#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 5.07 -0.21 7.83 1.04 -1.26 -2.81 113.70 123.37 2jya s SER 2 Ca 0.00 -0.15 -0.08 0.00 0.48 0.00 0.00 55.95 56.19 2jya s SER 2 Cb 0.00 -1.88 -0.04 0.00 0.10 0.00 0.00 66.02 64.19 2jya s SER 2 CO 0.00 0.05 0.10 0.00 0.98 0.00 0.00 173.24 174.37 2jya s ALA 3 N 1.10 3.46 -0.20 5.32 0.00 -0.38 -2.41 121.76 128.65 2jya s ALA 3 Ca 0.03 -0.82 -0.05 0.00 0.00 0.00 0.00 51.96 51.12 2jya s ALA 3 Cb -0.14 -2.07 -0.02 0.00 0.00 0.00 0.00 23.12 20.88 2jya s ALA 3 CO 0.02 0.00 -0.00 -1.59 0.00 0.00 0.00 175.76 174.20 2jya s LYS 4 N 0.69 3.60 -0.23 0.00 -2.85 0.32 -0.68 119.74 120.59 2jya s LYS 4 Ca 0.05 -0.53 -0.06 0.00 -1.00 0.00 0.00 55.97 54.43 2jya s LYS 4 Cb -0.13 -3.08 -0.02 0.00 -2.06 0.00 0.00 37.83 32.54 2jya s LYS 4 CO 0.02 -0.01 0.03 0.42 0.10 0.00 0.00 175.35 175.91 2jya s ILE 5 N 1.05 4.04 0.11 3.79 1.09 -1.00 -1.91 121.20 128.37 2jya s ILE 5 Ca 0.02 -0.27 -0.13 0.00 -1.10 0.00 0.00 60.65 59.17 2jya s ILE 5 Cb -0.14 -2.86 0.02 0.00 -1.06 0.00 0.00 42.46 38.41 2jya s ILE 5 CO 0.01 0.38 0.30 -0.72 -0.10 0.00 0.00 174.94 174.82 2jya s TYR 6 N 1.42 -0.04 -0.39 3.97 1.13 -0.75 -0.61 117.35 122.08 2jya s TYR 6 Ca 0.05 -0.33 0.03 0.00 -1.41 0.00 0.00 57.07 55.41 2jya s TYR 6 Cb -0.15 0.11 0.11 0.00 -1.10 0.00 0.00 41.96 40.94 2jya s TYR 6 CO 0.02 -0.63 0.13 1.03 -2.51 0.00 0.00 175.55 173.58 2jya s ARG 7 N -3.83 1.50 0.81 -3.49 0.52 -1.26 -0.70 118.95 112.51 2jya s ARG 7 Ca 0.04 -1.99 -0.12 0.00 -0.52 0.00 0.00 55.73 53.14 2jya s ARG 7 Cb 0.03 -3.03 0.08 0.00 0.52 0.00 0.00 34.95 32.55 2jya s ARG 7 CO -0.11 -1.01 1.10 -1.25 0.02 0.00 0.00 175.30 174.05 2jya s PRO 8 N 0.63 1.95 0.20 3.54 0.04 -1.26 -2.82 135.00 137.28 2jya s PRO 8 Ca 0.13 0.61 -0.09 0.00 0.04 0.00 0.00 61.00 61.68 2jya s PRO 8 Cb -0.21 -1.91 0.14 0.00 0.04 0.00 0.00 34.50 32.56 2jya s PRO 8 CO -0.07 -1.70 1.78 0.00 0.04 0.00 0.00 177.00 177.04 2jya h ALA 9 N -1.15 0.95 -3.29 8.56 0.00 -2.00 -3.37 119.26 118.97 2jya h ALA 9 Ca -0.47 -0.16 -0.68 0.00 0.00 0.00 0.00 54.91 53.59 2jya h ALA 9 Cb 1.28 -0.29 -0.31 0.00 0.00 0.00 0.00 17.79 18.47 2jya h ALA 9 CO 0.59 0.54 -0.68 -1.59 0.00 0.00 0.00 179.25 178.11 2jya s LYS 10 N -5.64 2.69 0.27 0.00 -2.85 -1.26 -5.07 119.74 107.88 2jya s LYS 10 Ca -0.13 -1.10 -0.04 0.00 -1.00 0.00 0.00 55.97 53.71 2jya s LYS 10 Cb 0.15 -3.21 -0.05 0.00 -2.06 0.00 0.00 37.83 32.65 2jya s LYS 10 CO 0.82 -0.54 0.52 0.95 0.10 0.00 0.00 175.35 177.20 2jya s THR 11 N 1.35 5.06 -0.69 3.79 -4.23 -1.26 -5.01 115.64 114.65 2jya s THR 11 Ca -0.02 -0.03 -0.26 0.00 -1.18 0.00 0.00 61.69 60.20 2jya s THR 11 Cb -0.18 -3.73 -0.04 0.00 1.34 0.00 0.00 72.50 