#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 3.35 -0.14 7.83 0.15 -1.26 -3.40 113.70 120.23 2jya s SER 2 Ca 0.00 -0.49 -0.08 0.00 0.70 0.00 0.00 55.95 56.08 2jya s SER 2 Cb 0.00 -1.47 -0.04 0.00 -1.71 0.00 0.00 66.02 62.80 2jya s SER 2 CO 0.00 0.16 0.12 0.00 1.20 0.00 0.00 173.24 174.73 2jya s ALA 3 N 0.34 3.76 -0.24 5.45 0.00 -0.34 -3.78 121.76 126.95 2jya s ALA 3 Ca -0.17 -0.67 -0.06 0.00 0.00 0.00 0.00 51.96 51.07 2jya s ALA 3 Cb -0.17 -1.99 -0.02 0.00 0.00 0.00 0.00 23.12 20.93 2jya s ALA 3 CO 0.08 0.46 0.02 -1.59 0.00 0.00 0.00 175.76 174.73 2jya s LYS 4 N -0.54 3.53 -0.23 0.00 -2.85 -0.03 -1.68 119.74 117.93 2jya s LYS 4 Ca 0.12 -0.55 -0.08 0.00 -1.00 0.00 0.00 55.97 54.47 2jya s LYS 4 Cb -0.12 -3.18 -0.04 0.00 -2.06 0.00 0.00 37.83 32.44 2jya s LYS 4 CO 0.02 -0.19 0.08 0.42 0.10 0.00 0.00 175.35 175.78 2jya s ILE 5 N 1.54 4.60 0.28 3.79 1.09 -0.79 -1.97 121.20 129.74 2jya s ILE 5 Ca 0.06 -0.08 -0.10 0.00 -1.10 0.00 0.00 60.65 59.42 2jya s ILE 5 Cb -0.15 -3.13 0.00 0.00 -1.06 0.00 0.00 42.46 38.13 2jya s ILE 5 CO 0.00 0.36 0.50 -0.72 -0.10 0.00 0.00 174.94 174.99 2jya s TYR 6 N 1.24 0.53 -0.31 3.97 1.13 -0.87 -0.39 117.35 122.65 2jya s TYR 6 Ca 0.05 -0.89 -0.02 0.00 -1.41 0.00 0.00 57.07 54.80 2jya s TYR 6 Cb -0.14 0.17 0.11 0.00 -1.10 0.00 0.00 41.96 41.00 2jya s TYR 6 CO 0.04 -1.08 0.15 0.50 -2.51 0.00 0.00 175.55 172.65 2jya s ARG 7 N -3.60 0.37 0.46 -3.49 3.52 -1.26 -0.37 118.95 114.58 2jya s ARG 7 Ca 0.24 -0.83 -0.22 0.00 -0.13 0.00 0.00 55.73 54.79 2jya s ARG 7 Cb -0.01 -1.32 -0.08 0.00 -1.56 0.00 0.00 34.95 31.99 2jya s ARG 7 CO 0.12 -1.07 1.09 -1.25 -0.81 0.00 0.00 175.30 173.39 2jya s PRO 8 N 1.74 3.83 0.36 5.12 0.04 -1.26 -4.36 135.00 140.46 2jya s PRO 8 Ca 0.12 1.57 0.04 0.00 0.04 0.00 0.00 61.00 62.77 2jya s PRO 8 Cb -0.18 -2.30 0.67 0.00 0.04 0.00 0.00 34.50 32.72 2jya s PRO 8 CO -0.25 -0.45 1.95 0.00 0.04 0.00 0.00 177.00 178.29 2jya h ALA 9 N 1.93 1.49 -2.44 8.56 0.00 -1.99 -3.33 119.26 123.47 2jya h ALA 9 Ca -0.49 -0.12 -0.77 0.00 0.00 0.00 0.00 54.91 53.53 2jya h ALA 9 Cb 1.23 -0.18 -0.24 0.00 0.00 0.00 0.00 17.79 18.61 2jya h ALA 9 CO 0.60 0.39 0.50 -1.59 0.00 0.00 0.00 179.25 179.15 2jya s LYS 10 N -5.27 3.84 0.50 0.00 -2.85 -1.26 -4.85 119.74 109.86 2jya s LYS 10 Ca -0.08 -2.57 0.03 0.00 -1.00 0.00 0.00 55.97 52.34 2jya s LYS 10 Cb 0.16 -4.64 0.09 0.00 -2.06 0.00 0.00 37.83 31.39 2jya s LYS 10 CO 0.76 -1.43 0.69 0.25 0.10 0.00 0.00 175.35 175.72 2jya n THR 11 N 3.96 0.00 -1.97 3.79 -2.24 -1.25 -5.03 114.28 111.54 2jya n THR 11 Ca 0.22 -1.27 -0.41 0.00 -2.27 0.00 0.00 64.05 60.32 2jya n THR 11 