#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 2.84 -0.14 6.12 0.01 -1.26 -3.75 113.70 117.52 2jya s SER 2 Ca 0.00 -0.53 -0.07 0.00 1.31 0.00 0.00 55.95 56.66 2jya s SER 2 Cb 0.00 -1.30 -0.04 0.00 0.21 0.00 0.00 66.02 64.89 2jya s SER 2 CO 0.00 0.08 0.12 0.00 0.41 0.00 0.00 173.24 173.85 2jya s ALA 3 N 0.71 3.75 -0.16 1.44 0.00 -0.11 -3.50 121.76 123.88 2jya s ALA 3 Ca -0.11 -0.67 -0.00 0.00 0.00 0.00 0.00 51.96 51.17 2jya s ALA 3 Cb -0.16 -1.97 -0.00 0.00 0.00 0.00 0.00 23.12 20.99 2jya s ALA 3 CO 0.02 0.48 -0.13 -1.59 0.00 0.00 0.00 175.76 174.53 2jya s LYS 4 N -0.59 3.27 -0.24 0.00 -2.85 -0.03 -1.24 119.74 118.06 2jya s LYS 4 Ca 0.12 -0.72 -0.07 0.00 -1.00 0.00 0.00 55.97 54.30 2jya s LYS 4 Cb -0.12 -2.69 -0.03 0.00 -2.06 0.00 0.00 37.83 32.93 2jya s LYS 4 CO 0.02 0.01 0.08 0.42 0.10 0.00 0.00 175.35 175.98 2jya s ILE 5 N 0.84 4.45 0.26 3.79 1.09 -0.66 -2.08 121.20 128.90 2jya s ILE 5 Ca -0.04 -0.13 -0.07 0.00 -1.10 0.00 0.00 60.65 59.31 2jya s ILE 5 Cb -0.15 -3.07 -0.01 0.00 -1.06 0.00 0.00 42.46 38.17 2jya s ILE 5 CO -0.00 0.35 0.38 -0.72 -0.10 0.00 0.00 174.94 174.86 2jya s TYR 6 N 1.40 0.77 -0.33 3.97 1.13 -0.78 -0.48 117.35 123.03 2jya s TYR 6 Ca 0.05 -1.05 -0.02 0.00 -1.41 0.00 0.00 57.07 54.64 2jya s TYR 6 Cb -0.15 -0.09 0.12 0.00 -1.10 0.00 0.00 41.96 40.75 2jya s TYR 6 CO 0.04 -0.94 0.18 0.50 -2.51 0.00 0.00 175.55 172.82 2jya s ARG 7 N -3.80 0.43 0.39 -3.49 3.52 -1.26 0.01 118.95 114.75 2jya s ARG 7 Ca 0.29 -1.02 -0.10 0.00 -0.13 0.00 0.00 55.73 54.76 2jya s ARG 7 Cb 0.01 -1.30 -0.07 0.00 -1.56 0.00 0.00 34.95 32.04 2jya s ARG 7 CO 0.13 -1.13 0.75 -1.25 -0.81 0.00 0.00 175.30 172.99 2jya s PRO 8 N 1.48 3.79 0.11 5.12 0.04 -1.26 -3.92 135.00 140.35 2jya s PRO 8 Ca 0.14 0.45 0.25 0.00 0.04 0.00 0.00 61.00 61.88 2jya s PRO 8 Cb -0.20 -2.42 0.55 0.00 0.04 0.00 0.00 34.50 32.47 2jya s PRO 8 CO -0.15 0.01 1.49 0.00 0.04 0.00 0.00 177.00 178.38 2jya n ALA 9 N -1.16 2.84 1.72 8.56 0.00 -1.26 -3.92 120.51 127.29 2jya n ALA 9 Ca 0.02 -0.21 0.14 0.00 0.00 0.00 0.00 53.44 53.40 2jya n ALA 9 Cb 0.54 -1.25 0.83 0.00 0.00 0.00 0.00 19.45 19.56 2jya n ALA 9 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2jya n LYS 10 N -1.98 0.83 -1.65 0.00 2.85 -1.26 -4.89 118.16 112.06 2jya n LYS 10 Ca 0.04 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.90 2jya n LYS 10 Cb 0.41 -1.50 0.01 0.00 -0.65 0.00 0.00 35.03 33.31 2jya n LYS 10 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2jya n THR 11 N -1.04 2.61 -1.93 0.58 -2.24 -1.25 -5.04 114.28 105.96 2jya n THR 11 Ca 0.20 -0.50 -0.07 0.00 -2.27 0.00 0.00 64.05 61.42 