#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 2.58 0.35 0.03 1.70 -1.26 -4.94 118.95 117.40 1sqr s ARG 2 Ca 0.00 -1.49 0.02 0.00 -0.47 0.00 0.00 55.73 53.80 1sqr s ARG 2 Cb 0.00 -2.45 -0.01 0.00 -0.57 0.00 0.00 34.95 31.92 1sqr s ARG 2 CO 0.00 -0.22 0.39 0.42 -1.08 0.00 0.00 175.30 174.82 1sqr s ILE 3 N -2.45 0.00 -0.25 4.99 1.01 -1.25 -4.96 121.20 118.28 1sqr s ILE 3 Ca 0.49 -1.78 -0.03 0.00 0.00 0.00 0.00 60.65 59.34 1sqr s ILE 3 Cb -0.04 -2.60 0.11 0.00 0.01 0.00 0.00 42.46 39.94 1sqr s ILE 3 CO 0.29 0.00 0.22 -1.59 0.00 0.00 0.00 174.94 173.85 1sqr s LYS 4 N -3.16 0.23 0.71 2.79 0.00 -1.26 -2.51 119.74 116.54 1sqr s LYS 4 Ca 0.35 -0.13 -0.02 0.00 0.00 0.00 0.00 55.97 56.17 1sqr s LYS 4 Cb 0.01 -1.04 0.15 0.00 0.00 0.00 0.00 37.83 36.95 1sqr s LYS 4 CO 0.24 -0.89 0.98 0.41 0.00 0.00 0.00 175.35 176.10 1sqr n GLY 5 N 5.30 0.36 3.06 0.59 0.00 0.22 -3.46 105.19 111.25 1sqr n GLY 5 Ca -0.04 -1.98 -0.13 0.00 0.00 0.00 0.00 46.02 43.87 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 -2.99 -0.01 0.28 1.61 1.01 -0.98 -1.79 120.40 117.53 1sqr s VAL 6 Ca 0.63 0.05 -0.29 0.00 0.00 0.00 0.00 61.98 62.37 1sqr s VAL 6 Cb -0.03 -0.30 -0.09 0.00 0.00 0.00 0.00 36.38 35.95 1sqr s VAL 6 CO 0.42 0.02 1.09 -0.69 0.00 0.00 0.00 175.10 175.94 1sqr s VAL 7 N 0.43 3.53 -0.17 2.92 1.01 -1.26 -2.27 120.40 124.59 1sqr s VAL 7 Ca -0.03 1.52 -0.04 0.00 0.00 0.00 0.00 61.98 63.43 1sqr s VAL 7 Cb -0.04 -3.96 -0.09 0.00 0.00 0.00 0.00 36.38 32.29 1sqr s VAL 7 CO -0.02 0.35 -0.19 0.18 0.00 0.00 0.00 175.10 175.42 1sqr n LEU 8 N 1.13 2.03 -3.62 3.92 4.77 -1.14 -4.68 117.00 119.41 1sqr n LEU 8 Ca -0.01 0.08 -0.03 0.00 -0.03 0.00 0.00 56.01 56.01 1sqr n LEU 8 Cb 0.45 -0.54 -0.06 0.00 -2.33 0.00 0.00 43.42 40.95 1sqr n LEU 8 CO 0.53 0.55 0.41 -0.94 -1.33 0.00 0.00 177.39 176.62 1sqr s SER 9 N -6.11 -0.89 -0.59 -1.43 1.04 -1.25 -5.05 113.70 99.43 1sqr s SER 9 Ca -0.23 1.33 -0.14 0.00 0.48 0.00 0.00 55.95 57.38 1sqr s SER 9 Cb 0.08 1.66 0.15 0.00 0.10 0.00 0.00 66.02 68.00 1sqr s SER 9 CO 0.34 -0.20 0.53 -0.47 0.98 0.00 0.00 173.24 174.42 1sqr s TYR 10 N 2.05 3.39 0.13 5.02 5.04 -1.26 -2.43 117.35 129.29 1sqr s TYR 10 Ca -0.08 -1.58 -0.17 0.00 -2.44 0.00 0.00 57.07 52.81 1sqr s TYR 10 Cb -0.07 -3.74 -0.07 0.00 0.35 0.00 0.00 41.96 38.43 1sqr s TYR 10 CO -0.18 -1.00 0.58 0.50 -1.34 0.00 0.00 175.55 174.10 1sqr s ARG 11 N 1.21 4.11 -0.93 4.97 3.52 -1.14 -5.01 118.95 125.68 1sqr s ARG 11 Ca 0.07 0.65 0.00 0.00 -0.13 0.00 0.00 55.73 56.32 1sqr s ARG 11 Cb -0.25 -3.05 0.32 0.00 -1.56 0.00 0.00 34.95 30.41 1sqr s ARG 11 CO -0.00 0.53 1.59 2.89 -0.81 0.00 0.00 175.30 179.50 1sqr n ARG 12 N 1.16 4.86 -4.03 5.12 1.85 -1.26 -1.02 116.66 123.34 1sqr n ARG 12 Ca -0.07 -4.70 -0.40 0.00 -1.00 0.00 0.00 57.85 51.68 1sqr n ARG 12 Cb 0.51 -2.42 