Cb 0.45 -0.88 -0.01 0.00 -2.10 0.00 0.00 70.33 67.79 2jya n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jya s ALA 12 N -2.87 3.50 -1.07 6.98 0.00 -1.26 -2.85 121.76 124.19 2jya s ALA 12 Ca 0.48 1.40 -0.01 0.00 0.00 0.00 0.00 51.96 53.82 2jya s ALA 12 Cb -0.03 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.55 2jya s ALA 12 CO 0.31 -0.85 0.18 -1.33 0.00 0.00 0.00 175.76 174.07 2jya n MET 13 N 0.55 -2.02 -1.54 0.00 2.81 -1.26 -4.75 117.12 110.92 2jya n MET 13 Ca 0.01 0.61 -0.46 0.00 -1.81 0.00 0.00 57.70 56.05 2jya n MET 13 Cb 0.41 -4.82 -0.02 0.00 -0.71 0.00 0.00 33.22 28.08 2jya n MET 13 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 2jya n GLN 14 N -2.53 0.95 0.00 0.03 7.27 -1.13 -1.43 117.38 120.54 2jya n GLN 14 Ca -0.12 0.33 0.00 0.00 0.07 0.00 0.00 57.00 57.29 2jya n GLN 14 Cb 0.60 -1.62 0.00 0.00 2.41 0.00 0.00 30.24 31.63 2jya n GLN 14 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2jya n SER 15 N 1.53 0.00 -1.07 1.69 2.88 -1.26 -4.55 113.62 112.84 2jya n SER 15 Ca 0.13 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.75 2jya n SER 15 Cb 0.29 0.00 0.28 0.00 -0.75 0.00 0.00 64.21 64.02 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 0.00 3.57 2.23 0.46 0.00 -0.88 -4.78 105.19 105.79 2jya n GLY 16 Ca 0.00 -0.91 -0.24 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.03 3.15 -1.72 2.61 5.66 -0.51 -4.95 114.28 118.48 2jya n THR 17 Ca 0.21 -2.48 -0.39 0.00 -3.05 0.00 0.00 64.05 58.34 2jya n THR 17 Cb 0.87 -1.40 -0.03 0.00 -1.55 0.00 0.00 70.33 68.23 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 -2.22 2.13 0.00 1.79 0.00 -1.26 -1.25 121.76 120.95 2jya s ALA 18 Ca 0.47 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.51 2jya s ALA 18 Cb 0.34 -4.24 0.00 0.00 0.00 0.00 0.00 23.12 19.23 2jya s ALA 18 CO -0.11 -3.76 0.00 1.63 0.00 0.00 0.00 175.76 173.52 2jya n LYS 19 N 8.92 0.00 0.00 0.00 4.76 -1.26 -4.67 118.16 125.91 2jya n LYS 19 Ca 0.30 0.00 0.10 0.00 -2.87 0.00 0.00 58.31 55.84 2jya n LYS 19 Cb 0.51 -0.10 0.58 0.00 -1.84 0.00 0.00 35.03 34.18 2jya n LYS 19 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 2jya n THR 20 N 0.00 0.14 -1.69 -0.18 5.66 -1.17 -4.53 114.28 112.50 2jya n THR 20 Ca 0.00 0.03 -0.42 0.00 -3.05 0.00 0.00 64.05 60.62 2jya n THR 20 Cb 0.00 -0.71 -0.03 0.00 -1.55 0.00 0.00 70.33 68.05 2jya n THR 20 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 2jya s ASN 21 N -2.20 5.37 0.39 1.09 3.84 -0.38 -4.92 114.94 118.13 2jya s ASN 21 Ca 0.27 1.60 0.04 0.00 0.21 0.00 0.00 52.86 54.98 2jya s ASN 21 Cb 0.14 -2.51 -0.01 0.00 -0.55 0.00 0.00 41.25 38.31 2jya