2jya n THR 11 Cb 0.11 -1.33 0.04 0.00 -2.10 0.00 0.00 70.33 67.06 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 -0.46 -0.12 -2.05 6.98 0.00 -1.26 -4.62 120.51 118.98 2jya n ALA 12 Ca 0.09 -0.50 -0.21 0.00 0.00 0.00 0.00 53.44 52.82 2jya n ALA 12 Cb 0.40 0.05 -0.04 0.00 0.00 0.00 0.00 19.45 19.85 2jya n ALA 12 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2jya n MET 13 N -1.59 -1.60 -2.31 0.00 2.81 -1.26 -4.88 117.12 108.29 2jya n MET 13 Ca 0.04 1.09 -0.40 0.00 -1.81 0.00 0.00 57.70 56.63 2jya n MET 13 Cb 0.16 -5.63 -0.03 0.00 -0.71 0.00 0.00 33.22 27.00 2jya n MET 13 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 2jya s GLN 14 N -4.48 2.93 0.06 0.03 -0.21 -1.26 -4.95 119.66 111.78 2jya s GLN 14 Ca 0.00 0.13 0.01 0.00 0.02 0.00 0.00 55.36 55.51 2jya s GLN 14 Cb 0.00 -4.31 0.01 0.00 1.00 0.00 0.00 33.01 29.70 2jya s GLN 14 CO 0.00 -2.44 0.06 0.45 -2.12 0.00 0.00 175.29 171.24 2jya n SER 15 N 10.99 0.78 -4.08 5.90 2.88 -1.26 -5.02 113.62 123.81 2jya n SER 15 Ca 0.12 -1.18 -0.40 0.00 -1.33 0.00 0.00 58.87 56.08 2jya n SER 15 Cb 0.50 -0.02 -0.03 0.00 -0.75 0.00 0.00 64.21 63.92 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 4.29 2.83 3.51 0.46 0.00 -1.26 -4.82 105.19 110.19 2jya n GLY 16 Ca 0.01 -1.30 -0.15 0.00 0.00 0.00 0.00 46.02 44.57 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 5.43 0.00 -0.59 2.61 -1.32 -1.26 -5.05 115.64 115.46 2jya s THR 17 Ca 0.56 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 61.28 2jya s THR 17 Cb 0.09 -1.00 0.31 0.00 -1.51 0.00 0.00 72.50 70.39 2jya s THR 17 CO 0.05 0.00 1.69 0.00 -2.21 0.00 0.00 174.62 174.15 2jya h ALA 18 N 2.65 0.99 0.00 11.08 0.00 -1.99 -3.28 119.26 128.71 2jya h ALA 18 Ca -0.26 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 2jya h ALA 18 Cb 1.19 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2jya h ALA 18 CO 0.37 0.00 -0.04 -0.22 0.00 0.00 0.00 179.25 179.36 2jya h LYS 19 N 0.00 0.00 -0.97 0.00 1.63 -1.96 -3.22 116.57 112.05 2jya h LYS 19 Ca 0.00 0.00 0.24 0.00 -0.85 0.00 0.00 60.65 60.04 2jya h LYS 19 Cb 0.87 0.00 -0.13 0.00 -0.60 0.00 0.00 32.23 32.37 2jya h LYS 19 CO 0.00 0.04 0.53 1.79 -3.45 0.00 0.00 179.45 178.35 2jya h THR 20 N 0.00 0.50 -2.04 1.00 1.35 -1.90 -3.14 112.91 108.68 2jya h THR 20 Ca -0.00 -0.17 -0.64 0.00 -0.55 0.00 0.00 66.41 65.05 2jya h THR 20 Cb 0.14 -0.05 -0.14 0.00 -1.73 0.00 0.00 68.15 66.37 2jya h THR 20 CO 0.00 0.09 1.01 0.20 -0.25 0.00 0.00 175.52 176.58 2jya s ASN 21 N -5.17 6.47 0.29 5.36 -0.87 -1.22 -4.80 114.94 115.00 2jya s ASN 21 Ca -0.11 -1.56 -0.11 0.00 -1.57 0.00 0.00 52.86 49.52 2jya s