0.02 0.00 -1.05 0.00 0.00 32.46 29.52 1sqr n ARG 12 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1sqr n SER 13 N 0.04 -3.41 0.00 2.89 2.88 -1.26 -4.75 113.62 110.01 1sqr n SER 13 Ca 0.42 -1.09 0.00 0.00 -1.33 0.00 0.00 58.87 56.86 1sqr n SER 13 Cb 0.30 -1.32 0.00 0.00 -0.75 0.00 0.00 64.21 62.44 1sqr n SER 13 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1sqr n LYS 14 N -4.38 0.00 0.00 -1.46 4.76 -1.26 -4.09 118.16 111.73 1sqr n LYS 14 Ca -0.09 0.47 0.00 0.00 -2.87 0.00 0.00 58.31 55.81 1sqr n LYS 14 Cb 0.47 -0.93 0.00 0.00 -1.84 0.00 0.00 35.03 32.72 1sqr n LYS 14 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1sqr n GLU 15 N -0.96 0.00 -3.15 1.97 1.02 -1.26 -4.96 120.64 113.30 1sqr n GLU 15 Ca 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.18 1sqr n GLU 15 Cb 0.00 -0.40 -0.00 0.00 -0.02 0.00 0.00 31.44 31.01 1sqr n GLU 15 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1sqr s ASN 16 N -1.70 -1.27 0.00 1.62 3.04 -1.26 -5.03 114.94 110.35 1sqr s ASN 16 Ca 0.00 0.30 0.00 0.00 0.04 0.00 0.00 52.86 53.20 1sqr s ASN 16 Cb 0.00 1.87 0.00 0.00 -1.54 0.00 0.00 41.25 41.58 1sqr s ASN 16 CO 0.00 -0.23 0.00 1.67 -3.04 0.00 0.00 177.10 175.50 1sqr n GLN 17 N 5.37 0.41 0.12 0.43 -0.06 -1.26 -5.05 117.38 117.34 1sqr n GLN 17 Ca 0.04 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.04 1sqr n GLN 17 Cb 0.54 -0.90 0.00 0.00 -4.06 0.00 0.00 30.24 25.83 1sqr n GLN 17 CO 0.00 0.00 0.00 1.58 -0.20 0.00 0.00 177.06 178.44 1sqr n HIS 18 N -2.21 -3.54 0.00 3.69 -0.00 -1.26 -5.03 115.22 106.86 1sqr n HIS 18 Ca 0.00 0.82 0.00 0.00 0.46 0.00 0.00 57.72 59.00 1sqr n HIS 18 Cb 0.40 2.27 0.00 0.00 -0.12 0.00 0.00 29.99 32.54 1sqr n HIS 18 CO 0.00 0.00 0.00 0.27 0.46 0.00 0.00 176.34 177.07 1sqr n ASN 19 N -3.18 0.00 -3.48 0.26 2.04 -1.26 -5.09 115.26 104.55 1sqr n ASN 19 Ca 0.00 0.00 -0.00 0.00 -0.44 0.00 0.00 54.58 54.14 1sqr n ASN 19 Cb 0.00 0.00 -0.04 0.00 -2.53 0.00 0.00 39.78 37.21 1sqr n ASN 19 CO 0.00 0.00 0.00 0.20 -0.44 0.00 0.00 177.26 177.02 1sqr s ASN 20 N 0.00 -1.10 0.16 0.53 0.01 -1.26 -4.03 114.94 109.25 1sqr s ASN 20 Ca 0.00 1.25 0.05 0.00 -0.71 0.00 0.00 52.86 53.46 1sqr s ASN 20 Cb 0.00 2.14 -0.04 0.00 0.41 0.00 0.00 41.25 43.76 1sqr s ASN 20 CO 0.00 -0.24 0.11 -0.69 -1.51 0.00 0.00 177.10 174.77 1sqr s VAL 21 N 2.85 4.33 -0.15 1.60 1.01 -0.19 -4.70 120.40 125.15 1sqr s VAL 21 Ca 0.04 -1.15 -0.04 0.00 0.00 0.00 0.00 61.98 60.83 1sqr s VAL 21 Cb -0.13 -3.20 0.07 0.00 0.00 0.00 0.00 36.38 33.12 1sqr s VAL 21 CO -0.19 -0.10 0.22 -0.32 0.00 0.00 0.00 175.10 174.71 1sqr s MET 22 N -3.06 0.14 -0.17 2.72 1.75 -0.67 -2.89 119.30 117.12 1sqr s MET 22 Ca 0.30 0.48 -0.14 0.00 -1.25 0.00 0.00 55.69 55.08 1sqr s MET 22 Cb -0.10 -0.57 -0.05 0.00 2.84 0.00 0.00 34.83 36.95 1sqr s MET 22 CO 0.22 -0.44 0.30 0.42 -0.65 0.00 0.00 175.02 174.87 1sqr s ILE 23 N 2.35 5.30 0.16 10.11 1.01 -1.02 0.90 121.20 140.01 1sqr s ILE 23 Ca 0.04 0.56 0.03 0.00 0.00 0.00 0.00 60.65 61.28 1sqr s ILE 23 Cb -0.14 -3.64 -0.05 0.00 0.01 0.00 0.00 42.46 38.65 1sqr s ILE 23 CO -0.09 0.37 -0.04 -0.63 0.00 0.00 0.00 174.94 174.55 1sqr s ILE 24 N 0.58 0.87 -0.24 2.92 1.01 -0.06 -2.91 121.20 123.38 1sqr s ILE 24 Ca 0.17 -2.00 -0.04 0.00 0.00 0.00 0.00 60.65 58.78 1sqr s ILE 24 Cb -0.13 -2.00 0.09 0.00 0.01 0.00 0.00 42.46 40.43 1sqr s ILE 24 CO 0.04 -0.60 0.17 -0.75 0.00 0.00 0.00 174.94 173.81 1sqr s LYS 25 N -3.85 0.18 -0.88 2.79 2.20 -0.96 -1.56 119.74 117.66 1sqr s LYS 25 Ca 0.20 -0.16 -0.26 0.00 -0.36 0.00 0.00 55.97 55.40 1sqr s LYS 25 Cb 0.05 -1.27 -0.15 0.00 -1.51 0.00 0.00 37.83 34.95 1sqr s LYS 25 CO 0.02 -0.83 2.29 -1.25 -0.36 0.00 0.00 175.35 175.21 1sqr s PRO 26 N 2.21 1.61 0.00 4.03 0.05 -1.26 -2.31 135.00 139.33 1sqr s PRO 26 Ca 0.07 0.16 0.00 0.00 0.05 0.00 0.00 61.00 61.27 1sqr s PRO 26 Cb -0.16 -4.87 0.00 0.00 0.05 0.00 0.00 34.50 29.53 1sqr s PRO 26 CO -0.22 -4.60 0.00 -0.11 0.05 0.00 0.00 177.00 172.12 1sqr n LEU 27 N 18.40 0.00 0.00 -3.56 7.94 -1.23 -3.48 117.00 135.07 1sqr n LEU 27 Ca 0.45 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.35 1sqr n LEU 27 Cb 0.44 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.39 1sqr n LEU 27 CO 0.56 0.00 0.00 -0.90 -1.11 0.00 0.00 177.39 175.94 1sqr n ASP 28 N -0.12 0.00 -4.42 1.96 5.75 -1.26 -4.70 116.55 113.77 1sqr n ASP 28 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 54.79 54.40 1sqr n ASP 28 Cb 0.00 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.01 1sqr n ASP 28 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1sqr n VAL 29 N 0.00 -0.57 -0.69 2.12 0.31 -1.23 -4.70 118.33 113.58 1sqr n VAL 29 Ca 0.00 -0.18 -0.06 0.00 -0.01 0.00 0.00 64.34 64.08 1sqr n VAL 29 Cb 0.00 -0.88 -0.02 0.00 -0.91 0.00 0.00 33.84 32.03 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 -2.64 5.64 -3.65 4.52 2.04 -1.24 -3.93 115.26 115.99 1sqr n ASN 30 Ca -0.05 -2.60 -0.06 0.00 -0.44 0.00 0.00 54.58 51.43 1sqr n ASN 30 Cb 0.54 -1.16 -0.07 0.00 -2.53 0.00 0.00 39.78 36.57 1sqr n ASN 30 CO 0.00 0.00 0.00 -0.94 -0.44 0.00 0.00 177.26 175.88 1sqr s SER 31 N 1.52 -0.93 0.59 0.53 1.04 -0.89 -4.88 113.70 110.67 1sqr s SER 31 Ca 0.18 1.46 0.28 0.00 0.48 0.00 0.00 55.95 58.35 1sqr s SER 31 Cb 0.11 1.58 1.74 0.00 0.10 0.00 0.00 66.02 69.55 1sqr s SER 31 CO -0.01 -0.23 2.21 -0.09 0.98 0.00 0.00 173.24 176.10 1sqr h ARG 32 N 7.33 0.00 0.36 4.02 2.43 -1.84 0.26 114.38 126.94 1sqr h ARG 32 Ca -0.27 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.88 1sqr h ARG 32 Cb 1.