s ASN 21 CO 0.26 -2.07 0.14 1.33 -2.79 0.00 0.00 177.10 173.97 2jya n VAL 22 N 7.72 0.00 -3.19 -5.21 0.24 -1.26 -5.08 118.33 111.55 2jya n VAL 22 Ca 0.29 -2.27 -0.39 0.00 -2.04 0.00 0.00 64.34 59.93 2jya n VAL 22 Cb 0.47 0.81 -0.05 0.00 -1.47 0.00 0.00 33.84 33.59 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 -3.01 3.62 -0.12 6.34 0.52 -0.35 -4.42 118.94 121.52 2jya s TRP 23 Ca 0.19 1.15 -0.06 0.00 0.02 0.00 0.00 56.10 57.40 2jya s TRP 23 Cb 0.01 -2.65 -0.04 0.00 -1.15 0.00 0.00 33.47 29.64 2jya s TRP 23 CO 0.14 0.25 0.11 0.08 0.02 0.00 0.00 176.95 177.55 2jya s VAL 24 N 0.22 5.25 -0.33 4.03 1.01 0.50 -1.30 120.40 129.78 2jya s VAL 24 Ca 0.32 0.11 -0.02 0.00 0.00 0.00 0.00 61.98 62.39 2jya s VAL 24 Cb -0.17 -3.29 0.07 0.00 0.00 0.00 0.00 36.38 32.99 2jya s VAL 24 CO 0.16 0.60 0.06 -0.22 0.00 0.00 0.00 175.10 175.70 2jya s LEU 25 N -0.84 4.33 -0.10 3.92 2.96 0.01 -2.05 118.68 126.90 2jya s LEU 25 Ca 0.14 -1.52 0.02 0.00 -0.22 0.00 0.00 54.13 52.54 2jya s LEU 25 Cb -0.12 -1.74 -0.01 0.00 0.50 0.00 0.00 46.19 44.81 2jya s LEU 25 CO 0.03 -0.35 -0.16 -0.70 -1.32 0.00 0.00 176.35 173.86 2jya s GLU 26 N 1.21 3.10 0.06 1.98 -6.30 -0.83 -1.07 118.70 116.84 2jya s GLU 26 Ca -0.01 -0.73 -0.08 0.00 -2.50 0.00 0.00 54.97 51.65 2jya s GLU 26 Cb -0.20 -2.49 -0.00 0.00 0.00 0.00 0.00 34.13 31.43 2jya s GLU 26 CO -0.02 0.30 0.16 -0.59 0.02 0.00 0.00 175.26 175.13 2jya s PHE 27 N 0.10 0.15 -0.18 5.30 -0.71 -0.93 -0.85 117.98 120.85 2jya s PHE 27 Ca -0.07 -0.47 -0.29 0.00 -1.04 0.00 0.00 56.93 55.05 2jya s PHE 27 Cb -0.15 -0.09 -0.04 0.00 -1.21 0.00 0.00 43.02 41.54 2jya s PHE 27 CO 0.05 -0.45 1.70 -0.51 -1.34 0.00 0.00 175.22 174.67 2jya s ASP 28 N -2.40 6.34 0.11 1.98 1.11 -1.25 -2.88 116.67 119.68 2jya s ASP 28 Ca -0.01 1.79 -0.34 0.00 0.18 0.00 0.00 52.55 54.16 2jya s ASP 28 Cb 0.01 -2.53 -0.14 0.00 1.07 0.00 0.00 42.92 41.34 2jya s ASP 28 CO -0.07 -1.27 1.62 0.00 1.18 0.00 0.00 175.17 176.63 2jya n ALA 29 N 8.52 1.18 0.83 5.23 0.00 -1.19 -4.71 120.51 130.37 2jya n ALA 29 Ca 0.20 0.42 0.08 0.00 0.00 0.00 0.00 53.44 54.14 2jya n ALA 29 Cb 0.45 -2.36 0.43 0.00 0.00 0.00 0.00 19.45 17.96 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 3.93 0.29 -2.46 0.00 0.28 -1.26 -4.79 120.64 116.63 2jya n GLU 30 Ca 0.18 0.11 -0.41 0.00 -0.16 0.00 0.00 57.16 56.88 2jya n GLU 30 Cb 0.28 -1.50 -0.04 0.00 1.43 0.00 0.00 31.44 31.61 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 -2.46 3.57 0.57 3.84 0.11 -1.26 -5.08 120.40 119.69 2jya s VAL 31 Ca 0.17 1.48 -0.10 0.00 -2.93 0.00 0.00 61.98 60.61 2jya s VAL 31 Cb 0.11 -3.95 0.14 0.00 -1.53 0.00 