ASN 21 Cb 0.27 -2.47 -0.07 0.00 -0.02 0.00 0.00 41.25 38.96 2jya s ASN 21 CO 0.79 -1.33 0.64 0.54 -2.57 0.00 0.00 177.10 175.17 2jya s VAL 22 N 3.88 4.85 -0.30 1.60 0.11 -1.19 -4.93 120.40 124.42 2jya s VAL 22 Ca 0.35 0.57 -0.29 0.00 -2.93 0.00 0.00 61.98 59.68 2jya s VAL 22 Cb -0.06 -3.65 0.01 0.00 -1.53 0.00 0.00 36.38 31.15 2jya s VAL 22 CO -0.04 -0.22 1.20 0.26 -3.33 0.00 0.00 175.10 172.97 2jya s TRP 23 N -2.00 2.89 -0.12 1.54 0.52 -0.83 -4.10 118.94 116.84 2jya s TRP 23 Ca 0.49 1.01 -0.07 0.00 0.02 0.00 0.00 56.10 57.56 2jya s TRP 23 Cb -0.11 -3.78 -0.04 0.00 -1.15 0.00 0.00 33.47 28.39 2jya s TRP 23 CO 0.23 -1.32 0.13 0.08 0.02 0.00 0.00 176.95 176.09 2jya s VAL 24 N 3.99 5.42 -0.32 4.03 1.01 0.10 -1.03 120.40 133.60 2jya s VAL 24 Ca 0.52 0.18 -0.00 0.00 0.00 0.00 0.00 61.98 62.67 2jya s VAL 24 Cb -0.15 -3.36 0.07 0.00 0.00 0.00 0.00 36.38 32.94 2jya s VAL 24 CO 0.19 0.61 0.03 -0.22 0.00 0.00 0.00 175.10 175.72 2jya s LEU 25 N -0.96 4.26 -0.10 3.92 2.96 0.00 -1.86 118.68 126.91 2jya s LEU 25 Ca 0.15 -1.61 0.02 0.00 -0.22 0.00 0.00 54.13 52.46 2jya s LEU 25 Cb -0.12 -1.69 -0.02 0.00 0.50 0.00 0.00 46.19 44.86 2jya s LEU 25 CO 0.04 -0.33 -0.15 -0.70 -1.32 0.00 0.00 176.35 173.89 2jya s GLU 26 N 1.14 3.06 0.04 1.98 2.12 -0.88 -0.99 118.70 125.17 2jya s GLU 26 Ca -0.00 -0.72 -0.07 0.00 0.36 0.00 0.00 54.97 54.54 2jya s GLU 26 Cb -0.20 -2.50 -0.01 0.00 0.26 0.00 0.00 34.13 31.68 2jya s GLU 26 CO -0.04 0.34 0.12 -0.59 -0.54 0.00 0.00 175.26 174.56 2jya s PHE 27 N 0.01 0.15 -0.17 5.30 -0.71 -0.84 -0.85 117.98 120.88 2jya s PHE 27 Ca -0.05 -0.41 -0.25 0.00 -1.04 0.00 0.00 56.93 55.18 2jya s PHE 27 Cb -0.14 -0.10 -0.01 0.00 -1.21 0.00 0.00 43.02 41.55 2jya s PHE 27 CO 0.04 -0.37 0.84 0.16 -1.34 0.00 0.00 175.22 174.55 2jya s ASP 28 N -2.05 6.96 -0.36 1.98 -4.77 -1.23 -1.82 116.67 115.38 2jya s ASP 28 Ca -0.06 1.18 -0.18 0.00 -3.30 0.00 0.00 52.55 50.19 2jya s ASP 28 Cb -0.02 -2.46 -0.00 0.00 -1.09 0.00 0.00 42.92 39.36 2jya s ASP 28 CO -0.04 -0.41 0.52 0.00 0.70 0.00 0.00 175.17 175.95 2jya s ALA 29 N 2.19 3.46 -1.18 2.11 0.00 0.01 -4.21 121.76 124.15 2jya s ALA 29 Ca 0.38 -1.04 -0.12 0.00 0.00 0.00 0.00 51.96 51.18 2jya s ALA 29 Cb -0.16 -3.04 -0.07 0.00 0.00 0.00 0.00 23.12 19.85 2jya s ALA 29 CO 0.12 -1.28 2.31 -0.85 0.00 0.00 0.00 175.76 176.07 2jya n GLU 30 N 5.78 2.53 -4.61 0.00 0.28 -1.26 -3.19 120.64 120.17 2jya n GLU 30 Ca -0.04 -1.97 -0.33 0.00 -0.16 0.00 0.00 57.16 54.65 2jya n GLU 30 Cb 0.49 -2.82 -0.15 0.00 1.43 0.00 0.00 31.44 30.39 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 3.40 2.82 1.08 3.84 0.11 -1.26 -5.11 120.40 125.27 2jya s VAL 31 Ca 0.53 -0.72 -0.16 0.00 -2.93 0.00 0.00 61.98 58.69 2jya s VAL 31 Cb 0.14 -2.19 0.23 0.00 -1.53 0.00 0.00 36.38 33.03 2jya s VAL 31 CO -0.02 0.51 1.15 -2.16 -3.33 0.00 0.00 175.10 171.26 2jya s PRO 32 N 0.66 -0.22 0.00 1.54 0.04 -1.26 -4.74 135.00 131.02 2jya s PRO 32 Ca -0.07 0.02 0.16 0.00 0.04 0.00 0.00 61.00 61.15 2jya s PRO 32 Cb -0.16 -1.71 0.90 0.00 0.04 0.00 0.00 34.50 33.58 2jya s PRO 32 CO 0.02 -3.06 1.37 2.89 0.04 0.00 0.00 177.00 178.26 2jya n ARG 33 N -4.32 0.43 -1.58 4.56 1.85 -1.26 -4.65 116.66 111.69 2jya n ARG 33 Ca 0.11 0.03 -0.16 0.00 -1.00 0.00 0.00 57.85 56.84 2jya n ARG 33 Cb 0.59 -1.50 -0.07 0.00 -1.05 0.00 0.00 32.46 30.44 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 -2.13 1.66 0.37 2.89 -0.14 -1.26 -4.96 119.74 116.16 2jya s LYS 34 Ca 0.22 0.55 -0.25 0.00 -1.36 0.00 0.00 55.97 55.13 2jya s LYS 34 Cb 0.11 -4.77 -0.10 0.00 -1.68 0.00 0.00 37.83 31.39 2jya s LYS 34 CO 0.19 -4.34 0.99 0.42 -0.76 0.00 0.00 175.35 171.85 2jya s ILE 35 N 14.51 4.05 0.02 2.17 1.01 -1.26 -5.09 121.20 136.60 2jya s ILE 35 Ca 0.92 1.58 0.07 0.00 0.00 0.00 0.00 60.65 63.23 2jya s ILE 35 Cb -0.13 -3.82 -0.03 0.00 0.01 0.00 0.00 42.46 38.49 2jya s ILE 35 CO 0.09 0.02 -0.21 -0.62 0.00 0.00 0.00 174.94 174.23 2jya s ASP 36 N -1.67 3.58 0.62 3.58 2.15 -1.20 -5.03 116.67 118.70 2jya s ASP 36 Ca 0.55 -0.43 0.26 0.00 0.43 0.00 0.00 52.55 53.36 2jya s ASP 36 Cb -0.19 -0.53 1.31 0.00 -0.30 0.00 0.00 42.92 43.21 2jya s ASP 36 CO 0.24 0.28 1.74 1.55 -0.17 0.00 0.00 175.17 178.81 2jya h PRO 37 N 4.87 0.00 0.18 4.34 0.13 -2.01 -1.96 132.00 137.55 2jya h PRO 37 Ca -0.46 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 2jya h PRO 37 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2jya h PRO 37 CO 0.47 0.00 -0.09 0.82 -0.23 0.00 0.00 178.00 178.97 2jya h ILE 38 N 0.00 0.31 -3.71 -3.56 2.04 -2.04 -3.42 117.51 107.12 2jya h ILE 38 Ca 0.18 -0.98 -0.77 0.00 1.00 0.00 0.00 64.86 64.29 2jya h ILE 38 Cb 1.36 0.54 -0.28 0.00 -0.74 0.00 0.00 36.82 37.71 2jya h ILE 38 CO -0.00 0.09 -0.03 0.00 0.00 0.00 0.00 178.15 178.21 2jya s MET 39 N -2.61 3.33 -0.24 2.37 0.23 -0.74 -4.96 119.30 116.68 2jya s MET 39 Ca -0.07 -2.42 -0.01 0.00 -1.03 0.00 0.00 55.69 52.16 2jya s MET 39 Cb 0.00 -4.26 0.15 0.00 -1.53 0.00 0.00 34.83 29.19 2jya s MET 39 CO 0.23 -1.27 2.07 0.41 -2.03 0.00 0.00 175.02 174.43 2jya n GLY 40 N 3.96 3.72 3.55 3.16 0.00 -1.22 -3.22 105.19 115.14 2jya n GLY 40 Ca 0.10 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.35 2.21 -0.87 1.61 1.51 -1.26 -4.80 117.35 114.40 2jya s TYR 41 Ca 0.25 0.02 