69.88 2jya s THR 11 CO -0.01 -0.28 1.99 0.00 -0.54 0.00 0.00 174.62 175.78 2jya s ALA 12 N -2.03 1.87 0.12 3.99 0.00 -1.26 -4.83 121.76 119.61 2jya s ALA 12 Ca 0.43 -0.83 0.19 0.00 0.00 0.00 0.00 51.96 51.76 2jya s ALA 12 Cb -0.11 -4.40 0.65 0.00 0.00 0.00 0.00 23.12 19.26 2jya s ALA 12 CO 0.30 -4.36 1.71 0.52 0.00 0.00 0.00 175.76 173.93 2jya h MET 13 N 14.34 0.00 -5.37 0.00 2.86 -1.95 -3.46 114.93 121.35 2jya h MET 13 Ca -0.14 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 2jya h MET 13 Cb 1.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.78 2jya h MET 13 CO 1.20 0.36 -0.92 0.94 1.06 0.00 0.00 176.91 179.54 2jya n GLN 14 N -3.46 -2.86 -1.37 1.72 -0.06 -1.26 -1.54 117.38 108.55 2jya n GLN 14 Ca 0.00 2.39 -0.13 0.00 -2.00 0.00 0.00 57.00 57.26 2jya n GLN 14 Cb 0.52 -4.77 -0.05 0.00 -4.06 0.00 0.00 30.24 21.87 2jya n GLN 14 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 2jya n SER 15 N 0.58 -5.16 -1.36 1.69 2.88 -1.26 -2.36 113.62 108.63 2jya n SER 15 Ca 0.02 0.31 -0.12 0.00 -1.33 0.00 0.00 58.87 57.75 2jya n SER 15 Cb 0.17 -3.78 -0.01 0.00 -0.75 0.00 0.00 64.21 59.84 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 -0.58 0.03 0.13 0.46 0.00 -1.22 -4.96 105.19 99.05 2jya n GLY 16 Ca -0.13 -0.38 -0.23 0.00 0.00 0.00 0.00 46.02 45.29 2jya n GLY 16 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2jya h THR 17 N 0.00 1.19 -3.39 2.61 1.35 -0.89 -3.47 112.91 110.31 2jya h THR 17 Ca -0.29 -2.55 -0.53 0.00 -0.55 0.00 0.00 66.41 62.50 2jya h THR 17 Cb 1.17 2.94 0.05 0.00 -1.73 0.00 0.00 68.15 70.58 2jya h THR 17 CO 0.35 0.78 0.73 0.00 -0.25 0.00 0.00 175.52 177.13 2jya s ALA 18 N -2.53 3.60 0.00 6.62 0.00 -0.59 -4.99 121.76 123.87 2jya s ALA 18 Ca -0.14 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.08 2jya s ALA 18 Cb 0.04 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.62 2jya s ALA 18 CO 0.86 -0.68 0.00 1.63 0.00 0.00 0.00 175.76 177.57 2jya n LYS 19 N 2.40 0.00 -1.98 0.00 4.76 -1.26 -4.91 118.16 117.17 2jya n LYS 19 Ca 0.06 0.13 -0.29 0.00 -2.87 0.00 0.00 58.31 55.34 2jya n LYS 19 Cb 0.41 -0.55 0.20 0.00 -1.84 0.00 0.00 35.03 33.24 2jya n LYS 19 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2jya n THR 20 N -2.10 0.00 -1.91 -0.18 -2.24 -1.26 -4.93 114.28 101.66 2jya n THR 20 Ca 0.00 -1.05 -0.26 0.00 -2.27 0.00 0.00 64.05 60.47 2jya n THR 20 Cb 0.00 -1.44 -0.05 0.00 -2.10 0.00 0.00 70.33 66.74 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 -5.79 4.83 0.60 3.42 -0.87 -1.26 -4.96 114.94 110.90 2jya s ASN 21 Ca 0.75 -0.24 -0.17 0.00 -1.57 0.00 0.00 52.86 51.63 2jya s ASN 21 Cb -0.02 -2.55 -0.03 0.00 -0.02 0.00 0.00 41.25 38.63 2jya