#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqr s ARG 2 N 0.00 1.59 0.13 2.12 3.00 -1.26 -5.06 118.95 119.46 1sqr s ARG 2 Ca 0.00 -0.56 -0.07 0.00 0.00 0.00 0.00 55.73 55.10 1sqr s ARG 2 Cb 0.00 -2.13 -0.02 0.00 0.00 0.00 0.00 34.95 32.81 1sqr s ARG 2 CO 0.00 -1.64 0.19 0.42 0.00 0.00 0.00 175.30 174.27 1sqr s ILE 3 N -3.40 0.11 0.31 1.52 1.01 -1.26 -5.01 121.20 114.47 1sqr s ILE 3 Ca 0.66 -1.47 0.05 0.00 0.00 0.00 0.00 60.65 59.89 1sqr s ILE 3 Cb -0.07 -1.72 -0.03 0.00 0.01 0.00 0.00 42.46 40.64 1sqr s ILE 3 CO 0.47 -0.48 0.23 -1.59 0.00 0.00 0.00 174.94 173.57 1sqr s LYS 4 N -3.95 1.65 0.08 2.79 -2.85 -1.26 -2.55 119.74 113.65 1sqr s LYS 4 Ca 0.14 -1.95 -0.14 0.00 -1.00 0.00 0.00 55.97 53.03 1sqr s LYS 4 Cb 0.05 0.22 0.05 0.00 -2.06 0.00 0.00 37.83 36.09 1sqr s LYS 4 CO -0.03 -0.57 0.67 0.41 0.10 0.00 0.00 175.35 175.92 1sqr n GLY 5 N -0.57 0.76 2.76 0.59 0.00 0.57 -3.56 105.19 105.74 1sqr n GLY 5 Ca 0.05 -1.04 -0.16 0.00 0.00 0.00 0.00 46.02 44.87 1sqr n GLY 5 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sqr s VAL 6 N -2.22 -0.08 0.66 1.61 1.01 0.02 -1.75 120.40 119.65 1sqr s VAL 6 Ca 0.15 0.27 -0.17 0.00 0.00 0.00 0.00 61.98 62.23 1sqr s VAL 6 Cb -0.01 -0.11 -0.00 0.00 0.00 0.00 0.00 36.38 36.25 1sqr s VAL 6 CO 0.03 0.11 1.22 -0.69 0.00 0.00 0.00 175.10 175.77 1sqr s VAL 7 N 1.36 2.39 -0.04 2.92 1.01 -1.26 -1.83 120.40 124.96 1sqr s VAL 7 Ca -0.06 0.22 -0.08 0.00 0.00 0.00 0.00 61.98 62.07 1sqr s VAL 7 Cb -0.13 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 1sqr s VAL 7 CO -0.03 -0.07 -0.15 0.18 0.00 0.00 0.00 175.10 175.02 1sqr n LEU 8 N -2.11 1.33 -3.64 3.92 4.77 -1.05 -4.84 117.00 115.38 1sqr n LEU 8 Ca 0.14 0.20 -0.06 0.00 -0.03 0.00 0.00 56.01 56.26 1sqr n LEU 8 Cb 0.50 -0.50 -0.07 0.00 -2.33 0.00 0.00 43.42 41.01 1sqr n LEU 8 CO 0.46 -0.51 0.61 -0.55 -1.33 0.00 0.00 177.39 176.07 1sqr s SER 9 N -5.76 -0.60 -0.30 -1.43 0.15 -1.25 -5.03 113.70 99.48 1sqr s SER 9 Ca -0.13 1.02 -0.08 0.00 0.70 0.00 0.00 55.95 57.46 1sqr s SER 9 Cb 0.02 1.17 0.00 0.00 -1.71 0.00 0.00 66.02 65.50 1sqr s SER 9 CO 0.19 -0.17 0.11 -0.47 1.20 0.00 0.00 173.24 174.10 1sqr s TYR 10 N 1.03 3.15 -0.31 3.44 5.04 -1.26 -2.50 117.35 125.93 1sqr s TYR 10 Ca -0.05 -0.78 -0.21 0.00 -2.44 0.00 0.00 57.07 53.59 1sqr s TYR 10 Cb -0.04 -2.29 -0.00 0.00 0.35 0.00 0.00 41.96 39.97 1sqr s TYR 10 CO -0.12 -0.52 0.68 0.50 -1.34 0.00 0.00 175.55 174.75 1sqr s ARG 11 N 1.55 3.88 -1.04 4.97 3.00 -0.06 -4.97 118.95 126.28 1sqr s ARG 11 Ca 0.04 0.34 -0.02 0.00 -1.00 0.00 0.00 55.73 55.09 1sqr s ARG 11 Cb -0.17 -3.74 0.32 0.00 0.00 0.00 0.00 34.95 31.36 1sqr s ARG 11 CO 0.04 -0.63 1.74 2.89 0.00 0.00 0.00 175.30 179.33 1sqr n ARG 12 N 6.01 5.20 -1.53 5.12 0.00 -1.26 -1.90 116.66 128.30 1sqr n ARG 12 Ca 0.00 -4.64 -0.62 0.00 -0.00 0.00 0.00 57.85 52.59 1sqr n ARG 12 Cb 0.49 -2.48 -0.10 