0.27 0.00 -1.01 0.00 0.00 57.07 56.60 2jya s TYR 41 Cb 0.19 -4.56 0.93 0.00 -0.11 0.00 0.00 41.96 38.40 2jya s TYR 41 CO -0.01 -2.10 1.76 0.25 -1.11 0.00 0.00 175.55 174.34 2jya n THR 42 N 6.51 0.24 0.75 -0.71 -2.24 -1.26 -3.35 114.28 114.22 2jya n THR 42 Ca 0.07 -0.13 0.09 0.00 -2.27 0.00 0.00 64.05 61.81 2jya n THR 42 Cb 0.49 -0.41 0.43 0.00 -2.10 0.00 0.00 70.33 68.74 2jya n THR 42 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2jya n SER 43 N -1.83 0.00 -4.68 3.42 3.41 -1.26 -4.82 113.62 107.86 2jya n SER 43 Ca 0.06 0.32 -0.50 0.00 -0.26 0.00 0.00 58.87 58.48 2jya n SER 43 Cb 0.38 -0.42 -0.05 0.00 -0.26 0.00 0.00 64.21 63.86 2jya n SER 43 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2jya n SER 44 N -1.42 3.02 -4.75 4.04 7.64 -1.21 -4.94 113.62 116.00 2jya n SER 44 Ca 0.06 1.02 -0.34 0.00 1.01 0.00 0.00 58.87 60.63 2jya n SER 44 Cb 0.20 -1.31 0.07 0.00 -1.01 0.00 0.00 64.21 62.15 2jya n SER 44 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2jya s SER 45 N 3.25 4.74 0.20 6.43 0.01 -1.26 -4.96 113.70 122.10 2jya s SER 45 Ca 0.92 2.14 -0.08 0.00 1.31 0.00 0.00 55.95 60.24 2jya s SER 45 Cb -0.80 -2.57 0.12 0.00 0.21 0.00 0.00 66.02 62.98 2jya s SER 45 CO 0.53 -1.88 1.67 0.44 0.41 0.00 0.00 173.24 174.40 2jya h ASP 46 N -0.09 1.01 -4.06 2.44 3.32 -1.98 -3.43 116.42 113.64 2jya h ASP 46 Ca -0.47 -0.28 -0.47 0.00 0.02 0.00 0.00 57.03 55.83 2jya h ASP 46 Cb 1.27 -0.27 0.08 0.00 0.22 0.00 0.00 39.33 40.62 2jya h ASP 46 CO 0.52 1.06 0.29 0.00 -1.72 0.00 0.00 179.24 179.39 2jya s MET 47 N -5.04 2.48 -0.56 3.56 0.23 -1.26 -4.96 119.30 113.76 2jya s MET 47 Ca -0.11 0.04 -0.26 0.00 -1.03 0.00 0.00 55.69 54.32 2jya s MET 47 Cb 0.14 -2.12 -0.06 0.00 -1.53 0.00 0.00 34.83 31.26 2jya s MET 47 CO 0.85 -1.12 2.23 -1.59 -2.03 0.00 0.00 175.02 173.36 2jya s LYS 48 N -5.27 2.24 0.15 3.16 0.00 -1.26 -4.88 119.74 113.88 2jya s LYS 48 Ca 0.58 1.06 -0.32 0.00 0.00 0.00 0.00 55.97 57.30 2jya s LYS 48 Cb -0.11 -4.55 -0.12 0.00 0.00 0.00 0.00 37.83 33.06 2jya s LYS 48 CO 0.47 -3.19 1.77 0.00 0.00 0.00 0.00 175.35 174.40 2jya n GLN 49 N 9.05 2.68 -2.78 1.78 10.64 -1.19 -3.85 117.38 133.71 2jya n GLN 49 Ca 0.32 0.97 -0.43 0.00 -1.83 0.00 0.00 57.00 56.04 2jya n GLN 49 Cb 0.53 -2.83 -0.03 0.00 -0.86 0.00 0.00 30.24 27.05 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 2.00 3.52 0.51 2.61 0.00 -1.26 -0.81 119.66 126.23 2jya s GLN 50 Ca 0.80 -1.37 -0.03 0.00 -0.00 0.00 0.00 55.36 54.76 2jya s GLN 50 Cb -0.52 -4.95 -0.00 0.00 0.00 0.00 0.00 33.01 27.53 2jya s GLN 50 CO 0.36 -1.94 0.78 0.14 0.00 0.00 0.00 175.29 174.63 2jya s VAL 51 