s ASN 21 CO 0.52 -2.96 1.10 0.54 -2.57 0.00 0.00 177.10 173.73 2jya s VAL 22 N 11.15 3.38 -0.12 1.60 0.11 -1.26 -5.00 120.40 130.26 2jya s VAL 22 Ca 0.76 0.72 -0.27 0.00 -2.93 0.00 0.00 61.98 60.26 2jya s VAL 22 Cb -0.10 -3.24 -0.02 0.00 -1.53 0.00 0.00 36.38 31.50 2jya s VAL 22 CO 0.06 -0.32 0.90 0.26 -3.33 0.00 0.00 175.10 172.67 2jya s TRP 23 N -2.18 3.49 -0.15 1.54 0.52 -0.54 -4.65 118.94 116.97 2jya s TRP 23 Ca 0.68 1.42 -0.08 0.00 0.02 0.00 0.00 56.10 58.14 2jya s TRP 23 Cb -0.20 -3.07 -0.04 0.00 -1.15 0.00 0.00 33.47 29.00 2jya s TRP 23 CO 0.35 -0.19 0.13 0.08 0.02 0.00 0.00 176.95 177.35 2jya s VAL 24 N 1.88 5.46 -0.34 4.03 1.01 0.12 -1.30 120.40 131.27 2jya s VAL 24 Ca 0.43 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.61 2jya s VAL 24 Cb -0.18 -3.42 0.08 0.00 0.00 0.00 0.00 36.38 32.87 2jya s VAL 24 CO 0.16 0.55 0.06 -0.22 0.00 0.00 0.00 175.10 175.65 2jya s LEU 25 N -0.47 4.52 -0.13 3.92 2.96 -0.06 -1.82 118.68 127.61 2jya s LEU 25 Ca 0.12 -1.78 -0.05 0.00 -0.22 0.00 0.00 54.13 52.21 2jya s LEU 25 Cb -0.12 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 2jya s LEU 25 CO 0.02 -0.38 0.04 -0.70 -1.32 0.00 0.00 176.35 174.01 2jya s GLU 26 N 1.10 3.43 0.03 1.98 2.12 -0.80 -1.13 118.70 125.43 2jya s GLU 26 Ca 0.03 -0.35 -0.04 0.00 0.36 0.00 0.00 54.97 54.97 2jya s GLU 26 Cb -0.21 -3.00 -0.01 0.00 0.26 0.00 0.00 34.13 31.17 2jya s GLU 26 CO -0.05 0.54 0.06 -0.59 -0.54 0.00 0.00 175.26 174.68 2jya s PHE 27 N -0.40 0.23 -0.90 5.30 -0.71 -0.75 -0.52 117.98 120.22 2jya s PHE 27 Ca 0.09 -0.52 -0.26 0.00 -1.04 0.00 0.00 56.93 55.19 2jya s PHE 27 Cb -0.12 -0.17 -0.16 0.00 -1.21 0.00 0.00 43.02 41.37 2jya s PHE 27 CO 0.02 -0.32 2.27 0.34 -1.34 0.00 0.00 175.22 176.19 2jya s ASP 28 N -1.97 3.88 -0.40 1.98 2.15 -1.01 -3.00 116.67 118.30 2jya s ASP 28 Ca -0.07 -0.37 -0.29 0.00 0.43 0.00 0.00 52.55 52.24 2jya s ASP 28 Cb -0.03 -2.57 0.02 0.00 -0.30 0.00 0.00 42.92 40.04 2jya s ASP 28 CO -0.04 -4.04 1.24 0.00 -0.17 0.00 0.00 175.17 172.17 2jya s ALA 29 N 14.99 3.21 -0.29 3.66 0.00 0.81 -4.69 121.76 139.44 2jya s ALA 29 Ca 0.87 -0.21 -0.29 0.00 0.00 0.00 0.00 51.96 52.33 2jya s ALA 29 Cb -0.10 -3.86 -0.01 0.00 0.00 0.00 0.00 23.12 19.16 2jya s ALA 29 CO 0.10 -2.10 1.54 -1.83 0.00 0.00 0.00 175.76 173.47 2jya s GLU 30 N 4.44 3.70 -0.61 0.00 -1.05 -1.26 -1.62 118.70 122.29 2jya s GLU 30 Ca 0.53 1.39 -0.12 0.00 -0.15 0.00 0.00 54.97 56.62 2jya s GLU 30 Cb -0.12 -4.03 0.16 0.00 -0.44 0.00 0.00 34.13 29.70 2jya s GLU 30 CO 0.28 -1.40 0.52 0.54 0.95 0.00 0.00 175.26 176.15 2jya s VAL 31 N 5.35 4.84 0.00 1.83 0.11 -1.25 -4.98 120.40 126.29 2jya s VAL 31 Ca 0.68 -2.05 0.00 0.00 -2.93 0.00 0.00 61.98 57.68 2jya s VAL 31 Cb -0.20 -4.10 0.00 0.00 -1.53 0.00 0.00 36.38 30.55 2jya s VAL 31 CO 0.29 -0.89 0.00 -0.81 -3.33 0.00 0.00 175.10 170.36 2jya n PRO 32 N 4.56 0.32 -1.61 1.54 -0.04 -1.26 -4.63 135.00 133.89 2jya n PRO 32 Ca -0.01 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.13 2jya n PRO 32 Cb 0.42 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.84 2jya n PRO 32 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2jya s ARG 33 N -1.07 2.05 -0.46 0.54 1.70 -1.26 -4.83 118.95 115.62 2jya s ARG 33 Ca 0.00 1.15 0.05 0.00 -0.47 0.00 0.00 55.73 56.46 2jya s ARG 33 Cb 0.00 -4.62 0.18 0.00 -0.57 0.00 0.00 34.95 29.94 2jya s ARG 33 CO 0.00 -3.46 0.52 0.15 -1.08 0.00 0.00 175.30 171.43 2jya s LYS 34 N 8.28 0.97 0.47 3.89 -0.14 -1.26 -5.14 119.74 126.81 2jya s LYS 34 Ca 0.94 -1.59 -0.14 0.00 -1.36 0.00 0.00 55.97 53.81 2jya s LYS 34 Cb -0.16 -0.77 -0.07 0.00 -1.68 0.00 0.00 37.83 35.15 2jya s LYS 34 CO 0.22 -1.36 0.90 0.96 -0.76 0.00 0.00 175.35 175.31 2jya s ILE 35 N 0.48 4.63 -0.01 2.17 -5.25 -1.26 -5.07 121.20 116.87 2jya s ILE 35 Ca 0.31 0.99 -0.24 0.00 -0.99 0.00 0.00 60.65 60.72 2jya s ILE 35 Cb 0.02 -3.72 -0.04 0.00 2.95 0.00 0.00 42.46 41.66 2jya s ILE 35 CO -0.13 -0.61 0.75 -0.62 -1.79 0.00 0.00 174.94 172.54 2jya s ASP 36 N -3.08 7.11 0.56 4.36 -1.08 -1.26 -4.97 116.67 118.31 2jya s ASP 36 Ca 0.56 1.33 0.24 0.00 -0.52 0.00 0.00 52.55 54.16 2jya s ASP 36 Cb -0.10 -2.45 1.60 0.00 -1.46 0.00 0.00 42.92 40.52 2jya s ASP 36 CO 0.31 -0.07 2.21 1.55 0.52 0.00 0.00 175.17 179.69 2jya h PRO 37 N 6.28 0.00 -0.06 4.34 0.13 -1.98 0.61 132.00 141.32 2jya h PRO 37 Ca -0.42 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.51 2jya h PRO 37 Cb 1.20 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.35 2jya h PRO 37 CO 0.73 0.00 -0.71 0.82 -0.23 0.00 0.00 178.00 178.61 2jya h ILE 38 N 0.00 1.34 0.00 -3.56 1.08 -2.05 -3.31 117.51 111.01 2jya h ILE 38 Ca 0.01 -2.02 0.00 0.00 -0.39 0.00 0.00 64.86 62.46 2jya h ILE 38 Cb 0.04 2.30 0.00 0.00 -3.07 0.00 0.00 36.82 36.09 2jya h ILE 38 CO -0.00 0.61 -0.53 0.24 -0.69 0.00 0.00 178.15 177.78 2jya h MET 39 N 0.21 0.00 0.00 2.37 2.86 -1.86 -3.49 114.93 115.02 2jya h MET 39 Ca -0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2jya h MET 39 Cb 1.37 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.03 2jya h MET 39 CO 0.14 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.52 2jya n GLY 40 N 1.20 3.46 3.58 8.32 0.00 0.16 -4.38 105.19 117.53 2jya n GLY 40 Ca 0.02 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 2jya n GLY 40 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jya s TYR 41 N 0.00 