#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 3.57 -0.13 7.83 1.04 -1.25 -2.86 113.70 121.90 2jya s SER 2 Ca 0.00 -1.31 -0.07 0.00 0.48 0.00 0.00 55.95 55.05 2jya s SER 2 Cb 0.00 -0.62 -0.04 0.00 0.10 0.00 0.00 66.02 65.46 2jya s SER 2 CO 0.00 -0.40 0.11 0.00 0.98 0.00 0.00 173.24 173.94 2jya s ALA 3 N 1.84 3.75 -0.23 5.32 0.00 -0.24 -4.17 121.76 128.04 2jya s ALA 3 Ca 0.07 -0.67 -0.06 0.00 0.00 0.00 0.00 51.96 51.29 2jya s ALA 3 Cb -0.17 -1.91 -0.03 0.00 0.00 0.00 0.00 23.12 21.01 2jya s ALA 3 CO -0.25 0.55 0.04 -1.59 0.00 0.00 0.00 175.76 174.51 2jya s LYS 4 N -0.81 3.64 -0.24 0.00 -2.85 -0.08 -1.09 119.74 118.30 2jya s LYS 4 Ca 0.14 -0.49 -0.09 0.00 -1.00 0.00 0.00 55.97 54.53 2jya s LYS 4 Cb -0.12 -3.21 -0.04 0.00 -2.06 0.00 0.00 37.83 32.40 2jya s LYS 4 CO 0.03 -0.10 0.11 0.42 0.10 0.00 0.00 175.35 175.91 2jya s ILE 5 N 1.34 4.78 0.35 3.79 1.09 -0.61 -2.09 121.20 129.84 2jya s ILE 5 Ca 0.05 -0.02 -0.05 0.00 -1.10 0.00 0.00 60.65 59.53 2jya s ILE 5 Cb -0.15 -3.22 0.01 0.00 -1.06 0.00 0.00 42.46 38.04 2jya s ILE 5 CO 0.02 0.35 0.53 -0.72 -0.10 0.00 0.00 174.94 175.02 2jya s TYR 6 N 1.29 0.88 -0.32 3.97 1.13 -0.91 -0.51 117.35 122.88 2jya s TYR 6 Ca 0.06 -1.19 -0.02 0.00 -1.41 0.00 0.00 57.07 54.51 2jya s TYR 6 Cb -0.15 0.08 0.11 0.00 -1.10 0.00 0.00 41.96 40.90 2jya s TYR 6 CO 0.05 -1.20 0.15 0.50 -2.51 0.00 0.00 175.55 172.53 2jya s ARG 7 N -2.97 0.50 -0.06 -3.49 3.52 -1.26 -0.29 118.95 114.89 2jya s ARG 7 Ca 0.28 -0.96 -0.29 0.00 -0.13 0.00 0.00 55.73 54.62 2jya s ARG 7 Cb -0.01 -1.52 -0.07 0.00 -1.56 0.00 0.00 34.95 31.79 2jya s ARG 7 CO 0.18 -1.06 1.96 -1.25 -0.81 0.00 0.00 175.30 174.32 2jya s PRO 8 N 1.61 3.86 0.27 5.12 0.04 -1.26 -4.60 135.00 140.05 2jya s PRO 8 Ca 0.12 2.32 0.25 0.00 0.04 0.00 0.00 61.00 63.74 2jya s PRO 8 Cb -0.18 -4.18 0.89 0.00 0.04 0.00 0.00 34.50 31.06 2jya s PRO 8 CO -0.23 -1.27 1.76 0.00 0.04 0.00 0.00 177.00 177.30 2jya h ALA 9 N 11.62 1.00 0.00 8.56 0.00 -1.99 -3.05 119.26 135.40 2jya h ALA 9 Ca -0.45 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.36 2jya h ALA 9 Cb 1.22 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2jya h ALA 9 CO 0.95 0.00 -0.49 1.57 0.00 0.00 0.00 179.25 181.29 2jya h LYS 10 N 0.00 0.00 -6.67 0.00 2.10 -2.04 -3.43 116.57 106.53 2jya h LYS 10 Ca 0.00 0.00 -0.51 0.00 -2.00 0.00 0.00 60.65 58.14 2jya h LYS 10 Cb 0.59 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.91 2jya h LYS 10 CO 0.00 0.49 0.39 0.95 -2.00 0.00 0.00 179.45 179.28 2jya s THR 11 N -3.81 4.12 0.00 0.07 -4.23 -1.16 -5.08 115.64 105.56 2jya s THR 11 Ca -0.02 1.93 0.00 0.00 -1.18 0.00 0.00 61.69 62.42 2jya s THR 11 Cb 0.13 -4.23 