0.00 -0.00 0.00 0.00 32.46 30.37 1sqr n ARG 12 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1sqr n SER 13 N 0.28 1.04 0.42 2.89 2.88 -1.26 -4.85 113.62 115.02 1sqr n SER 13 Ca 0.42 1.01 -0.17 0.00 -1.33 0.00 0.00 58.87 58.79 1sqr n SER 13 Cb 0.28 -0.83 -0.08 0.00 -0.75 0.00 0.00 64.21 62.83 1sqr n SER 13 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1sqr h LYS 14 N 5.59 -1.05 0.00 -1.46 3.64 -1.97 -3.45 116.57 117.88 1sqr h LYS 14 Ca -0.34 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 1sqr h LYS 14 Cb 1.30 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 33.36 1sqr h LYS 14 CO 0.95 -0.70 0.00 -0.85 -2.27 0.00 0.00 179.45 176.58 1sqr n GLU 15 N -5.21 0.50 -3.31 1.90 0.00 -1.26 -5.04 120.64 108.23 1sqr n GLU 15 Ca -0.14 0.00 -0.10 0.00 0.00 0.00 0.00 57.16 56.92 1sqr n GLU 15 Cb 0.43 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 31.81 1sqr n GLU 15 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 1sqr s ASN 16 N -2.04 0.40 0.00 -1.84 2.47 -1.26 -4.87 114.94 107.80 1sqr s ASN 16 Ca 0.00 -0.84 0.00 0.00 0.42 0.00 0.00 52.86 52.44 1sqr s ASN 16 Cb 0.00 1.03 0.00 0.00 -1.45 0.00 0.00 41.25 40.83 1sqr s ASN 16 CO 0.00 -0.30 0.37 0.00 -3.72 0.00 0.00 177.10 173.46 1sqr n GLN 17 N 4.86 0.00 0.00 0.43 -0.00 -1.26 -4.91 117.38 116.50 1sqr n GLN 17 Ca 0.05 -0.06 0.00 0.00 -0.00 0.00 0.00 57.00 56.99 1sqr n GLN 17 Cb 0.49 -0.04 0.00 0.00 -0.00 0.00 0.00 30.24 30.69 1sqr n GLN 17 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1sqr n HIS 18 N 0.00 0.00 -0.86 2.61 8.25 -1.26 -5.16 115.22 118.79 1sqr n HIS 18 Ca 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.57 1sqr n HIS 18 Cb 0.51 0.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.59 1sqr n HIS 18 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1sqr n ASN 19 N 0.00 -5.17 -4.77 0.41 5.15 -1.26 -4.85 115.26 104.78 1sqr n ASN 19 Ca 0.00 0.52 -0.38 0.00 -0.60 0.00 0.00 54.58 54.11 1sqr n ASN 19 Cb 0.04 -2.73 -0.06 0.00 -0.53 0.00 0.00 39.78 36.50 1sqr n ASN 19 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1sqr s ASN 20 N -5.88 7.31 0.18 1.20 0.02 -1.26 -4.70 114.94 111.82 1sqr s ASN 20 Ca 0.00 1.97 0.09 0.00 -1.02 0.00 0.00 52.86 53.90 1sqr s ASN 20 Cb 0.00 -2.60 -0.04 0.00 0.02 0.00 0.00 41.25 38.63 1sqr s ASN 20 CO 0.00 -0.09 -0.07 -0.69 0.02 0.00 0.00 177.10 176.27 1sqr s VAL 21 N -1.43 3.30 -0.08 1.60 1.01 -0.80 -4.70 120.40 119.30 1sqr s VAL 21 Ca 0.48 -1.63 -0.03 0.00 0.00 0.00 0.00 61.98 60.80 1sqr s VAL 21 Cb -0.23 -2.65 0.05 0.00 0.00 0.00 0.00 36.38 33.54 1sqr s VAL 21 CO 0.29 -0.13 0.16 -0.32 0.00 0.00 0.00 175.10 175.11 1sqr s MET 22 N -2.90 0.06 -0.15 2.72 0.00 -0.36 -0.88 119.30 117.78 1sqr s MET 22 Ca 0.26 0.51 -0.10 0.00 0.00 0.00 0.00 55.69 56.36 1sqr s MET 22 Cb -0.09 -0.23 -0.05 0.00 0.00 0.00 0.00 34.83 34.47 1sqr s MET 22 CO 0.16 -0.26 0.18 