2.13 -0.29 1.61 1.51 -1.26 -4.31 117.35 116.73 2jya s TYR 41 Ca 0.00 0.57 0.01 0.00 -1.01 0.00 0.00 57.07 56.65 2jya s TYR 41 Cb 0.00 -4.29 0.09 0.00 -0.11 0.00 0.00 41.96 37.64 2jya s TYR 41 CO 0.00 -2.18 0.03 -0.08 -1.11 0.00 0.00 175.55 172.21 2jya s THR 42 N 6.55 1.60 0.23 -0.71 -1.32 -1.26 -4.97 115.64 115.76 2jya s THR 42 Ca 0.60 -1.66 0.35 0.00 -1.21 0.00 0.00 61.69 59.77 2jya s THR 42 Cb -0.13 -2.07 0.39 0.00 -1.51 0.00 0.00 72.50 69.18 2jya s THR 42 CO 0.27 -0.44 2.05 -1.28 -2.21 0.00 0.00 174.62 173.01 2jya h SER 43 N 7.87 0.00 -0.60 8.08 0.87 -1.97 -3.37 113.55 124.44 2jya h SER 43 Ca -0.12 0.00 -0.58 0.00 -1.23 0.00 0.00 61.79 59.86 2jya h SER 43 Cb 1.04 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.94 2jya h SER 43 CO 0.47 0.02 1.99 -0.24 -0.53 0.00 0.00 176.83 178.54 2jya n SER 44 N -3.14 4.13 -3.10 6.23 2.88 -1.26 -4.65 113.62 114.72 2jya n SER 44 Ca -0.00 -2.83 0.03 0.00 -1.33 0.00 0.00 58.87 54.73 2jya n SER 44 Cb 0.27 -1.70 -0.00 0.00 -0.75 0.00 0.00 64.21 62.03 2jya n SER 44 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2jya s SER 45 N 4.81 -1.16 0.57 -3.46 0.15 -1.26 -5.10 113.70 108.26 2jya s SER 45 Ca 0.58 -0.29 -0.20 0.00 0.70 0.00 0.00 55.95 56.73 2jya s SER 45 Cb 0.04 1.57 -0.04 0.00 -1.71 0.00 0.00 66.02 65.88 2jya s SER 45 CO 0.08 -0.16 1.28 -0.62 1.20 0.00 0.00 173.24 175.02 2jya s ASP 46 N 2.28 5.18 0.11 5.45 -1.08 -1.26 -4.95 116.67 122.40 2jya s ASP 46 Ca 0.16 2.57 -0.34 0.00 -0.52 0.00 0.00 52.55 54.42 2jya s ASP 46 Cb -0.04 -2.62 -0.13 0.00 -1.46 0.00 0.00 42.92 38.68 2jya s ASP 46 CO -0.16 -1.61 1.56 0.24 0.52 0.00 0.00 175.17 175.73 2jya h MET 47 N 1.14 -0.67 -4.97 4.34 2.86 -1.97 -3.45 114.93 112.20 2jya h MET 47 Ca -0.51 0.05 -0.47 0.00 -2.06 0.00 0.00 59.70 56.71 2jya h MET 47 Cb 1.30 0.15 -0.14 0.00 0.06 0.00 0.00 31.60 32.98 2jya h MET 47 CO 0.56 -0.45 -0.54 0.15 1.06 0.00 0.00 176.91 177.69 2jya s LYS 48 N -5.80 1.72 0.03 1.72 3.01 -1.26 -3.95 119.74 115.22 2jya s LYS 48 Ca -0.16 -2.01 0.01 0.00 -1.01 0.00 0.00 55.97 52.80 2jya s LYS 48 Cb 0.07 -0.32 -0.02 0.00 -1.01 0.00 0.00 37.83 36.54 2jya s LYS 48 CO 0.62 -0.45 -0.05 1.14 0.51 0.00 0.00 175.35 177.12 2jya s GLN 49 N -3.77 0.39 -0.76 1.68 -2.07 -0.64 -4.93 119.66 109.56 2jya s GLN 49 Ca 0.32 -0.62 -0.06 0.00 -1.82 0.00 0.00 55.36 53.19 2jya s GLN 49 Cb 0.04 -0.09 0.20 0.00 -1.09 0.00 0.00 33.01 32.07 2jya s GLN 49 CO 0.17 0.00 0.64 1.14 -1.32 0.00 0.00 175.29 175.92 2jya s GLN 50 N -1.36 3.08 0.44 9.60 0.00 -1.26 -0.14 119.66 130.03 2jya s GLN 50 Ca -0.12 -2.72 0.03 0.00 -0.00 0.00 0.00 55.36 52.55 2jya s GLN 50 Cb -0.09 -4.01 0.01 0.00 0.00 0.00 0.00 33.01 28.92 2jya