0.00 36.38 31.16 2jya s VAL 31 CO 0.24 0.32 0.54 -0.81 -3.33 0.00 0.00 175.10 172.06 2jya n PRO 32 N 1.64 -1.84 -2.19 1.54 -0.04 -1.26 -4.59 135.00 128.25 2jya n PRO 32 Ca 0.01 -0.86 -0.32 0.00 -0.04 0.00 0.00 63.50 62.29 2jya n PRO 32 Cb 0.45 -0.77 -0.05 0.00 -0.04 0.00 0.00 33.50 33.09 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 -4.22 2.86 -0.02 0.54 1.04 -0.60 -4.39 118.95 114.16 2jya s ARG 33 Ca 0.34 -1.32 0.20 0.00 -1.04 0.00 0.00 55.73 53.92 2jya s ARG 33 Cb -0.03 -5.31 0.35 0.00 -2.04 0.00 0.00 34.95 27.92 2jya s ARG 33 CO 0.26 -3.53 1.14 1.17 -0.04 0.00 0.00 175.30 174.30 2jya n LYS 34 N 8.35 0.13 -1.43 3.89 3.00 -1.26 -5.10 118.16 125.73 2jya n LYS 34 Ca 0.45 -1.91 -0.30 0.00 -0.00 0.00 0.00 58.31 56.55 2jya n LYS 34 Cb 0.47 -0.23 0.09 0.00 0.00 0.00 0.00 35.03 35.36 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 -0.26 3.24 -0.03 3.15 -4.36 -1.26 -4.99 121.20 116.68 2jya s ILE 35 Ca 0.28 0.40 -0.30 0.00 -0.26 0.00 0.00 60.65 60.77 2jya s ILE 35 Cb 0.31 -3.04 -0.04 0.00 1.25 0.00 0.00 42.46 40.93 2jya s ILE 35 CO -0.13 -0.53 1.32 -1.81 0.24 0.00 0.00 174.94 174.03 2jya s ASP 36 N -3.69 6.93 0.04 4.36 1.01 -1.26 -4.91 116.67 119.16 2jya s ASP 36 Ca 0.61 1.98 0.18 0.00 0.71 0.00 0.00 52.55 56.03 2jya s ASP 36 Cb -0.16 -2.56 0.76 0.00 1.01 0.00 0.00 42.92 41.97 2jya s ASP 36 CO 0.55 -0.66 1.57 -0.81 0.21 0.00 0.00 175.17 176.03 2jya n PRO 37 N 5.32 0.03 0.23 8.23 -0.04 -1.26 -2.50 135.00 145.01 2jya n PRO 37 Ca 0.12 0.24 0.08 0.00 -0.04 0.00 0.00 63.50 63.90 2jya n PRO 37 Cb 0.45 -1.56 0.55 0.00 -0.04 0.00 0.00 33.50 32.90 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 0.92 0.56 0.52 1.08 -2.04 -3.21 117.51 115.34 2jya h ILE 38 Ca 0.00 -0.79 -0.03 0.00 -0.39 0.00 0.00 64.86 63.65 2jya h ILE 38 Cb 0.31 1.46 0.01 0.00 -3.07 0.00 0.00 36.82 35.53 2jya h ILE 38 CO 0.00 0.21 -0.27 0.24 -0.69 0.00 0.00 178.15 177.64 2jya h MET 39 N 0.00 -0.73 0.00 2.37 2.86 -1.90 -3.49 114.93 114.05 2jya h MET 39 Ca -0.00 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 2jya h MET 39 Cb 0.44 0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.27 2jya h MET 39 CO 0.03 -0.49 0.00 0.41 1.06 0.00 0.00 176.91 177.92 2jya n GLY 40 N -0.42 0.50 2.53 8.32 0.00 -1.21 -4.90 105.19 110.00 2jya n GLY 40 Ca -0.09 -0.88 -0.20 0.00 0.00 0.00 0.00 46.02 44.84 2jya n GLY 40 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jya n TYR 41 N -0.36 -0.11 -3.14 1.61 4.01 -1.26 -4.93 117.16 112.98 2jya n TYR 41 Ca 0.00 0.00 -0.45 0.00 -0.16 0.00 0.00 57.90 57.29 2jya n TYR 41 Cb 0.00 -3.41 -0.03 0.00 -0.31 0.00 0.00 39.34 35.58 2jya