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1sqr h ARG 32 CO 0.15 0.00 -0.17 1.49 -1.51 0.00 0.00 179.97 179.93 1sqr h GLU 33 N 0.00 -0.46 -0.41 0.20 4.81 -1.95 0.73 114.58 117.49 1sqr h GLU 33 Ca 0.02 0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.22 1sqr h GLU 33 Cb 0.13 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1sqr h GLU 33 CO -0.00 -0.22 0.00 0.93 -0.73 0.00 0.00 179.01 179.00 1sqr h GLU 34 N -0.64 0.73 0.94 1.92 4.39 -1.65 -2.07 114.58 118.20 1sqr h GLU 34 Ca -0.05 -0.23 -0.05 0.00 0.34 0.00 0.00 59.36 59.37 1sqr h GLU 34 Cb 0.46 -0.07 0.01 0.00 -0.10 0.00 0.00 28.75 29.05 1sqr h GLU 34 CO 0.08 0.81 -0.46 0.00 -1.16 0.00 0.00 179.01 178.28 1sqr h ALA 35 N 0.89 -1.34 -0.19 3.43 0.00 -0.47 -1.92 119.26 119.66 1sqr h ALA 35 Ca 0.12 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 54.81 1sqr h ALA 35 Cb 0.48 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1sqr h ALA 35 CO 0.02 -1.25 0.43 1.03 0.00 0.00 0.00 179.25 179.48 1sqr h SER 36 N -1.27 0.00 0.27 0.00 0.87 0.44 -0.88 113.55 112.98 1sqr h SER 36 Ca -0.13 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.42 1sqr h SER 36 Cb 0.98 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.94 1sqr h SER 36 CO 0.21 0.00 -0.13 0.50 -0.53 0.00 0.00 176.83 176.88 1sqr h LYS 37 N 0.00 -0.35 -0.33 2.24 1.63 -0.62 -3.24 116.57 115.91 1sqr h LYS 37 Ca 0.09 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.92 1sqr h LYS 37 Cb 0.94 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.65 1sqr h LYS 37 CO -0.00 -0.23 0.00 1.47 -3.45 0.00 0.00 179.45 177.24 1sqr n LEU 38 N -3.70 0.33 0.33 5.20 -0.00 -0.92 -4.15 117.00 114.09 1sqr n LEU 38 Ca -0.04 -0.16 0.10 0.00 -0.00 0.00 0.00 56.01 55.90 1sqr n LEU 38 Cb 0.14 -0.16 0.52 0.00 -0.00 0.00 0.00 43.42 43.92 1sqr n LEU 38 CO 0.11 0.08 1.07 -0.29 -0.00 0.00 0.00 177.39 178.36 1sqr h ILE 39 N 0.00 0.00 -0.36 1.47 2.10 -1.21 0.97 117.51 120.49 1sqr h ILE 39 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1sqr h ILE 39 Cb 0.16 0.42 0.00 0.00 -1.09 0.00 0.00 36.82 36.31 1sqr h ILE 39 CO 0.00 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 177.68 1sqr n GLY 40 N -1.32 3.59 3.68 8.18 0.00 -1.26 -4.45 105.19 113.61 1sqr n GLY 40 Ca -0.01 -0.92 -0.29 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.50 0.02 -0.17 1.61 1.81 0.34 -4.88 118.95 115.17 1sqr s ARG 41 Ca 0.43 0.25 0.01 0.00 -1.72 0.00 0.00 55.73 54.70 1sqr s ARG 41 Cb 0.33 -1.71 0.01 0.00 -0.45 0.00 0.00 34.95 33.13 1sqr s ARG 41 CO 0.12 -2.95 -0.18 -1.17 -0.68 0.00 0.00 175.30 170.44 1sqr s LEU 42 N -6.52 2.23 -0.44 2.53 2.96 -1.26 -3.58 118.68 114.60 1sqr s LEU 42 Ca 0.67 -0.60 -0.23 0.00 -0.22 0.00 0.00 54.13 53.75 1sqr s LEU 42 Cb -0.15 -1.51 0.02 0.00 0.50 0.00 0.00 46.19 45.06 1sqr s LEU 42 CO 0.56 0.02 0.80 0.68 -1.32 0.00 0.00 176.35 177.09 1sqr s VAL 43 N 1.16 4.64 -0.45 1.68 -7.23 -1.16 -4.60 120.40 114.44 