N 0.59 1.22 -0.30 -3.56 2.04 -2.04 -2.44 117.51 113.01 2jya h ILE 38 Ca 0.18 -0.52 -0.10 0.00 1.00 0.00 0.00 64.86 65.42 2jya h ILE 38 Cb 0.01 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.28 2jya h ILE 38 CO -0.04 0.24 -0.22 0.24 0.00 0.00 0.00 178.15 178.36 2jya h MET 39 N 1.03 0.56 -0.37 2.37 2.86 -1.85 -3.47 114.93 116.07 2jya h MET 39 Ca 0.26 -0.21 -0.16 0.00 -2.06 0.00 0.00 59.70 57.54 2jya h MET 39 Cb 0.01 -0.04 -0.06 0.00 0.06 0.00 0.00 31.60 31.57 2jya h MET 39 CO -0.04 0.75 -0.14 0.41 1.06 0.00 0.00 176.91 178.94 2jya n GLY 40 N -0.38 0.97 1.72 8.32 0.00 -0.92 -4.91 105.19 109.99 2jya n GLY 40 Ca -0.00 -0.53 -0.08 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.71 2.10 0.05 1.61 9.36 -1.26 -4.59 117.16 121.73 2jya n TYR 41 Ca -0.08 -1.42 -0.08 0.00 3.32 0.00 0.00 57.90 59.64 2jya n TYR 41 Cb 0.29 -0.66 -0.12 0.00 -0.63 0.00 0.00 39.34 38.21 2jya n TYR 41 CO 0.00 0.00 0.00 1.79 0.22 0.00 0.00 176.86 178.87 2jya h THR 42 N 1.75 1.59 -0.28 2.97 1.35 -1.91 -3.26 112.91 115.12 2jya h THR 42 Ca 0.32 -3.31 -0.06 0.00 -0.55 0.00 0.00 66.41 62.80 2jya h THR 42 Cb 2.20 2.80 -0.01 0.00 -1.73 0.00 0.00 68.15 71.41 2jya h THR 42 CO 0.69 0.91 -0.08 -1.28 -0.25 0.00 0.00 175.52 175.51 2jya h SER 43 N 0.00 0.55 -1.74 5.36 0.87 -1.98 -3.29 113.55 113.32 2jya h SER 43 Ca -0.05 -0.37 -0.76 0.00 -1.23 0.00 0.00 61.79 59.37 2jya h SER 43 Cb 1.81 -0.15 -0.18 0.00 -0.44 0.00 0.00 62.40 63.45 2jya h SER 43 CO 0.13 0.80 1.73 -1.20 -0.53 0.00 0.00 176.83 177.76 2jya n SER 44 N -4.50 5.30 -4.56 6.23 7.64 -1.23 -4.96 113.62 117.55 2jya n SER 44 Ca -0.03 -3.13 -0.32 0.00 1.01 0.00 0.00 58.87 56.39 2jya n SER 44 Cb 0.32 -1.46 -0.04 0.00 -1.01 0.00 0.00 64.21 62.02 2jya n SER 44 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2jya s SER 45 N 0.77 5.28 -0.08 6.43 0.15 -1.24 -4.93 113.70 120.08 2jya s SER 45 Ca 0.39 -0.31 -0.30 0.00 0.70 0.00 0.00 55.95 56.43 2jya s SER 45 Cb 0.07 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.79 2jya s SER 45 CO 0.02 -2.52 1.43 -0.62 1.20 0.00 0.00 173.24 172.75 2jya s ASP 46 N 7.79 6.83 -0.12 5.45 2.15 -1.26 -4.93 116.67 132.58 2jya s ASP 46 Ca 0.67 2.00 -0.14 0.00 0.43 0.00 0.00 52.55 55.51 2jya s ASP 46 Cb -0.09 -2.54 -0.26 0.00 -0.30 0.00 0.00 42.92 39.73 2jya s ASP 46 CO 0.08 -0.80 0.44 0.24 -0.17 0.00 0.00 175.17 174.96 2jya h MET 47 N 8.51 0.22 -0.38 4.34 2.86 -1.83 -3.41 114.93 125.24 2jya h MET 47 Ca -0.34 -0.37 0.05 0.00 -2.06 0.00 0.00 59.70 56.98 2jya h MET 47 Cb 1.15 0.14 -0.17 0.00 0.06 0.00 0.00 31.60 32.78 2jya h MET 47 CO 0.94 1.18 -0.19 -1.59 1.06 0.00 0.00 176.91 178.31 2jya s LYS 48 N -2.49 0.34 0.32 1.72 0.00 -1.26 -4.36 119.74 114.01 2jya s LYS 48 Ca -0.22 -0.21 -0.28 0.00 0.00 0.00 0.00 55.97 55.27 2jya s LYS 48 Cb 0.05 0.02 -0.09 0.00 0.00 0.00 0.00 37.83 37.81 2jya s LYS 48 CO 0.74 -0.47 1.08 1.14 