n TYR 41 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 2jya s THR 42 N -2.72 5.08 0.40 -0.72 -1.32 -1.26 -4.89 115.64 110.22 2jya s THR 42 Ca 0.00 -1.68 0.15 0.00 -1.21 0.00 0.00 61.69 58.95 2jya s THR 42 Cb 0.00 -4.56 0.15 0.00 -1.51 0.00 0.00 72.50 66.58 2jya s THR 42 CO 0.00 -1.19 1.92 0.77 -2.21 0.00 0.00 174.62 173.90 2jya h SER 43 N 8.60 0.00 -3.94 8.08 4.64 -2.05 -3.43 113.55 125.45 2jya h SER 43 Ca -0.03 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.83 2jya h SER 43 Cb 1.05 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.13 2jya h SER 43 CO 0.98 0.27 0.35 -0.94 -0.87 0.00 0.00 176.83 176.62 2jya s SER 44 N -6.87 7.16 -1.22 4.97 1.04 -1.26 -4.98 113.70 112.54 2jya s SER 44 Ca -0.03 1.82 -0.20 0.00 0.48 0.00 0.00 55.95 58.02 2jya s SER 44 Cb 0.15 -2.57 -0.02 0.00 0.10 0.00 0.00 66.02 63.67 2jya s SER 44 CO 0.70 -0.20 1.87 -1.20 0.98 0.00 0.00 173.24 175.39 2jya n SER 45 N 0.17 3.83 -4.64 7.02 7.64 -1.26 -4.95 113.62 121.43 2jya n SER 45 Ca 0.04 -2.79 -0.43 0.00 1.01 0.00 0.00 58.87 56.70 2jya n SER 45 Cb 0.51 -1.71 -0.02 0.00 -1.01 0.00 0.00 64.21 61.98 2jya n SER 45 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2jya s ASP 46 N 5.37 6.61 -0.15 6.43 -1.08 -1.26 -4.86 116.67 127.73 2jya s ASP 46 Ca 0.61 1.51 0.17 0.00 -0.52 0.00 0.00 52.55 54.32 2jya s ASP 46 Cb 0.03 -2.54 -0.25 0.00 -1.46 0.00 0.00 42.92 38.70 2jya s ASP 46 CO 0.10 -1.08 0.25 0.80 0.52 0.00 0.00 175.17 175.76 2jya n MET 47 N 7.31 0.67 -3.51 4.34 0.00 -1.26 -4.86 117.12 119.82 2jya n MET 47 Ca 0.16 0.06 -0.14 0.00 -0.00 0.00 0.00 57.70 57.78 2jya n MET 47 Cb 0.46 -1.59 -0.05 0.00 0.00 0.00 0.00 33.22 32.04 2jya n MET 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 2jya s LYS 48 N -2.58 0.99 0.74 2.12 0.00 -1.26 -1.56 119.74 118.20 2jya s LYS 48 Ca -0.08 0.03 -0.12 0.00 0.00 0.00 0.00 55.97 55.80 2jya s LYS 48 Cb 0.07 0.46 0.04 0.00 0.00 0.00 0.00 37.83 38.40 2jya s LYS 48 CO 0.83 -0.35 1.12 1.14 0.00 0.00 0.00 175.35 178.09 2jya s GLN 49 N -1.90 2.53 0.42 1.78 -2.07 -1.26 -4.93 119.66 114.22 2jya s GLN 49 Ca -0.05 0.36 -0.21 0.00 -1.82 0.00 0.00 55.36 53.64 2jya s GLN 49 Cb -0.00 -1.99 -0.11 0.00 -1.09 0.00 0.00 33.01 29.81 2jya s GLN 49 CO 0.02 -1.25 0.94 1.14 -1.32 0.00 0.00 175.29 174.82 2jya s GLN 50 N -5.42 4.24 0.01 9.60 1.03 -1.26 -3.19 119.66 124.67 2jya s GLN 50 Ca 0.60 1.11 0.01 0.00 0.04 0.00 0.00 55.36 57.12 2jya s GLN 50 Cb -0.11 -2.22 -0.01 0.00 0.03 0.00 0.00 33.01 30.69 2jya s GLN 50 CO 0.51 -0.00 -0.04 0.54 -2.54 0.00 0.00 175.29 173.76 2jya s VAL 51 N -2.14 0.24 -0.00 3.63 0.11 -1.14 -4.93 120.40 116.17 