s GLN 50 CO -0.00 -1.23 0.64 0.14 0.00 0.00 0.00 175.29 174.84 2jya s VAL 51 N -0.36 3.60 0.01 3.63 -7.23 -1.16 -4.83 120.40 114.05 2jya s VAL 51 Ca 0.20 -0.71 -0.04 0.00 -1.81 0.00 0.00 61.98 59.62 2jya s VAL 51 Cb -0.14 -3.30 -0.01 0.00 0.56 0.00 0.00 36.38 33.49 2jya s VAL 51 CO -0.07 -0.18 0.08 -1.59 -0.31 0.00 0.00 175.10 173.03 2jya s LYS 52 N -4.49 0.40 0.26 4.82 -2.85 -1.26 -1.81 119.74 114.81 2jya s LYS 52 Ca 0.50 -0.44 0.12 0.00 -1.00 0.00 0.00 55.97 55.15 2jya s LYS 52 Cb -0.10 0.16 -0.05 0.00 -2.06 0.00 0.00 37.83 35.78 2jya s LYS 52 CO 0.36 -0.09 -0.19 -0.51 0.10 0.00 0.00 175.35 175.03 2jya s LEU 53 N -1.32 2.63 -0.10 2.77 1.43 -0.28 -4.96 118.68 118.85 2jya s LEU 53 Ca -0.14 -0.96 0.03 0.00 -1.03 0.00 0.00 54.13 52.04 2jya s LEU 53 Cb -0.08 -1.18 0.01 0.00 0.03 0.00 0.00 46.19 44.96 2jya s LEU 53 CO 0.01 0.05 -0.21 0.42 0.23 0.00 0.00 176.35 176.85 2jya s THR 54 N -2.33 1.81 0.06 5.49 -4.23 -1.26 -0.88 115.64 114.30 2jya s THR 54 Ca 0.28 -0.87 0.05 0.00 -1.18 0.00 0.00 61.69 59.98 2jya s THR 54 Cb -0.06 -1.59 -0.03 0.00 1.34 0.00 0.00 72.50 72.17 2jya s THR 54 CO 0.15 0.50 -0.14 -0.36 -0.54 0.00 0.00 174.62 174.23 2jya s PHE 55 N 0.52 1.20 0.11 3.99 0.40 -0.42 -5.00 117.98 118.79 2jya s PHE 55 Ca -0.16 -0.42 0.28 0.00 -0.60 0.00 0.00 56.93 56.03 2jya s PHE 55 Cb -0.17 -0.69 1.08 0.00 0.51 0.00 0.00 43.02 43.75 2jya s PHE 55 CO 0.06 0.05 1.89 0.93 0.70 0.00 0.00 175.22 178.84 2jya h GLU 56 N 4.52 0.00 -5.01 0.44 5.08 -1.97 -1.42 114.58 116.21 2jya h GLU 56 Ca -0.40 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 57.64 2jya h GLU 56 Cb 1.19 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.27 2jya h GLU 56 CO 0.41 0.13 -0.73 0.95 -1.00 0.00 0.00 179.01 178.78 2jya s THR 57 N -3.66 1.03 0.20 1.13 -4.23 -1.26 -4.66 115.64 104.18 2jya s THR 57 Ca 0.01 -1.81 -0.11 0.00 -1.18 0.00 0.00 61.69 58.60 2jya s THR 57 Cb 0.10 -1.56 0.12 0.00 1.34 0.00 0.00 72.50 72.49 2jya s THR 57 CO 0.60 -0.64 1.84 -0.61 -0.54 0.00 0.00 174.62 175.28 2jya h GLN 58 N 3.25 0.77 -0.60 3.99 4.15 -1.96 -3.14 115.11 121.57 2jya h GLN 58 Ca -0.37 -0.05 0.03 0.00 0.77 0.00 0.00 58.65 59.03 2jya h GLN 58 Cb 1.19 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 28.67 2jya h GLN 58 CO 0.57 0.51 0.40 0.93 -1.93 0.00 0.00 178.83 179.31 2jya h GLU 59 N 0.79 0.70 -0.00 1.69 3.07 -1.99 -0.63 114.58 118.22 2jya h GLU 59 Ca 0.26 -0.04 -0.15 0.00 -0.50 0.00 0.00 59.36 58.93 2jya h GLU 59 Cb 0.01 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 27.74 2jya h GLU 59 CO -0.10 0.46 -0.70 1.96 -1.40 0.00 0.00 179.01 179.24 2jya h GLN 60 N 0.72 0.00 0.20 2.33 4.20 -1.97 -2.18 115.11 118.42 2jya