N 3.76 4.00 -0.04 3.63 -7.23 -0.76 -4.85 120.40 118.92 2jya s VAL 51 Ca 0.36 -0.20 -0.05 0.00 -1.81 0.00 0.00 61.98 60.28 2jya s VAL 51 Cb -0.05 -3.53 0.01 0.00 0.56 0.00 0.00 36.38 33.38 2jya s VAL 51 CO -0.06 -0.46 0.13 -1.59 -0.31 0.00 0.00 175.10 172.81 2jya s LYS 52 N -4.75 0.23 0.28 4.82 -2.85 -1.26 -1.98 119.74 114.22 2jya s LYS 52 Ca 0.50 0.05 0.12 0.00 -1.00 0.00 0.00 55.97 55.64 2jya s LYS 52 Cb -0.10 0.10 -0.05 0.00 -2.06 0.00 0.00 37.83 35.72 2jya s LYS 52 CO 0.42 -0.04 -0.20 -0.51 0.10 0.00 0.00 175.35 175.12 2jya s LEU 53 N -0.26 2.59 -0.07 2.77 1.02 -0.16 -4.99 118.68 119.59 2jya s LEU 53 Ca -0.03 -1.03 0.03 0.00 0.02 0.00 0.00 54.13 53.12 2jya s LEU 53 Cb -0.03 -1.08 0.01 0.00 0.02 0.00 0.00 46.19 45.11 2jya s LEU 53 CO 0.00 0.03 -0.17 0.42 0.02 0.00 0.00 176.35 176.66 2jya s THR 54 N -2.53 1.45 0.11 5.49 -4.23 -1.26 -0.81 115.64 113.86 2jya s THR 54 Ca 0.30 -0.68 0.06 0.00 -1.18 0.00 0.00 61.69 60.18 2jya s THR 54 Cb -0.05 -1.28 -0.04 0.00 1.34 0.00 0.00 72.50 72.48 2jya s THR 54 CO 0.15 0.42 -0.14 -0.36 -0.54 0.00 0.00 174.62 174.15 2jya s PHE 55 N 0.42 1.38 0.21 3.99 0.40 -0.20 -5.01 117.98 119.16 2jya s PHE 55 Ca -0.13 -0.53 0.21 0.00 -0.60 0.00 0.00 56.93 55.88 2jya s PHE 55 Cb -0.15 -0.73 0.86 0.00 0.51 0.00 0.00 43.02 43.50 2jya s PHE 55 CO 0.05 0.13 1.81 0.93 0.70 0.00 0.00 175.22 178.84 2jya h GLU 56 N 3.68 0.00 -4.84 0.44 5.08 -1.98 -2.20 114.58 114.76 2jya h GLU 56 Ca -0.40 0.00 -0.29 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 0.48 0.30 -0.68 0.95 -1.00 0.00 0.00 179.01 179.06 2jya s THR 57 N -3.74 0.80 0.19 1.13 -4.23 -1.26 -4.59 115.64 103.94 2jya s THR 57 Ca -0.00 -1.99 -0.12 0.00 -1.18 0.00 0.00 61.69 58.40 2jya s THR 57 Cb 0.11 -1.98 0.10 0.00 1.34 0.00 0.00 72.50 72.07 2jya s THR 57 CO 0.66 -0.61 1.82 -0.61 -0.54 0.00 0.00 174.62 175.34 2jya h GLN 58 N 2.76 0.67 -0.75 3.99 4.15 -1.94 -3.15 115.11 120.85 2jya h GLN 58 Ca -0.36 -0.04 0.10 0.00 0.77 0.00 0.00 58.65 59.12 2jya h GLN 58 Cb 1.19 -0.15 -0.08 0.00 0.21 0.00 0.00 27.48 28.66 2jya h GLN 58 CO 0.63 0.44 0.38 0.93 -1.93 0.00 0.00 178.83 179.28 2jya h GLU 59 N 0.69 0.60 -0.02 1.69 5.08 -1.99 -0.63 114.58 120.00 2jya h GLU 59 Ca 0.24 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.44 2jya h GLU 59 Cb 0.04 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 2jya h GLU 59 CO -0.11 0.40 -0.55 1.96 -1.00 0.00 0.00 179.01 179.71 2jya h GLN 60 N 0.62 0.05 0.22 2.33 4.20 -1.96 -1.41 115.11 119.16 2jya h GLN 60 Ca 0.37 -0.03 -0.32 0.00 0.06 0.00 0.00 58.65 58.73 2jya h GLN 60 Cb 0.42 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.23 