2jya s VAL 51 Ca 0.61 -0.57 0.00 0.00 -2.93 0.00 0.00 61.98 59.10 2jya s VAL 51 Cb -0.10 -0.29 0.00 0.00 -1.53 0.00 0.00 36.38 34.47 2jya s VAL 51 CO 0.14 -0.22 -0.01 -1.59 -3.33 0.00 0.00 175.10 170.09 2jya s LYS 52 N -0.83 0.13 0.15 1.54 -2.85 -1.26 -2.18 119.74 114.44 2jya s LYS 52 Ca -0.07 -0.03 0.11 0.00 -1.00 0.00 0.00 55.97 54.98 2jya s LYS 52 Cb -0.06 -0.16 -0.04 0.00 -2.06 0.00 0.00 37.83 35.51 2jya s LYS 52 CO -0.00 0.01 -0.24 -0.51 0.10 0.00 0.00 175.35 174.71 2jya s LEU 53 N 0.10 2.45 -0.10 2.77 1.02 -0.23 -4.98 118.68 119.72 2jya s LEU 53 Ca -0.01 -0.76 0.03 0.00 0.02 0.00 0.00 54.13 53.42 2jya s LEU 53 Cb -0.02 -1.27 0.01 0.00 0.02 0.00 0.00 46.19 44.92 2jya s LEU 53 CO -0.00 0.15 -0.20 -0.89 0.02 0.00 0.00 176.35 175.44 2jya s THR 54 N -1.32 1.75 0.13 5.49 2.01 -1.26 -0.81 115.64 121.63 2jya s THR 54 Ca 0.17 -0.83 0.06 0.00 0.31 0.00 0.00 61.69 61.41 2jya s THR 54 Cb -0.09 -1.55 -0.04 0.00 0.01 0.00 0.00 72.50 70.83 2jya s THR 54 CO 0.08 0.49 -0.14 -0.36 -0.69 0.00 0.00 174.62 174.00 2jya s PHE 55 N 0.60 1.43 0.36 4.92 0.08 -0.42 -5.01 117.98 119.94 2jya s PHE 55 Ca -0.14 -0.55 0.13 0.00 0.12 0.00 0.00 56.93 56.49 2jya s PHE 55 Cb -0.17 -0.74 0.73 0.00 -0.57 0.00 0.00 43.02 42.27 2jya s PHE 55 CO 0.04 0.16 1.82 0.93 -0.10 0.00 0.00 175.22 178.07 2jya h GLU 56 N 3.47 0.00 -4.93 0.44 4.39 -1.97 -0.93 114.58 115.06 2jya h GLU 56 Ca -0.40 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.00 2jya h GLU 56 Cb 1.20 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 29.70 2jya h GLU 56 CO 0.51 0.37 -0.70 0.95 -1.16 0.00 0.00 179.01 178.99 2jya s THR 57 N -4.13 0.97 0.16 1.13 -4.23 -1.26 -4.44 115.64 103.83 2jya s THR 57 Ca -0.03 -2.02 -0.17 0.00 -1.18 0.00 0.00 61.69 58.30 2jya s THR 57 Cb 0.14 -1.89 0.04 0.00 1.34 0.00 0.00 72.50 72.13 2jya s THR 57 CO 0.72 -0.70 1.71 -0.61 -0.54 0.00 0.00 174.62 175.20 2jya h GLN 58 N 2.78 0.10 -0.84 3.99 4.15 -1.95 -3.19 115.11 120.16 2jya h GLN 58 Ca -0.36 -0.01 0.21 0.00 0.77 0.00 0.00 58.65 59.26 2jya h GLN 58 Cb 1.19 -0.02 -0.14 0.00 0.21 0.00 0.00 27.48 28.72 2jya h GLN 58 CO 0.64 0.06 0.11 0.93 -1.93 0.00 0.00 178.83 178.64 2jya h GLU 59 N 0.10 0.14 -0.14 1.69 5.08 -1.99 -0.61 114.58 118.85 2jya h GLU 59 Ca 0.17 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.39 2jya h GLU 59 Cb 0.23 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2jya h GLU 59 CO -0.28 0.09 -0.49 1.96 -1.00 0.00 0.00 179.01 179.30 2jya h GLN 60 N 0.14 0.35 0.21 2.33 4.20 -1.97 -1.48 115.11 118.89 2jya h GLN 60 Ca 0.49 -0.20 -0.32 0.00 0.06 0.00 0.00 58.65 58.69 2jya h GLN 60 Cb 0.94 0.01 0.02 