0.42 0.00 0.00 0.00 175.02 175.52 1sqr s ILE 23 N 1.93 5.41 0.14 10.11 -1.09 -1.04 -0.27 121.20 136.39 1sqr s ILE 23 Ca -0.01 0.30 0.08 0.00 -2.23 0.00 0.00 60.65 58.79 1sqr s ILE 23 Cb -0.12 -3.48 -0.04 0.00 -1.58 0.00 0.00 42.46 37.24 1sqr s ILE 23 CO -0.06 0.52 -0.18 -0.63 -1.23 0.00 0.00 174.94 173.35 1sqr s ILE 24 N -0.29 1.73 -0.31 2.92 1.01 -1.05 -2.54 121.20 122.67 1sqr s ILE 24 Ca 0.13 -1.80 -0.02 0.00 0.00 0.00 0.00 60.65 58.95 1sqr s ILE 24 Cb -0.12 -1.73 0.11 0.00 0.01 0.00 0.00 42.46 40.72 1sqr s ILE 24 CO 0.02 -0.27 0.13 -0.75 0.00 0.00 0.00 174.94 174.08 1sqr s LYS 25 N -2.57 0.41 0.21 2.79 2.20 -0.76 -2.34 119.74 119.68 1sqr s LYS 25 Ca 0.13 -0.82 -0.30 0.00 -0.36 0.00 0.00 55.97 54.62 1sqr s LYS 25 Cb -0.07 -1.44 -0.09 0.00 -1.51 0.00 0.00 37.83 34.73 1sqr s LYS 25 CO 0.06 -1.04 1.26 -2.14 -0.36 0.00 0.00 175.35 173.12 1sqr s PRO 26 N 1.79 4.44 0.00 4.03 0.02 -1.26 -0.80 135.00 143.22 1sqr s PRO 26 Ca 0.11 1.99 0.00 0.00 0.02 0.00 0.00 61.00 63.12 1sqr s PRO 26 Cb -0.17 -3.20 0.00 0.00 0.02 0.00 0.00 34.50 31.15 1sqr s PRO 26 CO -0.28 -0.16 0.00 1.28 -0.33 0.00 0.00 177.00 177.51 1sqr n LEU 27 N 2.31 0.00 0.00 -5.54 4.32 -1.23 -4.33 117.00 112.53 1sqr n LEU 27 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.03 1sqr n LEU 27 Cb 0.43 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.23 1sqr n LEU 27 CO 0.57 0.00 0.00 -0.90 -1.22 0.00 0.00 177.39 175.84 1sqr n ASP 28 N -0.23 0.00 -4.03 -1.43 5.68 -1.26 -4.93 116.55 110.36 1sqr n ASP 28 Ca 0.00 0.00 -0.29 0.00 -0.50 0.00 0.00 54.79 54.00 1sqr n ASP 28 Cb 0.00 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 39.96 1sqr n ASP 28 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 1sqr n VAL 29 N 0.00 -2.39 -1.50 2.12 0.31 -1.26 -4.78 118.33 110.83 1sqr n VAL 29 Ca 0.00 -0.32 -0.27 0.00 -0.01 0.00 0.00 64.34 63.74 1sqr n VAL 29 Cb 0.00 -2.38 -0.06 0.00 -0.91 0.00 0.00 33.84 30.48 1sqr n VAL 29 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1sqr n ASN 30 N -2.88 6.55 -3.24 4.52 0.23 -1.26 -3.20 115.26 115.98 1sqr n ASN 30 Ca -0.17 -3.13 0.02 0.00 -0.53 0.00 0.00 54.58 50.77 1sqr n ASN 30 Cb 0.62 -1.27 -0.02 0.00 -2.08 0.00 0.00 39.78 37.03 1sqr n ASN 30 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1sqr s SER 31 N 0.52 -1.21 0.54 0.53 1.04 -1.25 -4.93 113.70 108.94 1sqr s SER 31 Ca 0.59 0.92 0.36 0.00 0.48 0.00 0.00 55.95 58.31 1sqr s SER 31 Cb 0.36 2.09 1.55 0.00 0.10 0.00 0.00 66.02 70.12 1sqr s SER 31 CO -0.19 -0.26 1.81 -0.09 0.98 0.00 0.00 173.24 175.49 1sqr h ARG 32 N 8.02 0.00 0.79 4.02 2.43 -1.85 0.44 114.38 128.23 1sqr h ARG 32 Ca -0.22 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.91 1sqr h ARG 32 Cb 1.15 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.71 1sqr h ARG 32 CO 0.24 0.00 -0.38 0.93 -1.51 0.00 0.00 179.97 179.25 1sqr h GLU 33 N 0.00 -1.02 -0.05 