1sqr s VAL 43 Ca 0.01 0.50 -0.10 0.00 -1.81 0.00 0.00 61.98 60.58 1sqr s VAL 43 Cb -0.14 -4.32 0.10 0.00 0.56 0.00 0.00 36.38 32.57 1sqr s VAL 43 CO -0.08 -0.70 0.32 -0.22 -0.31 0.00 0.00 175.10 174.10 1sqr s LEU 44 N 3.32 5.47 -0.58 1.32 2.96 -0.09 -1.81 118.68 129.27 1sqr s LEU 44 Ca 0.31 -1.65 -0.26 0.00 -0.22 0.00 0.00 54.13 52.31 1sqr s LEU 44 Cb -0.12 -2.03 0.04 0.00 0.50 0.00 0.00 46.19 44.58 1sqr s LEU 44 CO 0.23 -0.63 1.07 0.86 -1.32 0.00 0.00 176.35 176.56 1sqr s TRP 45 N 1.44 2.67 -1.02 5.38 -0.00 -1.04 -3.11 118.94 123.26 1sqr s TRP 45 Ca 0.04 0.13 -0.20 0.00 -0.00 0.00 0.00 56.10 56.07 1sqr s TRP 45 Cb -0.25 -4.31 0.09 0.00 -0.00 0.00 0.00 33.47 29.00 1sqr s TRP 45 CO 0.02 -1.52 1.34 0.21 -0.00 0.00 0.00 176.95 177.00 1sqr s LYS 46 N 4.51 3.66 1.18 5.86 2.20 -1.26 -2.60 119.74 133.30 1sqr s LYS 46 Ca 0.35 -1.56 -0.15 0.00 -0.36 0.00 0.00 55.97 54.26 1sqr s LYS 46 Cb -0.10 -5.18 0.28 0.00 -1.51 0.00 0.00 37.83 31.32 1sqr s LYS 46 CO 0.21 -2.01 1.03 -1.54 -0.36 0.00 0.00 175.35 172.68 1sqr s SER 47 N 4.22 0.93 -0.08 1.43 1.04 -1.20 -4.97 113.70 115.08 1sqr s SER 47 Ca 0.41 1.23 -0.26 0.00 0.48 0.00 0.00 55.95 57.81 1sqr s SER 47 Cb -0.02 -1.89 -0.25 0.00 0.10 0.00 0.00 66.02 63.97 1sqr s SER 47 CO -0.08 -4.19 0.95 1.55 0.98 0.00 0.00 173.24 172.46 1sqr h PRO 48 N -2.62 0.11 0.00 4.02 0.14 -1.95 -3.23 132.00 128.47 1sqr h PRO 48 Ca -0.57 -0.13 0.00 0.00 0.14 0.00 0.00 66.00 65.44 1sqr h PRO 48 Cb 1.33 0.04 0.00 0.00 0.14 0.00 0.00 31.00 32.52 1sqr h PRO 48 CO 0.48 0.94 0.00 -1.13 0.14 0.00 0.00 178.00 178.42 1sqr n SER 49 N -4.54 0.00 0.00 1.44 3.41 -1.26 -4.75 113.62 107.92 1sqr n SER 49 Ca -0.10 -0.73 0.00 0.00 -0.26 0.00 0.00 58.87 57.78 1sqr n SER 49 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1sqr n SER 49 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sqr n GLY 50 N -0.03 0.74 3.56 5.00 0.00 -1.22 -4.98 105.19 108.26 1sqr n GLY 50 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.38 2.82 -0.41 1.61 2.36 -1.26 -4.84 119.74 119.63 1sqr s LYS 51 Ca 0.00 -0.14 -0.27 0.00 -2.55 0.00 0.00 55.97 53.01 1sqr s LYS 51 Cb 0.00 -4.80 0.02 0.00 -1.05 0.00 0.00 37.83 32.00 1sqr s LYS 51 CO 0.00 -2.85 0.98 0.42 1.55 0.00 0.00 175.35 175.46 1sqr s ILE 52 N 8.44 4.47 -0.22 5.43 -1.09 -1.26 -3.22 121.20 133.74 1sqr s ILE 52 Ca 0.61 1.14 -0.12 0.00 -2.23 0.00 0.00 60.65 60.05 1sqr s ILE 52 Cb -0.08 -4.42 -0.05 0.00 -1.58 0.00 0.00 42.46 36.33 1sqr s ILE 52 CO 0.06 -0.71 0.23 -0.76 -1.23 0.00 0.00 174.94 172.54 1sqr s LEU 53 N 3.77 4.15 -0.50 2.97 1.43 -1.07 -4.99 118.68 124.44 1sqr s LEU 53 Ca 0.41 0.27 -0.18 0.00 -1.03 0.00 0.00 54.13 53.60 1sqr s LEU 53 Cb -0.10 -2.24 0.07 0.00 0.03 0.00 0.00 46.19 43.95 1sqr s LEU 53 CO 0.23 0.04 0.55 -0.54 0.23 0.00 0.00 176.35 176.86 1sqr s LYS 54 N 0.98 