0.00 0.30 0.00 0.00 27.48 28.76 2jya h GLN 60 CO -0.69 0.77 -1.42 0.00 -0.67 0.00 0.00 178.83 176.82 2jya h ALA 61 N 1.20 -0.05 -0.24 3.87 0.00 -1.23 -2.45 119.26 120.36 2jya h ALA 61 Ca 0.01 -0.89 -0.20 0.00 0.00 0.00 0.00 54.91 53.84 2jya h ALA 61 Cb 0.96 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2jya h ALA 61 CO 0.08 0.82 -0.62 1.05 0.00 0.00 0.00 179.25 180.58 2jya h GLU 62 N 0.12 0.84 -0.41 0.00 4.11 -1.25 -2.90 114.58 115.08 2jya h GLU 62 Ca -0.22 -0.59 0.03 0.00 0.07 0.00 0.00 59.36 58.65 2jya h GLU 62 Cb 2.10 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 31.42 2jya h GLU 62 CO 0.24 1.21 0.28 0.00 0.07 0.00 0.00 179.01 180.81 2jya h ALA 63 N 0.63 1.82 0.59 1.06 0.00 -1.30 -0.34 119.26 121.71 2jya h ALA 63 Ca -0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2jya h ALA 63 Cb 1.24 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.91 2jya h ALA 63 CO 0.13 0.14 -0.28 -0.92 0.00 0.00 0.00 179.25 178.32 2jya h TYR 64 N 0.46 -0.73 -0.59 0.00 3.20 -1.37 -1.71 116.97 116.23 2jya h TYR 64 Ca 0.17 -0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.12 2jya h TYR 64 Cb 0.09 0.24 -0.08 0.00 1.54 0.00 0.00 36.73 38.53 2jya h TYR 64 CO -0.00 -0.40 0.16 0.00 -1.64 0.00 0.00 178.16 176.28 2jya h ALA 65 N -0.69 0.72 -0.23 1.82 0.00 -1.29 -1.80 119.26 117.79 2jya h ALA 65 Ca -0.08 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2jya h ALA 65 Cb 0.66 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2jya h ALA 65 CO 0.13 -0.26 0.15 1.96 0.00 0.00 0.00 179.25 181.23 2jya h GLN 66 N 0.31 0.31 -0.71 0.00 4.20 -1.09 0.46 115.11 118.58 2jya h GLN 66 Ca 0.30 -0.02 0.06 0.00 0.06 0.00 0.00 58.65 59.05 2jya h GLN 66 Cb 0.41 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.08 2jya h GLN 66 CO -0.35 0.21 0.47 -0.09 -0.67 0.00 0.00 178.83 178.40 2jya h ARG 67 N 0.31 0.75 0.00 1.46 2.43 -0.96 -1.84 114.38 116.52 2jya h ARG 67 Ca 0.08 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.09 2jya h ARG 67 Cb -0.03 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.34 2jya h ARG 67 CO -0.02 0.49 -0.62 0.87 -1.51 0.00 0.00 179.97 179.19 2jya h LYS 68 N 0.77 0.00 0.00 0.20 1.79 -0.89 -3.48 116.57 114.96 2jya h LYS 68 Ca 0.30 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.77 2jya h LYS 68 Cb 0.