0.00 0.00 0.00 175.35 177.85 2jya s GLN 49 N 1.59 4.48 0.17 1.78 -2.07 -1.26 -4.17 119.66 120.18 2jya s GLN 49 Ca 0.18 1.71 -0.30 0.00 -1.82 0.00 0.00 55.36 55.14 2jya s GLN 49 Cb 0.05 -2.98 -0.08 0.00 -1.09 0.00 0.00 33.01 28.91 2jya s GLN 49 CO -0.12 0.09 1.29 -0.65 -1.32 0.00 0.00 175.29 174.58 2jya s GLN 50 N -1.79 4.41 0.03 9.60 1.11 -1.26 -0.85 119.66 130.90 2jya s GLN 50 Ca 0.49 1.99 0.01 0.00 0.01 0.00 0.00 55.36 57.87 2jya s GLN 50 Cb -0.29 -3.22 -0.02 0.00 -1.01 0.00 0.00 33.01 28.47 2jya s GLN 50 CO 0.37 -0.24 -0.06 0.14 0.01 0.00 0.00 175.29 175.51 2jya s VAL 51 N 0.29 0.38 -0.04 1.09 -7.23 -0.47 -4.91 120.40 109.50 2jya s VAL 51 Ca 0.57 -0.99 -0.03 0.00 -1.81 0.00 0.00 61.98 59.73 2jya s VAL 51 Cb -0.35 -0.47 0.02 0.00 0.56 0.00 0.00 36.38 36.14 2jya s VAL 51 CO 0.36 -0.41 0.10 -1.59 -0.31 0.00 0.00 175.10 173.26 2jya s LYS 52 N -1.48 0.09 0.09 4.82 -2.85 -1.26 -1.49 119.74 117.65 2jya s LYS 52 Ca -0.12 0.20 0.09 0.00 -1.00 0.00 0.00 55.97 55.15 2jya s LYS 52 Cb -0.10 -0.04 -0.03 0.00 -2.06 0.00 0.00 37.83 35.60 2jya s LYS 52 CO -0.00 -0.07 -0.25 -0.51 0.10 0.00 0.00 175.35 174.62 2jya s LEU 53 N 0.46 2.25 -0.11 2.77 1.02 -0.35 -4.97 118.68 119.75 2jya s LEU 53 Ca -0.03 -0.66 0.00 0.00 0.02 0.00 0.00 54.13 53.46 2jya s LEU 53 Cb -0.05 -1.14 -0.02 0.00 0.02 0.00 0.00 46.19 45.00 2jya s LEU 53 CO -0.02 0.18 -0.12 0.42 0.02 0.00 0.00 176.35 176.83 2jya s THR 54 N -0.96 3.21 0.05 5.49 -4.23 -1.26 -0.87 115.64 117.07 2jya s THR 54 Ca 0.11 -0.62 0.04 0.00 -1.18 0.00 0.00 61.69 60.04 2jya s THR 54 Cb -0.10 -2.34 -0.02 0.00 1.34 0.00 0.00 72.50 71.38 2jya s THR 54 CO 0.04 0.54 -0.11 -0.36 -0.54 0.00 0.00 174.62 174.19 2jya s PHE 55 N 0.07 0.96 0.25 3.99 0.08 -0.43 -5.02 117.98 117.88 2jya s PHE 55 Ca -0.04 -0.42 0.19 0.00 0.12 0.00 0.00 56.93 56.77 2jya s PHE 55 Cb -0.14 -0.56 0.80 0.00 -0.57 0.00 0.00 43.02 42.54 2jya s PHE 55 CO 0.04 -0.00 1.80 0.93 -0.10 0.00 0.00 175.22 177.89 2jya h GLU 56 N 4.65 0.00 -4.93 0.44 5.08 -1.97 -0.83 114.58 117.02 2jya h GLU 56 Ca -0.37 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 57.67 2jya h GLU 56 Cb 1.19 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.30 2jya h GLU 56 CO 0.42 0.34 -0.68 0.95 -1.00 0.00 0.00 179.01 179.04 2jya s THR 57 N -3.81 0.89 0.25 1.13 -4.23 -1.26 -4.52 115.64 104.09 2jya s THR 57 Ca -0.01 -2.01 -0.05 0.00 -1.18 0.00 0.00 61.69 58.44 2jya s THR 57 Cb 0.12 -2.08 0.20 0.00 1.34 0.00 0.00 72.50 72.08 2jya s THR 57 CO 0.68 -0.54 1.85 -0.61 -0.54 0.00 0.00 174.62 175.47 2jya h GLN 58 N 2.68 1.13 -0.80 3.99 4.15 -1.95 -3.16 115.11 121.16 2jya h GLN 58 Ca -0.37 -0.16 0.13 0.00 0.77 0.00 0.00 58.65 59.02 2jya h GLN 58 Cb 1.20 -0.21 -0.09 0.00 0.21 0.00 0.00 27.48 28.60 2jya h GLN 58 CO 0.63 0.87 0.40 0.93 -1.93 0.00 0.00 178.83 179.73 2jya h GLU 59 N 1.13 0.59 -0.32 1.69 5.08 -1.99 -0.63 114.58 