h GLN 60 Ca 0.24 -0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.63 2jya h GLN 60 Cb 0.06 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.86 2jya h GLN 60 CO -0.06 0.70 -1.40 0.00 -0.67 0.00 0.00 178.83 177.40 2jya h ALA 61 N 1.30 -0.04 -0.20 3.87 0.00 -1.20 -3.01 119.26 119.98 2jya h ALA 61 Ca -0.01 -0.89 -0.18 0.00 0.00 0.00 0.00 54.91 53.83 2jya h ALA 61 Cb 1.24 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 2jya h ALA 61 CO 0.09 0.83 -0.61 1.05 0.00 0.00 0.00 179.25 180.61 2jya h GLU 62 N 0.12 0.67 -0.65 0.00 4.11 -1.27 -3.15 114.58 114.40 2jya h GLU 62 Ca -0.21 -0.46 0.06 0.00 0.07 0.00 0.00 59.36 58.82 2jya h GLU 62 Cb 2.09 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 31.37 2jya h GLU 62 CO 0.24 1.08 0.43 0.00 0.07 0.00 0.00 179.01 180.83 2jya h ALA 63 N 0.82 1.77 0.92 1.06 0.00 -1.43 -0.58 119.26 121.82 2jya h ALA 63 Ca -0.01 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2jya h ALA 63 Cb 1.19 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.82 2jya h ALA 63 CO 0.12 0.13 -0.44 -0.92 0.00 0.00 0.00 179.25 178.14 2jya h TYR 64 N 0.65 -1.15 -0.54 0.00 3.20 -1.51 -2.28 116.97 115.34 2jya h TYR 64 Ca 0.28 -0.03 0.10 0.00 3.14 0.00 0.00 58.73 62.22 2jya h TYR 64 Cb 0.26 0.38 -0.08 0.00 1.54 0.00 0.00 36.73 38.83 2jya h TYR 64 CO -0.00 -0.72 0.07 0.00 -1.64 0.00 0.00 178.16 175.87 2jya h ALA 65 N -1.37 0.58 -0.34 1.82 0.00 -1.43 -1.27 119.26 117.25 2jya h ALA 65 Ca -0.13 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2jya h ALA 65 Cb 0.95 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 2jya h ALA 65 CO 0.21 -0.34 0.21 1.96 0.00 0.00 0.00 179.25 181.28 2jya h GLN 66 N 0.19 0.46 -0.14 0.00 4.20 -1.17 0.47 115.11 119.11 2jya h GLN 66 Ca 0.28 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.91 2jya h GLN 66 Cb 0.41 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 2jya h GLN 66 CO -0.40 0.35 -0.08 -0.09 -0.67 0.00 0.00 178.83 177.93 2jya h ARG 67 N 0.44 0.22 0.00 1.46 2.43 -0.85 -2.47 114.38 115.61 2jya h ARG 67 Ca 0.12 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2jya h ARG 67 Cb 0.00 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 2jya h ARG 67 CO -0.02 0.31 -0.68 1.63 -1.51 0.00 0.00 179.97 179.70 2jya n LYS 68 N -4.33 0.29 -0.26 0.20 4.76 -0.53 -4.95 118.16 113.33 2jya n LYS 68 Ca -0.01 0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 2jya n LYS 68 Cb 0.23 -1.67 0.00 0.00 -1.84 0.00 0.00 35.03 31.75 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 1.34 0.87 3.58 0.72 0.00 0.16 -5.02 105.19 106.84 2jya n GLY 69 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.66 3.48 0.44 -0.61 1.01 