3.06 0.39 1.70 1.02 -1.26 -2.48 119.74 123.14 1sqr s LYS 54 Ca 0.12 -1.11 0.08 0.00 0.02 0.00 0.00 55.97 55.07 1sqr s LYS 54 Cb -0.13 -4.13 -0.01 0.00 -0.52 0.00 0.00 37.83 33.03 1sqr s LYS 54 CO 0.05 -1.19 0.43 0.20 -0.92 0.00 0.00 175.35 173.92 1sqr s GLY 55 N 2.77 1.91 -0.19 -3.33 0.00 -0.75 -4.69 107.32 103.04 1sqr s GLY 55 Ca 0.11 -1.70 -0.10 0.00 0.00 0.00 0.00 44.72 43.03 1sqr s GLY 55 CO 0.09 -1.55 0.45 1.25 0.00 0.00 0.00 173.10 173.34 1sqr s LYS 56 N -4.18 0.44 0.18 2.90 2.20 -1.26 -2.96 119.74 117.06 1sqr s LYS 56 Ca 0.48 0.85 -0.30 0.00 -0.36 0.00 0.00 55.97 56.64 1sqr s LYS 56 Cb -0.07 0.00 -0.08 0.00 -1.51 0.00 0.00 37.83 36.17 1sqr s LYS 56 CO 0.30 -0.16 1.25 0.42 -0.36 0.00 0.00 175.35 176.80 1sqr s ILE 57 N 1.42 3.45 -0.12 5.43 1.01 -1.23 -3.88 121.20 127.27 1sqr s ILE 57 Ca -0.09 1.18 0.13 0.00 0.00 0.00 0.00 60.65 61.87 1sqr s ILE 57 Cb -0.08 -3.76 -0.18 0.00 0.01 0.00 0.00 42.46 38.45 1sqr s ILE 57 CO -0.14 0.17 0.08 1.33 0.00 0.00 0.00 174.94 176.39 1sqr n VAL 58 N 2.76 0.85 -3.52 2.92 0.24 -1.10 -4.70 118.33 115.77 1sqr n VAL 58 Ca 0.06 -0.57 -0.12 0.00 -2.04 0.00 0.00 64.34 61.67 1sqr n VAL 58 Cb 0.44 -0.53 -0.04 0.00 -1.47 0.00 0.00 33.84 32.24 1sqr n VAL 58 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1sqr s ARG 59 N -2.43 0.87 -0.33 7.34 1.70 -1.26 -5.04 118.95 119.82 1sqr s ARG 59 Ca -0.07 -0.05 -0.14 0.00 -0.47 0.00 0.00 55.73 55.00 1sqr s ARG 59 Cb 0.05 0.41 -0.02 0.00 -0.57 0.00 0.00 34.95 34.82 1sqr s ARG 59 CO 0.58 -0.33 0.33 0.54 -1.08 0.00 0.00 175.30 175.34 1sqr s VAL 60 N -2.12 5.20 -0.12 4.99 0.11 -1.26 -1.25 120.40 125.95 1sqr s VAL 60 Ca -0.02 0.09 -0.04 0.00 -2.93 0.00 0.00 61.98 59.09 1sqr s VAL 60 Cb -0.01 -3.76 0.06 0.00 -1.53 0.00 0.00 36.38 31.14 1sqr s VAL 60 CO -0.02 -0.01 0.13 -2.28 -3.33 0.00 0.00 175.10 169.60 1sqr s HIS 61 N 1.95 -0.04 0.00 1.54 5.04 -1.14 -4.86 115.29 117.78 1sqr s HIS 61 Ca 0.11 0.19 0.00 0.00 -1.54 0.00 0.00 55.06 53.82 1sqr s HIS 61 Cb -0.17 -0.45 0.00 0.00 0.04 0.00 0.00 32.58 32.00 1sqr s HIS 61 CO 0.11 -0.39 0.00 0.41 -2.34 0.00 0.00 174.74 172.53 1sqr n GLY 62 N 5.31 0.46 1.36 1.59 0.00 -1.26 -4.27 105.19 108.38 1sqr n GLY 62 Ca -0.05 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.37 0.00 2.61 -2.24 -1.26 -4.57 114.28 107.45 1sqr n THR 63 Ca 0.00 0.94 0.00 0.00 -2.27 0.00 0.00 64.05 62.72 1sqr n THR 63 Cb 0.00 -1.48 0.00 0.00 -2.10 0.00 0.00 70.33 66.75 1sqr n THR 63 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1sqr n LYS 64 N -3.55 0.00 0.00 -0.78 4.81 -1.26 -4.47 118.16 112.91 1sqr n LYS 64 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.39 1sqr n LYS 64 Cb 0.51 -2.24 0.00 0.00 0.02 0.00 0.00 35.03 33.31 1sqr n LYS 64 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1sqr n GLY 65 N -1.30 3.62 0.00 3.14 