2jya h GLN 60 CO -0.29 0.59 -1.44 0.00 -0.67 0.00 0.00 178.83 177.02 2jya h ALA 61 N 1.40 -0.07 0.02 3.87 0.00 -1.31 -2.74 119.26 120.42 2jya h ALA 61 Ca -0.00 -0.89 -0.25 0.00 0.00 0.00 0.00 54.91 53.77 2jya h ALA 61 Cb 0.99 0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.94 2jya h ALA 61 CO 0.07 0.79 -1.02 1.05 0.00 0.00 0.00 179.25 180.15 2jya h GLU 62 N 0.13 0.51 -0.13 0.00 4.11 -1.17 -2.68 114.58 115.34 2jya h GLU 62 Ca -0.23 -0.58 -0.07 0.00 0.07 0.00 0.00 59.36 58.55 2jya h GLU 62 Cb 2.12 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 31.53 2jya h GLU 62 CO 0.25 1.21 -0.23 0.00 0.07 0.00 0.00 179.01 180.31 2jya h ALA 63 N 0.59 1.37 0.09 1.06 0.00 -1.36 0.02 119.26 121.04 2jya h ALA 63 Ca -0.11 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 2jya h ALA 63 Cb 1.67 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.38 2jya h ALA 63 CO 0.19 0.43 -0.05 -0.92 0.00 0.00 0.00 179.25 178.90 2jya h TYR 64 N 0.21 -0.12 -0.61 0.00 3.20 -1.47 -1.13 116.97 117.05 2jya h TYR 64 Ca 0.04 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.99 2jya h TYR 64 Cb 0.53 0.04 -0.07 0.00 1.54 0.00 0.00 36.73 38.77 2jya h TYR 64 CO 0.01 0.18 0.26 0.00 -1.64 0.00 0.00 178.16 176.97 2jya h ALA 65 N 0.45 0.80 -0.55 1.82 0.00 -1.30 -2.52 119.26 117.96 2jya h ALA 65 Ca -0.01 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2jya h ALA 65 Cb 0.35 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2jya h ALA 65 CO 0.02 -0.14 0.20 1.96 0.00 0.00 0.00 179.25 181.29 2jya h GLN 66 N 0.47 0.84 -0.82 0.00 4.20 -0.96 0.43 115.11 119.27 2jya h GLN 66 Ca 0.30 -0.17 0.10 0.00 0.06 0.00 0.00 58.65 58.95 2jya h GLN 66 Cb 0.32 -0.13 -0.06 0.00 0.30 0.00 0.00 27.48 27.92 2jya h GLN 66 CO -0.27 0.75 0.54 -0.09 -0.67 0.00 0.00 178.83 179.09 2jya h ARG 67 N 0.76 0.72 0.00 1.46 2.43 -0.99 -1.97 114.38 116.79 2jya h ARG 67 Ca 0.18 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2jya h ARG 67 Cb 0.24 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2jya h ARG 67 CO -0.01 0.47 -0.83 0.87 -1.51 0.00 0.00 179.97 178.97 2jya h LYS 68 N 0.74 0.00 0.00 0.20 1.79 -0.99 -3.48 116.57 114.82 2jya h LYS 68 Ca 0.39 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.86 2jya h LYS 68 Cb 0.50 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 2jya h LYS 68 CO -0.15 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.63 2jya n GLY 69 N 1.20 0.65 3.60 3.86 0.00 0.49 -5.03 105.19 109.96 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 -2.39 3.10 0.32 -0.61 1.01 0.12 -4.91 121.20 117.83 2jya s ILE 70 Ca 0.00 0.10 -0.29 0.00 0.00 