0.14 -4.90 121.20 118.10 2jya s ILE 70 Ca 0.00 0.43 -0.24 0.00 0.00 0.00 0.00 60.65 60.84 2jya s ILE 70 Cb 0.00 -3.80 -0.09 0.00 0.01 0.00 0.00 42.46 38.58 2jya s ILE 70 CO 0.00 -0.61 1.14 -1.84 0.00 0.00 0.00 174.94 173.63 2jya n GLU 71 N 8.65 1.58 -4.10 2.79 0.00 -1.12 -3.88 120.64 124.56 2jya n GLU 71 Ca 0.21 0.57 -0.14 0.00 0.00 0.00 0.00 57.16 57.80 2jya n GLU 71 Cb 0.49 -2.23 -0.12 0.00 0.00 0.00 0.00 31.44 29.57 2jya n GLU 71 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.13 178.65 2jya s TYR 72 N -1.26 0.63 -0.17 -1.84 1.13 -1.26 -1.25 117.35 113.33 2jya s TYR 72 Ca 0.64 -0.37 -0.01 0.00 -1.41 0.00 0.00 57.07 55.92 2jya s TYR 72 Cb -0.52 -0.38 -0.01 0.00 -1.10 0.00 0.00 41.96 39.96 2jya s TYR 72 CO 0.56 -0.06 -0.11 0.50 -2.51 0.00 0.00 175.55 173.93 2jya s ARG 73 N -1.12 3.32 -0.15 -3.49 3.00 0.15 -4.90 118.95 115.75 2jya s ARG 73 Ca -0.06 -0.69 -0.20 0.00 -1.00 0.00 0.00 55.73 53.78 2jya s ARG 73 Cb -0.08 -2.74 -0.03 0.00 0.00 0.00 0.00 34.95 32.10 2jya s ARG 73 CO 0.00 0.02 0.56 0.08 0.00 0.00 0.00 175.30 175.96 2jya s VAL 74 N 0.84 5.11 -0.34 7.11 1.01 -1.26 -2.36 120.40 130.51 2jya s VAL 74 Ca -0.04 1.07 -0.09 0.00 0.00 0.00 0.00 61.98 62.93 2jya s VAL 74 Cb -0.15 -3.88 0.02 0.00 0.00 0.00 0.00 36.38 32.36 2jya s VAL 74 CO 0.00 0.22 0.15 -0.63 0.00 0.00 0.00 175.10 174.85 2jya s ILE 75 N 1.25 4.34 0.75 2.22 1.09 0.22 -4.93 121.20 126.15 2jya s ILE 75 Ca 0.28 -0.76 -0.15 0.00 -1.10 0.00 0.00 60.65 58.91 2jya s ILE 75 Cb -0.16 -3.34 0.04 0.00 -1.06 0.00 0.00 42.46 37.94 2jya s ILE 75 CO 0.11 -0.09 1.22 0.18 -0.10 0.00 0.00 174.94 176.26 2jya n LEU 76 N 4.94 4.94 -4.56 2.97 4.77 -1.26 -3.90 117.00 124.90 2jya n LEU 76 Ca -0.13 0.68 -0.28 0.00 -0.03 0.00 0.00 56.01 56.24 2jya n LEU 76 Cb 0.47 -1.52 0.22 0.00 -2.33 0.00 0.00 43.42 40.26 2jya n LEU 76 CO 0.34 -1.47 0.56 -2.16 -1.33 0.00 0.00 177.39 173.33 2jya s PRO 77 N -3.80 -0.42 0.00 3.23 0.04 -1.26 -4.60 135.00 128.19 2jya s PRO 77 Ca 0.77 0.75 0.00 0.00 0.04 0.00 0.00 61.00 62.55 2jya s PRO 77 Cb -0.33 -1.62 0.00 0.00 0.04 0.00 0.00 34.50 32.59 2jya s PRO 77 CO 0.47 -3.37 0.95 0.36 0.04 0.00 0.00 177.00 175.46 2jya n LYS 78 N -4.65 0.91 0.00 4.56 -0.00 -1.13 -2.73 118.16 115.13 2jya n LYS 78 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 2jya n LYS 78 Cb 0.55 -1.04 0.00 0.00 -0.00 0.00 0.00 35.03 34.54 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 0.59 0.00 0.00 -1.58 0.28 -1.26 -5.05 120.64 113.62 2jya n GLU 79 Ca 0.00 -0.01 0.11 0.00 -0.16 0.00 0.00 57.16 57.10 2jya n GLU 79 Cb 0.46 -0.02 0.65 0.00 1.43 0.00 0.00 31.44 33.95 2jya n GLU 79 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97