0.00 -1.25 -2.10 105.19 107.30 1sqr n GLY 65 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1sqr n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqr n ALA 66 N 0.00 0.00 -3.55 4.61 0.00 -1.26 -4.82 120.51 115.49 1sqr n ALA 66 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1sqr n ALA 66 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1sqr n ALA 66 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1sqr s VAL 67 N -1.76 -0.00 0.35 0.00 -7.23 -0.60 -2.89 120.40 108.27 1sqr s VAL 67 Ca 0.00 0.01 -0.08 0.00 -1.81 0.00 0.00 61.98 60.10 1sqr s VAL 67 Cb 0.00 -0.83 -0.06 0.00 0.56 0.00 0.00 36.38 36.05 1sqr s VAL 67 CO 0.00 0.00 0.67 -0.60 -0.31 0.00 0.00 175.10 174.86 1sqr s ARG 68 N 0.66 3.72 0.09 4.82 3.52 -0.38 -0.88 118.95 130.50 1sqr s ARG 68 Ca -0.03 0.26 -0.07 0.00 -0.13 0.00 0.00 55.73 55.77 1sqr s ARG 68 Cb -0.05 -2.51 -0.01 0.00 -1.56 0.00 0.00 34.95 30.82 1sqr s ARG 68 CO -0.04 0.09 0.15 0.00 -0.81 0.00 0.00 175.30 174.68 1sqr s ALA 69 N -2.22 0.04 -0.15 6.12 0.00 0.26 -2.72 121.76 123.08 1sqr s ALA 69 Ca 0.48 -0.84 -0.04 0.00 0.00 0.00 0.00 51.96 51.56 1sqr s ALA 69 Cb -0.10 0.51 0.08 0.00 0.00 0.00 0.00 23.12 23.61 1sqr s ALA 69 CO 0.30 -0.50 0.25 1.03 0.00 0.00 0.00 175.76 176.85 1sqr s ARG 70 N -3.90 0.16 -0.10 0.00 0.52 -1.25 -1.67 118.95 112.71 1sqr s ARG 70 Ca 0.08 0.58 -0.13 0.00 -0.52 0.00 0.00 55.73 55.74 1sqr s ARG 70 Cb 0.06 -0.39 -0.05 0.00 0.52 0.00 0.00 34.95 35.09 1sqr s ARG 70 CO -0.08 -0.41 0.30 -0.06 0.02 0.00 0.00 175.30 175.07 1sqr s PHE 71 N 2.39 3.58 -1.84 -0.53 0.40 -1.26 -4.36 117.98 116.36 1sqr s PHE 71 Ca 0.04 0.72 0.02 0.00 -0.60 0.00 0.00 56.93 57.11 1sqr s PHE 71 Cb -0.13 -2.25 0.10 0.00 0.51 0.00 0.00 43.02 41.25 1sqr s PHE 71 CO -0.10 0.48 0.67 0.39 0.70 0.00 0.00 175.22 177.36 1sqr n GLU 72 N 2.66 0.04 0.11 0.44 1.02 -1.26 -4.21 120.64 119.45 1sqr n GLU 72 Ca -0.14 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 1sqr n GLU 72 Cb 0.53 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 1sqr n GLU 72 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1sqr n LYS 73 N -1.08 0.00 0.00 3.49 0.00 -1.26 -5.19 118.16 114.12 1sqr n LYS 73 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.32 1sqr n LYS 73 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.04 1sqr n LYS 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1sqr n GLY 74 N -0.94 0.83 3.97 3.14 0.00 -1.26 -5.11 105.19 105.81 1sqr n GLY 74 Ca 0.00 -2.02 -0.22 0.00 0.00 0.00 0.00 46.02 43.78 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 0.00 3.17 -0.31 0.99 1.43 -1.26 -5.03 118.68 117.67 1sqr s LEU 75 Ca 0.00 -0.00 -0.29 0.00 -1.03 0.00 0.00 54.13 52.81 1sqr s LEU 75 Cb 0.00 -2.78 0.00 0.00 0.03 0.00 0.00 46.19 43.44 1sqr s LEU 75 CO 0.00 -1.30 1.34 -2.84 0.23 0.00 0.00 