0.00 0.00 60.65 60.46 2jya s ILE 70 Cb 0.00 -3.13 -0.13 0.00 0.01 0.00 0.00 42.46 39.21 2jya s ILE 70 CO 0.00 -0.09 1.29 -1.84 0.00 0.00 0.00 174.94 174.30 2jya n GLU 71 N 8.72 2.05 -3.94 2.79 0.28 -1.25 -4.14 120.64 125.14 2jya n GLU 71 Ca 0.29 0.72 -0.10 0.00 -0.16 0.00 0.00 57.16 57.91 2jya n GLU 71 Cb 0.46 -2.30 -0.12 0.00 1.43 0.00 0.00 31.44 30.92 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 -0.90 0.17 -0.04 -1.84 1.13 -1.26 -0.93 117.35 113.67 2jya s TYR 72 Ca 0.58 -0.35 0.06 0.00 -1.41 0.00 0.00 57.07 55.95 2jya s TYR 72 Cb -0.59 -0.13 -0.01 0.00 -1.10 0.00 0.00 41.96 40.13 2jya s TYR 72 CO 0.60 -0.15 -0.22 0.50 -2.51 0.00 0.00 175.55 173.76 2jya s ARG 73 N -1.07 2.14 -0.11 -3.49 6.06 -0.38 -4.96 118.95 117.15 2jya s ARG 73 Ca -0.12 -0.80 -0.03 0.00 -2.50 0.00 0.00 55.73 52.28 2jya s ARG 73 Cb -0.07 -1.89 -0.03 0.00 0.06 0.00 0.00 34.95 33.02 2jya s ARG 73 CO -0.01 0.38 0.03 0.14 -2.50 0.00 0.00 175.30 173.34 2jya s VAL 74 N -0.22 4.51 -0.05 7.11 -7.23 -1.26 -1.66 120.40 121.61 2jya s VAL 74 Ca -0.00 -0.16 0.06 0.00 -1.81 0.00 0.00 61.98 60.07 2jya s VAL 74 Cb -0.12 -2.93 -0.01 0.00 0.56 0.00 0.00 36.38 33.88 2jya s VAL 74 CO 0.02 0.58 -0.25 -0.63 -0.31 0.00 0.00 175.10 174.51 2jya s ILE 75 N -0.69 2.08 0.59 -0.62 1.09 0.36 -4.94 121.20 119.07 2jya s ILE 75 Ca 0.11 -1.07 -0.16 0.00 -1.10 0.00 0.00 60.65 58.43 2jya s ILE 75 Cb -0.12 -1.74 -0.04 0.00 -1.06 0.00 0.00 42.46 39.50 2jya s ILE 75 CO 0.02 0.57 1.06 -0.76 -0.10 0.00 0.00 174.94 175.74 2jya s LEU 76 N -0.27 3.54 1.06 2.97 1.43 -1.26 -4.20 118.68 121.95 2jya s LEU 76 Ca -0.00 1.86 -0.15 0.00 -1.03 0.00 0.00 54.13 54.81 2jya s LEU 76 Cb -0.13 -4.54 0.22 0.00 0.03 0.00 0.00 46.19 41.77 2jya s LEU 76 CO 0.03 -1.17 1.10 -2.16 0.23 0.00 0.00 176.35 174.38 2jya s PRO 77 N -3.95 -0.10 0.61 1.29 0.04 -1.26 -4.66 135.00 126.98 2jya s PRO 77 Ca 0.65 0.30 0.31 0.00 0.04 0.00 0.00 61.00 62.29 2jya s PRO 77 Cb -0.17 -1.70 1.74 0.00 0.04 0.00 0.00 34.50 34.42 2jya s PRO 77 CO 0.35 -3.04 2.10 1.57 0.04 0.00 0.00 177.00 178.02 2jya h LYS 78 N -2.11 0.00 0.00 4.56 5.09 -1.95 -2.90 116.57 119.26 2jya h LYS 78 Ca -0.52 0.00 -0.22 0.00 0.09 0.00 0.00 60.65 60.00 2jya h LYS 78 Cb 1.32 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 33.62 2jya h LYS 78 CO 0.51 0.00 -1.78 -0.85 -2.09 0.00 0.00 179.45 175.24 2jya n GLU 79 N -3.59 0.31 -0.40 0.07 -0.00 -1.26 -5.15 120.64 110.62 2jya n GLU 79 Ca 0.01 0.11 0.00 0.00 -0.00 0.00 0.00 57.16 57.28 2jya n GLU 79 Cb 0.31 -1.11 0.00 0.00 -0.00 0.00 0.00 31.44 30.65 2jya n GLU 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13