0.00 0.00 1.34 0.00 0.00 72.50 69.74 2jya s THR 11 CO 0.73 0.38 0.00 0.00 -0.54 0.00 0.00 174.62 175.19 2jya n ALA 12 N 2.08 0.00 0.22 3.99 0.00 -1.26 -4.93 120.51 120.61 2jya n ALA 12 Ca 0.01 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.63 2jya n ALA 12 Cb 0.47 0.00 0.83 0.00 0.00 0.00 0.00 19.45 20.75 2jya n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jya h MET 13 N 0.00 0.00 -5.78 0.00 -0.00 -1.98 -3.38 114.93 103.79 2jya h MET 13 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 59.70 59.33 2jya h MET 13 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 31.60 31.54 2jya h MET 13 CO 0.00 0.00 0.95 -0.65 -0.00 0.00 0.00 176.91 177.21 2jya s GLN 14 N -4.44 2.79 0.00 -0.10 -0.21 -1.26 -4.56 119.66 111.88 2jya s GLN 14 Ca -0.04 -0.57 0.00 0.00 0.02 0.00 0.00 55.36 54.77 2jya s GLN 14 Cb 0.13 -5.15 0.00 0.00 1.00 0.00 0.00 33.01 28.99 2jya s GLN 14 CO 0.46 -3.16 0.19 0.45 -2.12 0.00 0.00 175.29 171.10 2jya n SER 15 N 12.84 0.38 -1.37 5.90 2.88 -1.26 -4.99 113.62 127.99 2jya n SER 15 Ca 0.39 -0.71 -0.09 0.00 -1.33 0.00 0.00 58.87 57.13 2jya n SER 15 Cb 0.48 0.28 0.02 0.00 -0.75 0.00 0.00 64.21 64.23 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 0.28 0.22 0.00 0.46 0.00 -1.26 -4.77 105.19 100.12 2jya n GLY 16 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.61 2jya n GLY 16 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2jya n THR 17 N -3.71 0.00 -0.77 2.61 5.66 -1.26 -5.17 114.28 111.63 2jya n THR 17 Ca -0.04 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.68 2jya n THR 17 Cb 0.55 0.00 0.23 0.00 -1.55 0.00 0.00 70.33 69.56 2jya n THR 17 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jya s ALA 18 N -1.00 -0.05 -1.09 1.79 0.00 -1.26 -4.85 121.76 115.29 2jya s ALA 18 Ca 0.00 -0.30 -0.23 0.00 0.00 0.00 0.00 51.96 51.42 2jya s ALA 18 Cb 0.00 -3.17 -0.08 0.00 0.00 0.00 0.00 23.12 19.87 2jya s ALA 18 CO 0.00 -3.58 1.95 0.21 0.00 0.00 0.00 175.76 174.34 2jya s LYS 19 N -4.69 2.44 -0.28 0.00 2.20 -1.26 -4.77 119.74 113.38 2jya s LYS 19 Ca 0.68 -0.86 -0.22 0.00 -0.36 0.00 0.00 55.97 55.20 2jya s LYS 19 Cb -0.22 -5.17 0.10 0.00 -1.51 0.00 0.00 37.83 31.03 2jya s LYS 19 CO 0.62 -3.88 0.88 -0.08 -0.36 0.00 0.00 175.35 172.53 2jya s THR 20 N 11.07 0.00 0.16 3.43 -1.32 -1.26 -5.10 115.64 122.62 2jya s THR 20 Ca 0.70 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.87 2jya s THR 20 Cb -0.03 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.88 2jya s THR 20 CO 0.09 0.00 1.39 0.20 -2.21 0.00 0.00 174.62 174.09 2jya s ASN 21 N 0.66 6.80 0.51 8.08 -0.87 -1.26 -4.77 114.94 124.09 2jya s ASN 21 Ca -0.02 2.42 -0.12 0.00 -1.57 0.00 0.00 