0.20 5.08 -1.95 0.50 114.58 117.35 1sqr h GLU 33 Ca 0.55 0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.98 1sqr h GLU 33 Cb 2.24 0.23 -0.00 0.00 0.50 0.00 0.00 28.75 31.72 1sqr h GLU 33 CO -0.01 -0.67 0.01 0.93 -1.00 0.00 0.00 179.01 178.27 1sqr h GLU 34 N -1.12 0.07 0.36 2.33 3.07 -0.96 0.17 114.58 118.51 1sqr h GLU 34 Ca -0.11 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.73 1sqr h GLU 34 Cb 0.82 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.70 1sqr h GLU 34 CO 0.18 0.30 -0.47 0.00 -1.40 0.00 0.00 179.01 177.62 1sqr h ALA 35 N 0.77 -1.07 -0.99 3.43 0.00 -0.31 0.42 119.26 121.51 1sqr h ALA 35 Ca 0.01 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 54.89 1sqr h ALA 35 Cb 0.26 0.75 -0.08 0.00 0.00 0.00 0.00 17.79 18.71 1sqr h ALA 35 CO 0.00 -1.13 0.63 1.03 0.00 0.00 0.00 179.25 179.78 1sqr h SER 36 N -0.85 0.90 0.98 0.00 0.87 -0.01 0.13 113.55 115.57 1sqr h SER 36 Ca -0.04 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1sqr h SER 36 Cb 0.77 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 1sqr h SER 36 CO -0.12 0.48 0.00 0.11 -0.53 0.00 0.00 176.83 176.77 1sqr h LYS 37 N 0.96 0.00 0.00 2.24 1.57 0.18 -2.49 116.57 119.03 1sqr h LYS 37 Ca 0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.27 1sqr h LYS 37 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1sqr h LYS 37 CO -0.25 0.00 -0.38 -0.11 -0.57 0.00 0.00 179.45 178.14 1sqr n LEU 38 N -3.08 0.67 -4.67 2.94 0.00 0.14 -4.88 117.00 108.12 1sqr n LEU 38 Ca 0.00 0.34 -0.46 0.00 0.00 0.00 0.00 56.01 55.89 1sqr n LEU 38 Cb 0.30 -0.25 -0.04 0.00 0.00 0.00 0.00 43.42 43.42 1sqr n LEU 38 CO 0.27 -0.07 1.26 -0.38 0.00 0.00 0.00 177.39 178.46 1sqr n ILE 39 N -2.06 0.12 0.00 1.96 5.41 -0.94 -1.37 119.36 122.48 1sqr n ILE 39 Ca 0.04 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.77 1sqr n ILE 39 Cb 0.42 -1.62 0.00 0.00 -0.71 0.00 0.00 39.64 37.73 1sqr n ILE 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1sqr n GLY 40 N 3.63 1.73 3.75 7.39 0.00 -1.24 -5.07 105.19 115.37 1sqr n GLY 40 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1sqr n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sqr s ARG 41 N -0.61 1.80 -0.20 1.61 0.52 -0.47 -4.79 118.95 116.81 1sqr s ARG 41 Ca 0.00 1.01 -0.08 0.00 -0.52 0.00 0.00 55.73 56.14 1sqr s ARG 41 Cb 0.00 -1.86 -0.04 0.00 0.52 0.00 0.00 34.95 33.57 1sqr s ARG 41 CO 0.00 -1.91 0.08 -1.17 0.02 0.00 0.00 175.30 172.32 1sqr s LEU 42 N -6.06 3.85 -0.50 2.53 2.96 -1.26 -3.03 118.68 117.18 1sqr s LEU 42 Ca 0.62 0.07 -0.19 0.00 -0.22 0.00 0.00 54.13 54.41 1sqr s LEU 42 Cb -0.17 -1.99 0.06 0.00 0.50 0.00 0.00 46.19 44.58 1sqr s LEU 42 CO 0.56 0.14 0.59 0.68 -1.32 0.00 0.00 176.35 177.01 1sqr s VAL 43 N 0.59 4.92 -0.64 1.68 -7.23 -1.21 -4.59 120.40 113.92 1sqr s VAL 43 Ca 0.04 -0.54 -0.13 0.00 -1.81 0.00 0.00 61.98 59.54 1sqr s VAL 43 Cb -0.13 -4.27 0.16 0.00 0.56 0.00 0.00 36.38 32.71 1sqr s VAL 43 CO 0.01 -0.77 0.56 -0.22 -0.31 0.00 0.00 175.10 174.38 1sqr s LEU 44 N 2.51 6.21 -0.14 1.32 0.20 0.70 -2.48 118.68 127.00 1sqr s LEU 44 Ca 0.14 -2.26 -0.08 0.00 0.69 0.00 0.00 54.13 52.62 1sqr s LEU 44 Cb -0.20 -2.13 -0.04 0.00 -0.43 0.00 0.00 46.19 43.39 1sqr s LEU 44 CO 0.11 -0.67 0.15 0.86 -0.29 0.00 0.00 176.35 176.52 1sqr s TRP 45 N 0.85 3.55 0.75 5.38 -0.00 -0.73 -3.02 118.94 125.71 1sqr s TRP 45 Ca 0.10 0.49 -0.10 0.00 -0.00 0.00 0.00 56.10 56.60 1sqr s TRP 45 Cb -0.21 -2.03 0.06 0.00 -0.00 0.00 0.00 33.47 31.29 1sqr s TRP 45 CO -0.03 0.59 1.10 0.15 -0.00 0.00 0.00 176.95 178.76 1sqr s LYS 46 N -0.58 2.19 -0.26 5.86 1.02 -1.26 -2.35 119.74 124.36 1sqr s LYS 46 Ca 0.13 0.01 -0.31 0.00 0.02 0.00 0.00 55.97 55.82 1sqr s LYS 46 Cb -0.12 -2.06 0.17 0.00 -0.52 0.00 0.00 37.83 35.31 1sqr s LYS 46 CO 0.03 -1.36 1.30 0.45 -0.92 0.00 0.00 175.35 174.84 1sqr s SER 47 N -4.52 -0.09 0.93 2.83 0.15 -1.25 -4.86 113.70 106.89 1sqr s SER 47 Ca 0.60 0.08 -0.12 0.00 0.70 0.00 0.00 55.95 57.21 1sqr s SER 47 Cb -0.11 0.08 0.13 0.00 -1.71 0.00 0.00 66.02 64.41 1sqr s SER 47 CO 0.47 -0.10 0.18 -0.81 1.20 0.00 0.00 173.24 174.19 1sqr n PRO 48 N 0.42 -1.81 -0.99 5.44 -0.04 -1.26 -3.17 135.00 133.59 1sqr n PRO 48 Ca -0.01 -0.54 0.00 0.00 -0.04 0.00 0.00 63.50 62.92 1sqr n PRO 48 Cb 0.58 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 1sqr n PRO 48 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1sqr n SER 49 N -0.43 -5.80 0.00 3.54 7.64 -1.26 -1.56 113.62 115.75 1sqr n SER 49 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1sqr n SER 49 Cb 0.32 -3.45 0.00 0.00 -1.01 0.00 0.00 64.21 60.08 1sqr n SER 49 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sqr n GLY 50 N 0.88 0.09 3.55 0.23 0.00 -1.19 -4.89 105.19 103.87 1sqr n GLY 50 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1sqr n GLY 50 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sqr s LYS 51 N -1.60 3.03 -0.37 1.61 2.20 -0.60 -4.96 119.74 119.05 1sqr s LYS 51 Ca 0.00 -0.23 -0.26 0.00 -0.36 0.00 0.00 55.97 55.13 1sqr s LYS 51 Cb 0.00 -4.64 0.01 0.00 -1.51 0.00 0.00 37.83 31.70 1sqr s LYS 51 CO 0.00 -2.51 0.92 0.42 -0.36 0.00 0.00 175.35 173.82 1sqr s ILE 52 N 7.12 4.60 0.03 5.43 -1.09 -1.26 -3.97 121.20 132.06 1sqr s ILE 52 Ca 0.51 1.18 -0.04 0.00 -2.23 0.00 0.00 60.65 60.07 1sqr s ILE 52 Cb -0.07 -4.33 -0.04 0.00 -1.58 0.00 0.00 42.46 36.44 1sqr s ILE 52 CO 0.08 -0.53 0.25 -0.76 -1.23 0.00 0.00 174.94 172.75 1sqr s LEU 53 N 3.45 4.35 -0.24 2.97 1.43 -0.99 -5.01 118.68 124.64 1sqr s LEU 53 Ca 0.38 0.44 -0.03 0.00 -1.03 0.00 0.00 54.13 53.89 1sqr s LEU 53 Cb -0.12 -2.81 0.11 0.00 0.03 0.00 0.00 46.19 43.40 1sqr s LEU 53 CO 0.18 0.21 0.28 -1.59 0.23 0.00 0.00 176.35 175.66 1sqr s LYS 54 N -2.10 0.26 0.00 1.70 -2.85 -1.26 -1.78 119.74 113.72 