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.87 2jya h LYS 68 CO -0.10 0.51 0.00 0.41 -1.08 0.00 0.00 179.45 179.20 2jya n GLY 69 N 1.25 0.48 3.60 3.86 0.00 0.21 -5.05 105.19 109.54 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 -2.20 3.17 0.31 -0.61 1.01 0.14 -4.91 121.20 118.10 2jya s ILE 70 Ca 0.00 0.17 -0.29 0.00 0.00 0.00 0.00 60.65 60.54 2jya s ILE 70 Cb 0.00 -3.22 -0.13 0.00 0.01 0.00 0.00 42.46 39.12 2jya s ILE 70 CO 0.00 -0.13 1.25 -1.84 0.00 0.00 0.00 174.94 174.22 2jya n GLU 71 N 8.58 1.93 -3.79 2.79 0.00 -1.22 -4.16 120.64 124.76 2jya n GLU 71 Ca 0.27 0.68 -0.12 0.00 0.00 0.00 0.00 57.16 57.99 2jya n GLU 71 Cb 0.45 -2.23 -0.09 0.00 0.00 0.00 0.00 31.44 29.58 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 -0.88 -0.09 -0.13 -1.84 1.13 -1.26 -1.20 117.35 113.08 2jya s TYR 72 Ca 0.59 0.07 0.02 0.00 -1.41 0.00 0.00 57.07 56.35 2jya s TYR 72 Cb -0.62 0.05 0.01 0.00 -1.10 0.00 0.00 41.96 40.30 2jya s TYR 72 CO 0.59 -0.39 -0.20 0.50 -2.51 0.00 0.00 175.55 173.54 2jya s ARG 73 N -1.65 2.78 -0.03 -3.49 3.00 -0.68 -4.96 118.95 113.93 2jya s ARG 73 Ca -0.12 -0.77 -0.15 0.00 -1.00 0.00 0.00 55.73 53.69 2jya s ARG 73 Cb -0.05 -2.26 -0.05 0.00 0.00 0.00 0.00 34.95 32.59 2jya s ARG 73 CO 0.02 -0.01 0.40 0.14 0.00 0.00 0.00 175.30 175.85 2jya s VAL 74 N 0.81 5.08 -0.04 7.11 -7.23 -1.26 -1.89 120.40 122.98 2jya s VAL 74 Ca -0.08 0.82 0.07 0.00 -1.81 0.00 0.00 61.98 60.97 2jya s VAL 74 Cb -0.16 -3.71 -0.01 0.00 0.56 0.00 0.00 36.38 33.06 2jya s VAL 74 CO -0.01 0.53 -0.24 -0.63 -0.31 0.00 0.00 175.10 174.45 2jya s ILE 75 N -0.73 1.94 0.33 -0.62 1.09 0.48 -4.96 121.20 118.72 2jya s ILE 75 Ca 0.23 -1.02 -0.27 0.00 -1.10 0.00 0.00 60.65 58.49 2jya s ILE 75 Cb -0.16 -1.63 -0.09 0.00 -1.06 0.00 0.00 42.46 39.52 2jya s ILE 75 CO 0.12 0.54 1.07 -0.76 -0.10 0.00 0.00 174.94 175.82 2jya s LEU 76 N -0.32 4.38 0.00 2.97 1.43 -1.26 -4.33 118.68 121.56 2jya s LEU 76 Ca 0.02 2.17 0.00 0.00 -1.03 0.00 0.00 54.13 55.29 2jya s LEU 76 Cb -0.12 -3.86 0.00 0.00 0.03 0.00 0.00 46.19 42.25 2jya s LEU 76 CO 0.02 -0.28 0.00 -0.81 0.23 0.00 0.00 176.35 175.50 2jya n PRO 77 N 0.67 0.40 0.00 1.29 -0.04 -1.26 -4.82 135.00 131.24 2jya n PRO 77 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 2jya n PRO 77 Cb 0.47 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.93 2jya n PRO 77 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2jya n LYS 78 N -0.59 0.81 0.12 0.54 -0.00 -1.26 -4.16 118.16 113.62 2jya n LYS 78 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2jya n LYS 78 Cb 0.00 -1.27 0.00 0.00 -0.00 0.00 0.00 35.03 33.76 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 -0.10 0.00 -0.40 -1.58 0.28 -1.26 -5.16 120.64 112.42 2jya n GLU 79 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2jya n GLU 79 Cb 0.13 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.00 2jya n GLU 79 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97