176.35 173.77 1sqr s PRO 76 N -4.88 3.86 0.00 1.29 0.02 -1.26 -4.28 135.00 129.75 1sqr s PRO 76 Ca 0.59 1.23 0.00 0.00 0.02 0.00 0.00 61.00 62.84 1sqr s PRO 76 Cb -0.10 -3.91 0.00 0.00 0.02 0.00 0.00 34.50 30.51 1sqr s PRO 76 CO 0.40 -1.19 0.00 0.41 -0.33 0.00 0.00 177.00 176.29 1sqr n GLY 77 N 4.44 1.46 1.11 0.52 0.00 -1.26 -4.04 105.19 107.41 1sqr n GLY 77 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1sqr n GLY 77 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1sqr n GLN 78 N 0.00 0.00 -1.84 1.61 1.13 -1.26 -5.02 117.38 112.00 1sqr n GLN 78 Ca 0.00 0.00 -0.17 0.00 -1.94 0.00 0.00 57.00 54.89 1sqr n GLN 78 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.31 1sqr n GLN 78 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1sqr n ALA 79 N -2.14 -0.35 -1.60 -1.58 0.00 -1.26 -4.64 120.51 108.94 1sqr n ALA 79 Ca 0.00 0.21 -0.39 0.00 0.00 0.00 0.00 53.44 53.26 1sqr n ALA 79 Cb 0.00 -1.79 -0.03 0.00 0.00 0.00 0.00 19.45 17.63 1sqr n ALA 79 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1sqr s LEU 80 N -4.22 3.42 0.00 0.00 0.20 -1.26 -0.67 118.68 116.15 1sqr s LEU 80 Ca 0.00 1.37 0.00 0.00 0.69 0.00 0.00 54.13 56.19 1sqr s LEU 80 Cb 0.00 -2.91 0.00 0.00 -0.43 0.00 0.00 46.19 42.85 1sqr s LEU 80 CO 0.00 -2.50 0.00 0.61 -0.29 0.00 0.00 176.35 174.17 1sqr n GLY 81 N 5.89 1.05 3.77 7.98 0.00 -1.26 -5.09 105.19 117.53 1sqr n GLY 81 Ca 0.33 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.75 6.83 -0.26 1.61 -1.08 0.16 -4.72 116.67 117.46 1sqr s ASP 82 Ca 0.00 2.16 -0.29 0.00 -0.52 0.00 0.00 52.55 53.90 1sqr s ASP 82 Cb 0.00 -2.60 -0.02 0.00 -1.46 0.00 0.00 42.92 38.84 1sqr s ASP 82 CO 0.00 -0.45 1.63 -0.31 0.52 0.00 0.00 175.17 176.56 1sqr s TYR 83 N -1.48 2.08 0.59 -5.34 1.51 -1.26 -4.13 117.35 109.32 1sqr s TYR 83 Ca 0.54 0.58 -0.01 0.00 -1.01 0.00 0.00 57.07 57.17 1sqr s TYR 83 Cb -0.26 -4.04 0.04 0.00 -0.11 0.00 0.00 41.96 37.59 1sqr s TYR 83 CO 0.33 -2.84 0.84 0.14 -1.11 0.00 0.00 175.55 172.92 1sqr s VAL 84 N 5.55 2.62 0.06 0.71 -7.23 -0.74 -4.92 120.40 116.45 1sqr s VAL 84 Ca 0.72 -0.53 -0.13 0.00 -1.81 0.00 0.00 61.98 60.23 1sqr s VAL 84 Cb -0.23 -3.03 0.02 0.00 0.56 0.00 0.00 36.38 33.70 1sqr s VAL 84 CO 0.30 -0.02 0.30 -1.61 -0.31 0.00 0.00 175.10 173.76 1sqr s GLU 85 N -4.90 0.85 -0.97 4.82 2.02 -1.26 -0.61 118.70 118.65 1sqr s GLU 85 Ca 0.58 -0.60 -0.02 0.00 0.02 0.00 0.00 54.97 54.94 1sqr s GLU 85 Cb -0.10 0.37 0.28 0.00 0.10 0.00 0.00 34.13 34.77 1sqr s GLU 85 CO 0.40 -0.28 1.18 -0.89 0.02 0.00 0.00 175.26 175.70 1sqr n ILE 86 N 0.37 4.29 1.31 -1.63 5.41 -1.04 -0.91 119.36 127.15 1sqr n ILE 86 Ca -0.18 -5.61 0.13 0.00 1.00 0.00 0.00 62.75 58.10 1sqr n ILE 86 Cb 0.60 -2.19 0.36 0.00 -0.71 0.00 0.00 39.64 37.71 1sqr n ILE 86 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07