1sqr s LYS 54 Ca 0.31 0.17 0.00 0.00 -1.00 0.00 0.00 55.97 55.45 1sqr s LYS 54 Cb -0.13 -0.89 0.00 0.00 -2.06 0.00 0.00 37.83 34.75 1sqr s LYS 54 CO 0.21 -0.77 0.00 0.41 0.10 0.00 0.00 175.35 175.30 1sqr n GLY 55 N 5.33 2.61 3.45 0.59 0.00 -1.03 -4.95 105.19 111.19 1sqr n GLY 55 Ca -0.04 -1.90 -0.14 0.00 0.00 0.00 0.00 46.02 43.94 1sqr n GLY 55 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sqr s LYS 56 N 3.46 0.67 0.19 1.61 2.20 -1.26 -3.35 119.74 123.26 1sqr s LYS 56 Ca 0.00 0.70 -0.30 0.00 -0.36 0.00 0.00 55.97 56.01 1sqr s LYS 56 Cb 0.00 0.33 -0.08 0.00 -1.51 0.00 0.00 37.83 36.57 1sqr s LYS 56 CO 0.00 -0.10 1.19 0.42 -0.36 0.00 0.00 175.35 176.51 1sqr s ILE 57 N 0.14 3.57 -0.12 5.43 1.01 -1.17 -3.95 121.20 126.12 1sqr s ILE 57 Ca -0.01 1.33 -0.11 0.00 0.00 0.00 0.00 60.65 61.86 1sqr s ILE 57 Cb -0.04 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.54 1sqr s ILE 57 CO 0.01 0.22 -0.22 1.33 0.00 0.00 0.00 174.94 176.28 1sqr n VAL 58 N 2.45 0.98 -3.96 2.92 0.24 -1.10 -3.71 118.33 116.15 1sqr n VAL 58 Ca 0.04 0.27 -0.08 0.00 -2.04 0.00 0.00 64.34 62.53 1sqr n VAL 58 Cb 0.45 -2.06 -0.09 0.00 -1.47 0.00 0.00 33.84 30.67 1sqr n VAL 58 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1sqr s ARG 59 N -2.20 0.72 0.12 7.34 0.52 -1.26 -4.76 118.95 119.43 1sqr s ARG 59 Ca -0.18 -1.03 -0.22 0.00 -0.52 0.00 0.00 55.73 53.78 1sqr s ARG 59 Cb 0.02 0.28 -0.07 0.00 0.52 0.00 0.00 34.95 35.70 1sqr s ARG 59 CO 0.27 -0.19 0.67 0.54 0.02 0.00 0.00 175.30 176.61 1sqr s VAL 60 N -3.71 4.56 -0.41 3.52 0.11 -1.26 0.30 120.40 123.51 1sqr s VAL 60 Ca 0.04 1.44 0.04 0.00 -2.93 0.00 0.00 61.98 60.57 1sqr s VAL 60 Cb 0.05 -4.00 0.17 0.00 -1.53 0.00 0.00 36.38 31.07 1sqr s VAL 60 CO -0.10 0.52 0.35 -1.00 -3.33 0.00 0.00 175.10 171.55 1sqr s HIS 61 N -1.15 0.98 0.00 1.54 3.76 -1.23 -4.76 115.29 114.43 1sqr s HIS 61 Ca 0.33 -2.26 0.00 0.00 -0.15 0.00 0.00 55.06 52.98 1sqr s HIS 61 Cb -0.21 -0.86 0.00 0.00 1.11 0.00 0.00 32.58 32.62 1sqr s HIS 61 CO 0.22 -0.85 0.00 0.41 -0.85 0.00 0.00 174.74 173.68 1sqr n GLY 62 N 2.85 -0.27 6.20 -2.22 0.00 -1.25 -4.36 105.19 106.14 1sqr n GLY 62 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 1sqr n GLY 62 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sqr n THR 63 N 0.00 0.00 -1.68 2.61 -2.24 -1.26 -2.10 114.28 109.61 1sqr n THR 63 Ca 0.00 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.46 1sqr n THR 63 Cb 0.00 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 1sqr n THR 63 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1sqr n LYS 64 N 0.00 2.59 0.00 -0.78 5.02 -1.26 -3.72 118.16 120.00 1sqr n LYS 64 Ca 0.00 -2.85 0.00 0.00 -2.02 0.00 0.00 58.31 53.44 1sqr n LYS 64 Cb 0.00 -2.20 0.00 0.00 -0.02 0.00 0.00 35.03 32.81 1sqr n LYS 64 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sqr n GLY 65 N 0.31 3.03 3.52 0.72 