52.86 53.58 2jya s ASN 21 Cb -0.05 -2.60 -0.06 0.00 -0.02 0.00 0.00 41.25 38.52 2jya s ASN 21 CO -0.08 -0.64 0.92 0.54 -2.57 0.00 0.00 177.10 175.28 2jya s VAL 22 N 0.65 4.70 -0.06 1.60 0.11 -1.26 -4.98 120.40 121.16 2jya s VAL 22 Ca 0.62 0.83 -0.21 0.00 -2.93 0.00 0.00 61.98 60.29 2jya s VAL 22 Cb -0.38 -3.79 -0.04 0.00 -1.53 0.00 0.00 36.38 30.64 2jya s VAL 22 CO 0.35 -0.80 0.61 0.26 -3.33 0.00 0.00 175.10 172.18 2jya s TRP 23 N -2.74 3.60 -0.12 1.54 0.52 -0.48 -4.02 118.94 117.25 2jya s TRP 23 Ca 0.54 1.14 -0.06 0.00 0.02 0.00 0.00 56.10 57.74 2jya s TRP 23 Cb -0.10 -2.67 -0.04 0.00 -1.15 0.00 0.00 33.47 29.51 2jya s TRP 23 CO 0.40 0.21 0.12 0.08 0.02 0.00 0.00 176.95 177.77 2jya s VAL 24 N 0.38 5.31 -0.35 4.03 1.01 0.60 -1.13 120.40 130.26 2jya s VAL 24 Ca 0.32 0.13 -0.02 0.00 0.00 0.00 0.00 61.98 62.42 2jya s VAL 24 Cb -0.17 -3.30 0.08 0.00 0.00 0.00 0.00 36.38 32.99 2jya s VAL 24 CO 0.16 0.62 0.10 -0.22 0.00 0.00 0.00 175.10 175.75 2jya s LEU 25 N -0.99 4.60 -0.12 3.92 1.98 -0.26 -2.13 118.68 125.68 2jya s LEU 25 Ca 0.15 -1.72 -0.00 0.00 -2.89 0.00 0.00 54.13 49.67 2jya s LEU 25 Cb -0.12 -1.75 -0.02 0.00 0.66 0.00 0.00 46.19 44.96 2jya s LEU 25 CO 0.04 -0.40 -0.12 -0.70 -1.89 0.00 0.00 176.35 173.28 2jya s GLU 26 N 1.16 3.28 0.04 1.98 2.12 -0.89 -1.04 118.70 125.35 2jya s GLU 26 Ca 0.03 -0.66 -0.05 0.00 0.36 0.00 0.00 54.97 54.65 2jya s GLU 26 Cb -0.21 -2.63 -0.01 0.00 0.26 0.00 0.00 34.13 31.54 2jya s GLU 26 CO -0.03 0.29 0.07 -0.59 -0.54 0.00 0.00 175.26 174.46 2jya s PHE 27 N 0.16 0.24 -0.21 5.30 -0.71 -0.45 -0.90 117.98 121.40 2jya s PHE 27 Ca -0.06 -0.57 -0.29 0.00 -1.04 0.00 0.00 56.93 54.97 2jya s PHE 27 Cb -0.15 -0.17 -0.03 0.00 -1.21 0.00 0.00 43.02 41.46 2jya s PHE 27 CO 0.05 -0.35 1.60 0.16 -1.34 0.00 0.00 175.22 175.33 2jya s ASP 28 N -2.15 6.41 0.32 1.98 -4.77 -1.26 -1.44 116.67 115.76 2jya s ASP 28 Ca -0.05 1.63 -0.28 0.00 -3.30 0.00 0.00 52.55 50.55 2jya s ASP 28 Cb -0.01 -2.53 -0.10 0.00 -1.09 0.00 0.00 42.92 39.19 2jya s ASP 28 CO -0.05 -1.23 1.19 0.00 0.70 0.00 0.00 175.17 175.78 2jya s ALA 29 N 5.08 3.40 -2.00 2.11 0.00 -0.24 -4.69 121.76 125.43 2jya s ALA 29 Ca 0.71 1.05 0.19 0.00 0.00 0.00 0.00 51.96 53.91 2jya s ALA 29 Cb -0.25 -3.39 1.14 0.00 0.00 0.00 0.00 23.12 20.62 2jya s ALA 29 CO 0.29 -0.40 1.53 -0.85 0.00 0.00 0.00 175.76 176.32 2jya n GLU 30 N 0.86 0.60 -2.23 0.00 0.28 -1.26 -4.34 120.64 114.54 2jya n GLU 30 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.58 2jya n GLU 30 Cb 0.44 -1.50 -0.03 0.00 1.43 0.00 0.00 31.44 31.78 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 -2.00 3.58 0.00 3.84 0.11 -1.26 -5.05 120.40 119.62 2jya