120.13 2jya h GLU 59 Ca 0.28 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.49 2jya h GLU 59 Cb 0.10 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 2jya h GLU 59 CO -0.04 0.39 -0.25 1.96 -1.00 0.00 0.00 179.01 180.08 2jya h GLN 60 N 0.61 0.64 0.01 2.33 4.20 -1.96 -1.90 115.11 119.04 2jya h GLN 60 Ca 0.42 -0.26 -0.27 0.00 0.06 0.00 0.00 58.65 58.60 2jya h GLN 60 Cb 0.54 -0.03 0.02 0.00 0.30 0.00 0.00 27.48 28.31 2jya h GLN 60 CO -0.33 0.83 -1.05 0.00 -0.67 0.00 0.00 178.83 177.61 2jya h ALA 61 N 1.17 0.14 -0.24 3.87 0.00 -1.26 -2.84 119.26 120.09 2jya h ALA 61 Ca 0.08 -0.70 -0.16 0.00 0.00 0.00 0.00 54.91 54.12 2jya h ALA 61 Cb 0.72 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 2jya h ALA 61 CO 0.06 0.70 -0.51 1.05 0.00 0.00 0.00 179.25 180.54 2jya h GLU 62 N 0.38 0.68 -0.94 0.00 4.11 -1.22 -2.88 114.58 114.71 2jya h GLU 62 Ca -0.13 -0.41 0.11 0.00 0.07 0.00 0.00 59.36 59.00 2jya h GLU 62 Cb 1.71 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 30.92 2jya h GLU 62 CO 0.21 1.03 0.60 0.00 0.07 0.00 0.00 179.01 180.91 2jya h ALA 63 N 0.90 1.61 0.79 1.06 0.00 -1.34 -0.41 119.26 121.87 2jya h ALA 63 Ca 0.02 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2jya h ALA 63 Cb 1.07 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.67 2jya h ALA 63 CO 0.10 0.18 -0.38 -0.92 0.00 0.00 0.00 179.25 178.23 2jya h TYR 64 N 0.92 -0.99 -0.54 0.00 3.20 -1.38 -2.28 116.97 115.90 2jya h TYR 64 Ca 0.45 -0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.39 2jya h TYR 64 Cb 0.46 0.33 -0.08 0.00 1.54 0.00 0.00 36.73 38.98 2jya h TYR 64 CO -0.00 -0.62 0.09 0.00 -1.64 0.00 0.00 178.16 175.99 2jya h ALA 65 N -1.35 0.60 -0.37 1.82 0.00 -1.33 -1.89 119.26 116.74 2jya h ALA 65 Ca -0.11 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2jya h ALA 65 Cb 0.82 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2jya h ALA 65 CO 0.18 -0.32 0.20 1.96 0.00 0.00 0.00 179.25 181.26 2jya h GLN 66 N 0.22 0.53 -0.46 0.00 4.20 -1.15 0.41 115.11 118.86 2jya h GLN 66 Ca 0.28 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.93 2jya h GLN 66 Cb 0.40 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 2jya h GLN 66 CO -0.38 0.45 0.30 -0.09 -0.67 0.00 0.00 178.83 178.44 2jya h ARG 67 N 0.47 0.57 0.00 1.46 2.43 -0.99 -2.30 114.38 116.03 2jya h ARG 67 Ca 0.13 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 2jya h ARG 67 Cb 0.08 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.50 2jya h ARG 67 CO -0.02 0.38 -0.73 0.87 -1.51 0.00 0.00 179.97 178.96 2jya h LYS 68 N 0.59 0.00 0.00 0.20 1.79 -0.94 -3.48 116.57 114.73 2jya h LYS 68 Ca 0.17 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 2jya h LYS 68 Cb -0.