0.00 -0.89 -3.90 105.19 107.98 1sqr n GLY 65 Ca 0.51 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.22 1sqr n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqr s ALA 66 N -1.19 0.32 0.20 4.61 0.00 -1.26 -4.74 121.76 119.69 1sqr s ALA 66 Ca 0.00 -1.04 -0.12 0.00 0.00 0.00 0.00 51.96 50.80 1sqr s ALA 66 Cb 0.00 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.27 1sqr s ALA 66 CO 0.00 -3.91 0.40 0.14 0.00 0.00 0.00 175.76 172.39 1sqr s VAL 67 N -2.88 0.03 0.23 0.00 -7.23 -0.99 -3.47 120.40 106.10 1sqr s VAL 67 Ca 0.71 -1.25 -0.13 0.00 -1.81 0.00 0.00 61.98 59.50 1sqr s VAL 67 Cb -0.08 -1.90 -0.08 0.00 0.56 0.00 0.00 36.38 34.88 1sqr s VAL 67 CO 0.56 -0.15 0.61 -0.60 -0.31 0.00 0.00 175.10 175.21 1sqr s ARG 68 N -3.96 3.93 0.18 4.82 3.52 0.15 -2.54 118.95 125.04 1sqr s ARG 68 Ca 0.17 0.48 -0.09 0.00 -0.13 0.00 0.00 55.73 56.16 1sqr s ARG 68 Cb 0.01 -2.67 -0.01 0.00 -1.56 0.00 0.00 34.95 30.72 1sqr s ARG 68 CO 0.02 0.32 0.30 0.00 -0.81 0.00 0.00 175.30 175.13 1sqr s ALA 69 N -1.76 0.04 -0.04 6.12 0.00 0.63 -2.70 121.76 124.06 1sqr s ALA 69 Ca 0.47 -0.93 -0.12 0.00 0.00 0.00 0.00 51.96 51.38 1sqr s ALA 69 Cb -0.12 0.92 0.02 0.00 0.00 0.00 0.00 23.12 23.93 1sqr s ALA 69 CO 0.20 -0.67 0.26 1.03 0.00 0.00 0.00 175.76 176.58 1sqr s ARG 70 N -3.98 0.53 -0.11 0.00 0.52 -1.25 -1.23 118.95 113.42 1sqr s ARG 70 Ca 0.19 -0.06 -0.01 0.00 -0.52 0.00 0.00 55.73 55.32 1sqr s ARG 70 Cb 0.03 0.24 0.04 0.00 0.52 0.00 0.00 34.95 35.77 1sqr s ARG 70 CO 0.02 -0.13 -0.01 -0.06 0.02 0.00 0.00 175.30 175.14 1sqr s PHE 71 N -0.90 0.96 -0.10 -0.53 0.40 -1.26 -4.15 117.98 112.40 1sqr s PHE 71 Ca -0.10 -0.48 0.14 0.00 -0.60 0.00 0.00 56.93 55.90 1sqr s PHE 71 Cb -0.05 -0.96 -0.07 0.00 0.51 0.00 0.00 43.02 42.45 1sqr s PHE 71 CO 0.02 -0.44 1.12 1.05 0.70 0.00 0.00 175.22 177.67 1sqr h GLU 72 N 8.27 0.00 0.00 0.44 4.11 -1.97 -3.23 114.58 122.20 1sqr h GLU 72 Ca -0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.22 1sqr h GLU 72 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1sqr h GLU 72 CO 0.31 0.48 -0.28 1.17 0.07 0.00 0.00 179.01 180.76 1sqr n LYS 73 N -3.10 0.06 -1.35 1.06 4.81 -1.26 -5.04 118.16 113.34 1sqr n LYS 73 Ca -0.04 0.03 0.17 0.00 -0.87 0.00 0.00 58.31 57.60 1sqr n LYS 73 Cb 0.83 -1.55 -0.07 0.00 0.02 0.00 0.00 35.03 34.26 1sqr n LYS 73 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1sqr n GLY 74 N 1.46 -2.72 4.02 3.14 0.00 -1.22 -4.95 105.19 104.93 1sqr n GLY 74 Ca 0.06 -1.12 -0.19 0.00 0.00 0.00 0.00 46.02 44.78 1sqr n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sqr s LEU 75 N -7.10 3.33 0.96 0.99 1.43 -1.26 -5.07 118.68 111.97 1sqr s LEU 75 Ca 0.00 -0.67 -0.13 0.00 -1.03 0.00 0.00 54.13 52.30 1sqr s LEU 75 Cb 0.00 -2.06 0.17 0.00 0.03 0.00 0.00 46.19 44.33 1sqr s LEU 75 CO 0.00 -1.10 1.14 -2.84 0.23 0.00 0.00 176.35 173.78 1sqr s PRO 76 N -4.53 