s VAL 31 Ca 0.29 1.09 0.00 0.00 -2.93 0.00 0.00 61.98 60.42 2jya s VAL 31 Cb 0.13 -3.70 0.00 0.00 -1.53 0.00 0.00 36.38 31.28 2jya s VAL 31 CO 0.22 0.05 0.00 -2.65 -3.33 0.00 0.00 175.10 169.39 2jya n PRO 32 N 4.44 0.19 0.01 1.54 -0.02 -1.26 -4.23 135.00 135.67 2jya n PRO 32 Ca 0.12 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.64 2jya n PRO 32 Cb 0.43 0.00 0.19 0.00 -0.02 0.00 0.00 33.50 34.10 2jya n PRO 32 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 2jya n ARG 33 N -0.56 0.01 -1.66 -0.52 -4.01 -1.26 -4.59 116.66 104.07 2jya n ARG 33 Ca 0.00 0.39 -0.32 0.00 -1.04 0.00 0.00 57.85 56.87 2jya n ARG 33 Cb 0.00 -1.53 -0.04 0.00 -3.04 0.00 0.00 32.46 27.85 2jya n ARG 33 CO 0.00 0.00 0.00 0.21 -3.04 0.00 0.00 177.63 174.80 2jya s LYS 34 N -3.03 2.11 0.66 2.89 2.47 -1.26 -4.96 119.74 118.63 2jya s LYS 34 Ca 0.03 1.04 -0.07 0.00 -1.56 0.00 0.00 55.97 55.41 2jya s LYS 34 Cb 0.05 -4.61 0.03 0.00 -1.46 0.00 0.00 37.83 31.84 2jya s LYS 34 CO 0.15 -3.41 0.99 0.96 0.16 0.00 0.00 175.35 174.20 2jya s ILE 35 N 12.08 3.01 -0.11 5.43 -4.36 -1.26 -5.08 121.20 130.91 2jya s ILE 35 Ca 0.90 -0.02 -0.27 0.00 -0.26 0.00 0.00 60.65 61.00 2jya s ILE 35 Cb -0.15 -3.26 -0.02 0.00 1.25 0.00 0.00 42.46 40.28 2jya s ILE 35 CO 0.21 -0.29 0.87 -1.81 0.24 0.00 0.00 174.94 174.16 2jya s ASP 36 N -4.41 7.10 0.00 4.36 1.01 -1.26 -4.97 116.67 118.50 2jya s ASP 36 Ca 0.57 1.34 0.10 0.00 0.71 0.00 0.00 52.55 55.27 2jya s ASP 36 Cb -0.11 -2.49 0.55 0.00 1.01 0.00 0.00 42.92 41.88 2jya s ASP 36 CO 0.46 -0.34 1.11 -0.81 0.21 0.00 0.00 175.17 175.80 2jya n PRO 37 N 4.72 0.23 -0.01 8.23 -0.04 -1.26 -1.41 135.00 145.47 2jya n PRO 37 Ca 0.05 0.09 -0.11 0.00 -0.04 0.00 0.00 63.50 63.49 2jya n PRO 37 Cb 0.50 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.40 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 1.03 -0.49 0.52 1.08 -2.06 -3.46 117.51 114.12 2jya h ILE 38 Ca 0.00 -0.05 -0.57 0.00 -0.39 0.00 0.00 64.86 63.85 2jya h ILE 38 Cb 0.04 0.87 -0.03 0.00 -3.07 0.00 0.00 36.82 34.63 2jya h ILE 38 CO 0.00 0.03 -0.23 0.00 -0.69 0.00 0.00 178.15 177.25 2jya s MET 39 N -6.18 2.23 0.23 2.37 0.23 -0.50 -5.15 119.30 112.53 2jya s MET 39 Ca -0.13 -1.98 -0.03 0.00 -1.03 0.00 0.00 55.69 52.52 2jya s MET 39 Cb 0.07 -2.21 0.05 0.00 -1.53 0.00 0.00 34.83 31.21 2jya s MET 39 CO 0.68 -0.75 0.32 0.41 -2.03 0.00 0.00 175.02 173.65 2jya n GLY 40 N -1.93 -0.47 0.11 3.16 0.00 -1.26 -4.79 105.19 100.01 2jya n GLY 40 Ca 0.02 -1.79 -0.13 0.00 0.00 0.00 0.00 46.02 44.12 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 -2.21 0.18 0.24 1.61 9.36 -1.26 -4.60 117.16 120.47 2jya n TYR 41 Ca 0.04 0.05 0.12 0.00 3.32 