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.62 2jya h LYS 68 CO -0.04 0.04 0.00 0.41 -1.08 0.00 0.00 179.45 178.78 2jya n GLY 69 N 1.17 0.75 3.60 3.86 0.00 0.47 -5.03 105.19 110.02 2jya n GLY 69 Ca 0.01 0.00 -0.43 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 -2.78 3.18 0.31 -0.61 1.01 0.11 -4.94 121.20 117.49 2jya s ILE 70 Ca 0.00 0.19 -0.29 0.00 0.00 0.00 0.00 60.65 60.54 2jya s ILE 70 Cb 0.00 -3.24 -0.12 0.00 0.01 0.00 0.00 42.46 39.12 2jya s ILE 70 CO 0.00 -0.14 1.51 -1.84 0.00 0.00 0.00 174.94 174.46 2jya n GLU 71 N 8.58 2.54 -3.89 2.79 0.28 -1.20 -4.27 120.64 125.47 2jya n GLU 71 Ca 0.27 0.90 -0.11 0.00 -0.16 0.00 0.00 57.16 58.06 2jya n GLU 71 Cb 0.45 -2.63 -0.10 0.00 1.43 0.00 0.00 31.44 30.60 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 -0.43 0.09 -0.01 -1.84 1.13 -1.26 -1.23 117.35 113.80 2jya s TYR 72 Ca 0.61 -0.25 0.06 0.00 -1.41 0.00 0.00 57.07 56.07 2jya s TYR 72 Cb -0.52 -0.08 -0.02 0.00 -1.10 0.00 0.00 41.96 40.25 2jya s TYR 72 CO 0.54 -0.31 -0.19 0.50 -2.51 0.00 0.00 175.55 173.58 2jya s ARG 73 N -1.78 1.52 -0.12 -3.49 3.00 -0.34 -4.92 118.95 112.82 2jya s ARG 73 Ca -0.12 -0.69 -0.04 0.00 -1.00 0.00 0.00 55.73 53.88 2jya s ARG 73 Cb -0.06 -1.48 -0.03 0.00 0.00 0.00 0.00 34.95 33.38 2jya s ARG 73 CO -0.00 0.40 0.03 0.08 0.00 0.00 0.00 175.30 175.81 2jya s VAL 74 N -0.47 4.53 0.11 7.11 1.01 -1.26 -2.01 120.40 129.41 2jya s VAL 74 Ca 0.07 -0.15 0.06 0.00 0.00 0.00 0.00 61.98 61.96 2jya s VAL 74 Cb -0.07 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 2jya s VAL 74 CO -0.01 0.57 -0.06 -0.63 0.00 0.00 0.00 175.10 174.98 2jya s ILE 75 N -0.51 3.63 0.59 2.22 1.09 0.16 -4.95 121.20 123.43 2jya s ILE 75 Ca 0.09 -1.19 -0.16 0.00 -1.10 0.00 0.00 60.65 58.30 2jya s ILE 75 Cb -0.12 -2.72 -0.04 0.00 -1.06 0.00 0.00 42.46 38.52 2jya s ILE 75 CO 0.02 0.09 1.05 -0.76 -0.10 0.00 0.00 174.94 175.24 2jya s LEU 76 N -2.32 3.49 1.11 2.97 1.43 -1.26 -4.38 118.68 119.72 2jya s LEU 76 Ca 0.24 1.79 -0.13 0.00 -1.03 0.00 0.00 54.13 55.00 2jya s LEU 76 Cb -0.11 -4.53 0.25 0.00 0.03 0.00 0.00 46.19 41.83 2jya s LEU 76 CO 0.16 -1.13 1.05 -2.16 0.23 0.00 0.00 176.35 174.50 2jya s PRO 77 N -4.11 -0.47 0.59 1.29 0.04 -1.26 -4.58 135.00 126.50 2jya s PRO 77 Ca 0.63 0.71 0.38 0.00 0.04 0.00 0.00 61.00 62.76 2jya s PRO 77 Cb -0.15 -1.62 1.76 0.00 0.04 0.00 0.00 34.50 34.52 2jya s PRO 77 CO 0.37 -3.39 2.13 1.57 0.04 0.00 0.00 177.00 177.72 2jya h LYS 78 N -2.38 0.00 -0.64 4.56 5.09 -1.62 -2.49 116.57 119.09 2jya h LYS 78 Ca -0.59 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.15 2jya h LYS 78 Cb 1.33 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.66 2jya h LYS 78 CO 0.53 0.00 0.00 -0.85 -2.09 0.00 0.00 179.45 177.04 2jya n GLU 79 N -3.08 2.65 0.00 0.07 0.28 -1.26 -5.13 120.64 114.16 2jya n GLU 79 Ca -0.01 -2.32 0.08 0.00 -0.16 0.00 0.00 57.16 54.75 2jya n GLU 79 Cb 0.22 -1.56 0.48 0.00 1.43 0.00 0.00 31.44 32.01 2jya n GLU 79 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97