0.71 -0.35 1.29 0.02 -1.26 -4.87 135.00 126.01 1sqr s PRO 76 Ca 0.59 0.26 -0.36 0.00 0.02 0.00 0.00 61.00 61.51 1sqr s PRO 76 Cb -0.07 -1.79 -0.12 0.00 0.02 0.00 0.00 34.50 32.53 1sqr s PRO 76 CO 0.36 -2.48 2.15 0.41 -0.33 0.00 0.00 177.00 177.12 1sqr n GLY 77 N -1.93 0.48 2.95 0.52 0.00 -1.26 -3.53 105.19 102.42 1sqr n GLY 77 Ca 0.07 0.95 -0.01 0.00 0.00 0.00 0.00 46.02 47.03 1sqr n GLY 77 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1sqr n GLN 78 N 7.96 -2.06 -0.46 1.61 0.00 -1.26 -4.96 117.38 118.20 1sqr n GLN 78 Ca 0.41 1.84 0.05 0.00 -0.00 0.00 0.00 57.00 59.30 1sqr n GLN 78 Cb 0.20 -2.57 0.08 0.00 0.00 0.00 0.00 30.24 27.95 1sqr n GLN 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1sqr n ALA 79 N 1.66 2.33 -2.36 1.69 0.00 -1.23 -5.00 120.51 117.59 1sqr n ALA 79 Ca -0.09 -2.04 -0.37 0.00 0.00 0.00 0.00 53.44 50.95 1sqr n ALA 79 Cb 0.28 -0.47 -0.04 0.00 0.00 0.00 0.00 19.45 19.23 1sqr n ALA 79 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1sqr s LEU 80 N -1.46 3.33 0.00 0.00 2.01 -1.26 -3.03 118.68 118.27 1sqr s LEU 80 Ca 0.20 -0.89 0.00 0.00 0.01 0.00 0.00 54.13 53.45 1sqr s LEU 80 Cb 0.19 -2.56 0.00 0.00 0.01 0.00 0.00 46.19 43.83 1sqr s LEU 80 CO -0.02 -2.00 0.00 0.61 1.01 0.00 0.00 176.35 175.95 1sqr n GLY 81 N 6.52 0.27 3.76 -3.19 0.00 -1.26 -5.10 105.19 106.18 1sqr n GLY 81 Ca 0.29 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.90 1sqr n GLY 81 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sqr s ASP 82 N 0.00 7.14 0.26 1.61 -1.08 -1.17 -4.83 116.67 118.60 1sqr s ASP 82 Ca 0.00 2.34 -0.30 0.00 -0.52 0.00 0.00 52.55 54.07 1sqr s ASP 82 Cb 0.00 -2.63 -0.09 0.00 -1.46 0.00 0.00 42.92 38.74 1sqr s ASP 82 CO 0.00 -0.26 1.28 -0.31 0.52 0.00 0.00 175.17 176.40 1sqr s TYR 83 N -0.95 3.24 0.38 -5.34 1.51 -1.26 -4.10 117.35 110.82 1sqr s TYR 83 Ca 0.47 1.37 -0.03 0.00 -1.01 0.00 0.00 57.07 57.87 1sqr s TYR 83 Cb -0.33 -3.58 -0.04 0.00 -0.11 0.00 0.00 41.96 37.90 1sqr s TYR 83 CO 0.42 -1.66 0.63 0.14 -1.11 0.00 0.00 175.55 173.97 1sqr s VAL 84 N -0.54 5.02 0.03 0.71 -7.23 -0.72 -4.71 120.40 112.96 1sqr s VAL 84 Ca 0.52 -0.11 -0.12 0.00 -1.81 0.00 0.00 61.98 60.46 1sqr s VAL 84 Cb -0.37 -3.83 0.01 0.00 0.56 0.00 0.00 36.38 32.75 1sqr s VAL 84 CO 0.44 -0.59 0.25 -1.61 -0.31 0.00 0.00 175.10 173.27 1sqr s GLU 85 N -4.26 0.71 -0.89 4.82 2.02 -1.26 -0.31 118.70 119.53 1sqr s GLU 85 Ca 0.43 -0.48 -0.00 0.00 0.02 0.00 0.00 54.97 54.94 1sqr s GLU 85 Cb -0.10 0.30 0.26 0.00 0.10 0.00 0.00 34.13 34.70 1sqr s GLU 85 CO 0.37 -0.21 1.03 -0.89 0.02 0.00 0.00 175.26 175.58 1sqr n ILE 86 N 0.82 3.70 1.22 -1.63 -0.00 -1.06 -0.22 119.36 122.20 1sqr n ILE 86 Ca -0.20 -5.45 0.13 0.00 -0.00 0.00 0.00 62.75 57.23 1sqr n ILE 86 Cb 0.58 -2.19 0.29 0.00 -0.00 0.00 0.00 39.64 38.32 1sqr n ILE 86 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.55 177.07