0.00 0.00 57.90 61.43 2jya n TYR 41 Cb 0.15 -1.03 0.58 0.00 -0.63 0.00 0.00 39.34 38.41 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 -2.98 0.95 0.20 2.97 5.66 -1.26 -1.35 114.28 118.47 2jya n THR 42 Ca -0.35 0.58 0.08 0.00 -3.05 0.00 0.00 64.05 61.31 2jya n THR 42 Cb 1.09 -1.57 0.33 0.00 -1.55 0.00 0.00 70.33 68.64 2jya n THR 42 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 2jya h SER 43 N 0.00 0.00 -3.18 1.09 0.02 -2.01 -3.42 113.55 106.05 2jya h SER 43 Ca 0.00 0.00 -0.42 0.00 -0.84 0.00 0.00 61.79 60.53 2jya h SER 43 Cb 0.12 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 62.26 2jya h SER 43 CO 0.00 0.30 -0.75 -0.94 -1.14 0.00 0.00 176.83 174.31 2jya s SER 44 N -6.30 1.80 0.94 3.07 1.04 -0.45 -4.88 113.70 108.91 2jya s SER 44 Ca 0.01 -0.29 -0.05 0.00 0.48 0.00 0.00 55.95 56.10 2jya s SER 44 Cb 0.10 -0.21 0.08 0.00 0.10 0.00 0.00 66.02 66.09 2jya s SER 44 CO 0.67 -0.30 0.49 -0.24 0.98 0.00 0.00 173.24 174.84 2jya n SER 45 N 5.28 0.10 0.25 7.02 2.88 -1.25 -4.85 113.62 123.05 2jya n SER 45 Ca -0.05 -1.21 0.18 0.00 -1.33 0.00 0.00 58.87 56.45 2jya n SER 45 Cb 0.49 -0.37 0.89 0.00 -0.75 0.00 0.00 64.21 64.48 2jya n SER 45 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2jya h ASP 46 N -0.60 0.00 0.00 -3.46 5.19 -1.94 -3.17 116.42 112.44 2jya h ASP 46 Ca -0.16 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.25 2jya h ASP 46 Cb 0.45 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.96 2jya h ASP 46 CO 0.12 0.00 0.00 0.23 -3.12 0.00 0.00 179.24 176.47 2jya n MET 47 N -3.59 0.00 -1.27 3.56 2.81 -1.26 -4.17 117.12 113.21 2jya n MET 47 Ca 0.00 0.13 0.00 0.00 -1.81 0.00 0.00 57.70 56.02 2jya n MET 47 Cb 0.28 -0.76 0.00 0.00 -0.71 0.00 0.00 33.22 32.03 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 -0.89 0.00 -2.95 0.03 2.85 -1.20 -4.25 118.16 111.75 2jya n LYS 48 Ca 0.00 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.17 2jya n LYS 48 Cb 0.00 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.35 2jya n LYS 48 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2jya n GLN 49 N 0.00 0.42 -3.98 -1.58 10.64 -1.26 -3.79 117.38 117.83 2jya n GLN 49 Ca 0.00 -1.39 -0.22 0.00 -1.83 0.00 0.00 57.00 53.56 2jya n GLN 49 Cb 0.00 0.98 -0.04 0.00 -0.86 0.00 0.00 30.24 30.32 2jya n GLN 49 CO 0.00 0.00 0.00 1.14 -1.83 0.00 0.00 177.06 176.37 2jya s GLN 50 N -2.59 2.82 0.02 2.61 0.00 -1.26 -1.08 119.66 120.18 2jya s GLN 50 Ca 0.13 -1.17 0.01 0.00 -0.00 0.00 0.00 55.36 54.33 2jya s GLN 50 Cb 0.01 -2.52 -0.02 0.00 0.00 0.00 0.00 33.01 30.48 2jya s GLN 50 CO 0.09 0.26 -0.05 0.08 0.00 0.00 0.00 175.29 175.67 2jya s VAL 51 N -2.22 0.32 -0.06 3.63 1.01 -0.52 -4.75 120.40 117.82 2jya s VAL 51 Ca 0.36 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.55 2jya s VAL 51 Cb -0.07 -0.38 0.02 0.00 0.00 0.00 0.00 36.38 35.95 2jya s VAL 51 CO 0.26 -0.28 0.15 -1.59 0.00 0.00 0.00 175.10 173.63 2jya s LYS 52 N -1.09 0.16 0.24 2.72 -2.85 -1.26 -1.35 119.74 116.32 2jya s LYS 52 Ca -0.08 0.22 0.11 0.00 -1.00 0.00 0.00 55.97 55.22 2jya s LYS 52 Cb -0.07 0.06 -0.05 0.00 -2.06 0.00 0.00 37.83 35.71 2jya s LYS 52 CO -0.00 -0.03 -0.17 -0.51 0.10 0.00 0.00 175.35 174.73 2jya s LEU 53 N 0.19 2.67 -0.06 2.77 1.43 -0.20 -4.96 118.68 120.51 2jya s LEU 53 Ca -0.01 -0.89 0.05 0.00 -1.03 0.00 0.00 54.13 52.26 2jya s LEU 53 Cb -0.02 -1.26 -0.01 0.00 0.03 0.00 0.00 46.19 44.93 2jya s LEU 53 CO -0.00 0.06 -0.23 0.42 0.23 0.00 0.00 176.35 176.83 2jya s THR 54 N -2.16 2.22 0.02 5.49 -4.23 -1.26 -1.10 115.64 114.62 2jya s THR 54 Ca 0.27 -1.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.79 2jya s THR 54 Cb -0.06 -1.82 -0.02 0.00 1.34 0.00 0.00 72.50 71.93 2jya s THR 54 CO 0.14 0.57 -0.05 -0.36 -0.54 0.00 0.00 174.62 174.39 2jya s PHE 55 N -0.15 0.39 0.39 3.99 0.08 -0.28 -5.00 117.98 117.39 2jya s PHE 55 Ca -0.03 -0.44 0.08 0.00 0.12 0.00 0.00 56.93 56.65 2jya s PHE 55 Cb -0.14 -0.25 0.78 0.00 -0.57 0.00 0.00 43.02 42.84 2jya s PHE 55 CO 0.04 -0.12 1.94 0.93 -0.10 0.00 0.00 175.22 177.91 2jya h GLU 56 N 4.82 0.36 -4.81 0.44 5.08 -1.97 -1.27 114.58 117.23 2jya h GLU 56 Ca -0.32 -0.06 -0.29 0.00 -1.00 0.00 0.00 59.36 57.68 2jya h GLU 56 Cb 1.21 -0.06 -0.15 0.00 0.50 0.00 0.00 28.75 30.25 2jya h GLU 56 CO 0.42 0.40 -0.67 0.95 -1.00 0.00 0.00 179.01 179.12 2jya s THR 57 N -4.96 0.70 0.17 1.13 -4.23 -1.26 -4.55 115.64 102.64 2jya s THR 57 Ca -0.07 -1.98 -0.15 0.00 -1.18 0.00 0.00 61.69 58.32 2jya s THR 57 Cb 0.16 -2.10 0.05 0.00 1.34 0.00 0.00 72.50 71.94 2jya s THR 57 CO 0.74 -0.49 1.79 -0.61 -0.54 0.00 0.00 174.62 175.51 2jya h GLN 58 N 2.70 0.47 -0.84 3.99 4.15 -1.96 -2.99 115.11 120.63 2jya h GLN 58 Ca -0.37 -0.03 0.20 0.00 0.77 0.00 0.00 58.65 59.22 2jya h GLN 58 Cb 1.20 -0.11 -0.12 0.00 0.21 0.00 0.00 27.48 28.67 2jya h GLN 58 CO 0.63 0.31 0.31 0.93 -1.93 0.00 0.00 178.83 179.08 2jya h GLU 59 N 0.49 0.35 -0.19 1.69 5.08 -1.98 -1.40 114.58 118.61 2jya h GLU 59 Ca 0.19 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.39 2jya h GLU 59 Cb 0.06 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2jya h GLU 59 CO -0.11 0.23 -0.46 1.96 -1.00 0.00 0.00 179.01 179.62 2jya h GLN 60 N 0.36 0.48 0.05 2.33 4.20 -1.93 -0.42 115.11 120.18 2jya h GLN 60 Ca 0.51 -0.27 -0.28 0.00 0.06 0.00 0.00 58.65 58.68 2jya h GLN 60 Cb 0.93 0.01 0.02 0.00 0.30 0.00 0.00 27.48 28.74 2jya h GLN 60 CO -0.52 0.85 -1.12 0.00 -0.67 0.00 0.00 178.83 177.36 2jya h ALA 61 N 1.11 0.11 0.00 3.87 0.00 -1.32 -2.86 119.26 120.17 2jya h ALA 61 Ca 0.02 -0.74 -0.18 0.00 0.00 0.00 0.00 54.91 54.01 2jya h ALA 61 Cb 0.96 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2jya h ALA 61 CO 0.08 0.72 -0.86 1.05 0.00 0.00 0.00 179.25 180.24 2jya h GLU 62 N 0.31 0.01 -0.60 0.00 4.11 -1.33 -3.08 114.58 114.01 2jya h GLU 62 Ca -0.15 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.27 2jya h GLU 62 Cb 1.78 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 31.01 2jya h GLU 62 CO 0.21 0.86 0.39 0.00 0.07 0.00 0.00 179.01 180.55 2jya h ALA 63 N 1.13 1.56 0.77 1.06 0.00 -1.06 -0.19 119.26 122.53 2jya h ALA 63 Ca -0.01 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2jya h ALA 63 Cb 1.52 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 19.07 2jya h ALA 63 CO 0.11 0.40 -0.37 -0.92 0.00 0.00 0.00 179.25 178.48 2jya h TYR 64 N 0.82 -0.95 -0.53 0.00 3.20 -1.48 -2.30 116.97 115.72 2jya h TYR 64 Ca 0.22 -0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.17 2jya h TYR 64 Cb -0.09 0.32 -0.08 0.00 1.54 0.00 0.00 36.73 38.41 2jya h TYR 64 CO 0.00 -0.58 0.03 0.00 -1.64 0.00 0.00 178.16 175.98 2jya h ALA 65 N -0.98 0.54 -0.37 1.82 0.00 -1.43 -1.89 119.26 116.96 2jya h ALA 65 Ca -0.11 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2jya h ALA 65 Cb 0.81 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 2jya h ALA 65 CO 0.17 -0.37 0.22 1.96 0.00 0.00 0.00 179.25 181.23 2jya h GLN 66 N 0.15 0.50 -0.51 0.00 4.20 -1.08 0.47 115.11 118.84 2jya h GLN 66 Ca 0.27 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.95 2jya h GLN 66 Cb 0.41 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.06 2jya h GLN 66 CO -0.42 0.39 0.34 -0.09 -0.67 0.00 0.00 178.83 178.38 2jya h ARG 67 N 0.48 0.63 0.00 1.46 2.43 -1.03 -2.25 114.38 116.10 2jya h ARG 67 Ca 0.13 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 2jya h ARG 67 Cb 0.02 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.42 2jya h ARG 67 CO -0.02 0.42 -0.80 0.87 -1.51 0.00 0.00 179.97 178.92 2jya h LYS 68 N 0.65 0.00 0.00 0.20 1.79 -0.91 -3.48 116.57 114.82 2jya h LYS 68 Ca 0.20 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 2jya h LYS 68 Cb -0.01 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 2jya h LYS 68 CO -0.05 0.03 0.00 0.41 -1.08 0.00 0.00 179.45 178.76 2jya n GLY 69 N 1.18 0.72 3.60 3.86 0.00 0.70 -5.03 105.19 110.22 2jya n GLY 69 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 2jya n GLY 69 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2jya n ILE 70 N -2.00 0.42 -1.73 -0.61 5.41 0.13 -4.92 119.36 116.05 2jya n ILE 70 Ca 0.00 -0.38 -0.42 0.00 1.00 0.00 0.00 62.75 62.95 2jya n ILE 70 Cb 0.00 -2.43 -0.01 0.00 -0.71 0.00 0.00 39.64 36.49 2jya n ILE 70 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 2jya n GLU 71 N 8.42 2.45 -3.82 0.38 0.28 -1.14 -4.30 120.64 122.92 2jya n GLU 71 Ca 0.29 0.87 -0.12 0.00 -0.16 0.00 0.00 57.16 58.03 2jya n GLU 71 Cb 0.42 -2.56 -0.10 0.00 1.43 0.00 0.00 31.44 30.63 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 -0.70 -0.07 -0.19 -1.84 -0.85 -1.26 -1.08 117.35 111.37 2jya s TYR 72 Ca 0.58 0.10 -0.02 0.00 -0.52 0.00 0.00 57.07 57.21 2jya s TYR 72 Cb -0.53 0.02 -0.00 0.00 0.38 0.00 0.00 41.96 41.83 2jya s TYR 72 CO 0.58 -0.31 -0.10 0.50 -1.52 0.00 0.00 175.55 174.70 2jya s ARG 73 N -1.20 3.30 -0.01 -3.49 6.06 -0.25 -4.94 118.95 118.42 2jya s ARG 73 Ca -0.13 -0.68 -0.17 0.00 -2.50 0.00 0.00 55.73 52.25 2jya s ARG 73 Cb -0.06 -2.81 -0.06 0.00 0.06 0.00 0.00 34.95 32.08 2jya s ARG 73 CO 0.02 -0.08 0.48 0.14 -2.50 0.00 0.00 175.30 173.37 2jya s VAL 74 N 1.11 4.98 -0.04 7.11 -7.23 -1.26 -1.57 120.40 123.49 2jya s VAL 74 Ca 0.01 1.00 0.06 0.00 -1.81 0.00 0.00 61.98 61.24 2jya s VAL 74 Cb -0.14 -3.81 -0.01 0.00 0.56 0.00 0.00 36.38 32.98 2jya s VAL 74 CO -0.03 0.50 -0.23 -0.63 -0.31 0.00 0.00 175.10 174.40 2jya s ILE 75 N -0.58 1.83 -0.06 -0.62 1.09 0.34 -4.94 121.20 118.25 2jya s ILE 75 Ca 0.26 -0.96 -0.13 0.00 -1.10 0.00 0.00 60.65 58.72 2jya s ILE 75 Cb -0.17 -1.54 -0.05 0.00 -1.06 0.00 0.00 42.46 39.64 2jya s ILE 75 CO 0.14 0.52 0.33 -0.76 -0.10 0.00 0.00 174.94 175.07 2jya s LEU 76 N -0.27 4.40 0.00 2.97 1.43 -1.26 -4.33 118.68 121.62 2jya s LEU 76 Ca 0.01 0.76 -0.08 0.00 -1.03 0.00 0.00 54.13 53.80 2jya s LEU 76 Cb -0.11 -2.44 0.15 0.00 0.03 0.00 0.00 46.19 43.82 2jya s LEU 76 CO 0.02 0.29 0.96 -0.81 0.23 0.00 0.00 176.35 177.04 2jya n PRO 77 N 2.27 -0.59 0.06 1.29 -0.04 -1.26 -4.99 135.00 131.74 2jya n PRO 77 Ca -0.15 -1.90 -0.04 0.00 -0.04 0.00 0.00 63.50 61.37 2jya n PRO 77 Cb 0.53 -0.86 0.18 0.00 -0.04 0.00 0.00 33.50 33.30 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 0.34 0.00 0.54 5.09 -2.00 -3.35 116.57 117.20 2jya h LYS 78 Ca -0.31 -0.17 -0.27 0.00 0.09 0.00 0.00 60.65 59.98 2jya h LYS 78 Cb 0.97 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 33.27 2jya h LYS 78 CO 0.26 0.71 -1.76 -0.85 -2.09 0.00 0.00 179.45 175.73 2jya n GLU 79 N -4.01 0.56 -0.27 0.07 -0.00 -1.26 -5.22 120.64 110.51 2jya n GLU 79 Ca -0.02 0.34 0.00 0.00 -0.00 0.00 0.00 57.16 57.49 2jya n GLU 79 Cb 0.50 -1.55 0.00 0.00 -0.00 0.00 0.00 31.44 30.39 2jya n GLU 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13