#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 2.47 0.06 3.17 0.52 -1.26 -4.98 118.95 118.94 1sqr s ARG 2 Ca 0.00 -1.62 -0.06 0.00 -0.52 0.00 0.00 55.73 53.53 1sqr s ARG 2 Cb 0.00 -2.40 -0.01 0.00 0.52 0.00 0.00 34.95 33.05 1sqr s ARG 2 CO 0.00 -0.39 0.11 0.42 0.02 0.00 0.00 175.30 175.46 1sqr s ILE 3 N -2.55 0.16 -0.24 1.52 1.01 -1.26 -5.00 121.20 114.84 1sqr s ILE 3 Ca 0.48 -1.31 -0.03 0.00 0.00 0.00 0.00 60.65 59.79 1sqr s ILE 3 Cb -0.04 -1.26 0.12 0.00 0.01 0.00 0.00 42.46 41.29 1sqr s ILE 3 CO 0.29 -0.73 0.29 -1.59 0.00 0.00 0.00 174.94 173.20 1sqr s LYS 4 N -3.51 0.27 0.50 2.79 -2.85 -1.26 -2.51 119.74 113.17 1sqr s LYS 4 Ca 0.03 0.25 0.03 0.00 -1.00 0.00 0.00 55.97 55.28 1sqr s LYS 4 Cb 0.04 -0.84 0.09 0.00 -2.06 0.00 0.00 37.83 35.06 1sqr s LYS 4 CO -0.09 -0.73 0.69 0.41 0.10 0.00 0.00 175.35 175.73 1sqr n GLY 5 N 5.33 1.25 3.05 0.59 0.00 0.85 -3.81 105.19 112.45 1sqr n GLY 5 Ca -0.04 -2.10 -0.13 0.00 0.00 0.00 0.00 46.02 43.75 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 -2.03 -0.02 0.35 1.61 1.01 -0.45 -0.84 120.40 120.03 1sqr s VAL 6 Ca 0.48 0.07 -0.27 0.00 0.00 0.00 0.00 61.98 62.27 1sqr s VAL 6 Cb -0.03 -0.30 -0.09 0.00 0.00 0.00 0.00 36.38 35.96 1sqr s VAL 6 CO 0.32 0.03 1.12 -0.69 0.00 0.00 0.00 175.10 175.87 1sqr s VAL 7 N 0.59 3.40 -0.11 2.92 1.01 -1.26 -1.54 120.40 125.42 1sqr s VAL 7 Ca -0.04 1.25 0.06 0.00 0.00 0.00 0.00 61.98 63.25 1sqr s VAL 7 Cb -0.05 -3.74 -0.10 0.00 0.00 0.00 0.00 36.38 32.49 1sqr s VAL 7 CO -0.03 0.18 -0.02 0.18 0.00 0.00 0.00 175.10 175.41 1sqr n LEU 8 N 0.52 1.11 -3.64 3.92 4.77 -1.13 -4.66 117.00 117.89 1sqr n LEU 8 Ca 0.02 -0.02 -0.09 0.00 -0.03 0.00 0.00 56.01 55.88 1sqr n LEU 8 Cb 0.46 -0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.47 1sqr n LEU 8 CO 0.51 0.41 0.43 -0.44 -1.33 0.00 0.00 177.39 176.97 1sqr s SER 9 N -4.56 -0.80 -0.46 -1.43 0.01 -1.26 -5.04 113.70 100.16 1sqr s SER 9 Ca -0.09 1.39 -0.10 0.00 1.31 0.00 0.00 55.95 58.47 1sqr s SER 9 Cb 0.03 1.37 0.11 0.00 0.21 0.00 0.00 66.02 67.74 1sqr s SER 9 CO 0.35 -0.23 0.33 -0.47 0.41 0.00 0.00 173.24 173.64 1sqr s TYR 10 N 1.03 3.40 -0.06 2.43 5.04 -1.26 -1.58 117.35 126.35 1sqr s TYR 10 Ca -0.05 -1.76 -0.18 0.00 -2.44 0.00 0.00 57.07 52.63 1sqr s TYR 10 Cb -0.05 -3.39 -0.05 0.00 0.35 0.00 0.00 41.96 38.82 1sqr s TYR 10 CO -0.11 -0.96 0.50 1.03 -1.34 0.00 0.00 175.55 174.68 1sqr s ARG 11 N 1.39 4.26 -1.01 4.97 3.00 0.21 -5.00 118.95 126.77 1sqr s ARG 11 Ca 0.05 0.54 -0.01 0.00 0.00 0.00 0.00 55.73 56.30 1sqr s ARG 11 Cb -0.26 -3.37 0.32 0.00 0.00 0.00 0.00 34.95 31.64 1sqr s ARG 11 CO 0.00 0.32 1.69 2.89 0.00 0.00 0.00 175.30 180.20 1sqr n ARG 12 N 3.05 5.09 -1.47 3.54 1.85 -1.26 -0.62 116.66 126.85 1sqr n ARG 12 Ca -0.08 -4.66 0.18 0.00 -1.00 0.00 0.00 57.85 52.29 1sqr n ARG 12 Cb 0.52 -2.46 -0.08 0.00 -1.05 0.00 0.00 32.46 29.38 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 0.24 -8.32 0.00 2.89 2.88 -1.24 -4.84 113.62 105.23 1sqr n SER 13 Ca 0.41 1.29 0.00 0.00 -1.33 0.00 0.00 58.87 59.24 1sqr n SER 13 Cb 0.28 -4.93 0.00 0.00 -0.75 0.00 0.00 64.21 58.82 1sqr n SER 13 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1sqr n LYS 14 N -4.36 0.00 -1.89 -1.46 4.81 -1.26 -4.92 118.16 109.08 1sqr n LYS 14 Ca -0.07 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.07 1sqr n LYS 14 Cb 0.69 -0.01 0.04 0.00 0.02 0.00 0.00 35.03 35.77 1sqr n LYS 14 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1sqr n GLU 15 N -2.53 3.18 -3.27 1.64 1.02 -1.26 -4.97 120.64 114.45 1sqr n GLU 15 Ca 0.00 -3.88 -0.26 0.00 -0.02 0.00 0.00 57.16 53.01 1sqr n GLU 15 Cb 0.00 -2.28 0.03 0.00 -0.02 0.00 0.00 31.44 29.17 1sqr n GLU 15 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1sqr n ASN 16 N -0.70 -6.36 -0.06 1.62 5.15 -1.26 -4.94 115.26 108.71 1sqr n ASN 16 Ca 0.50 0.15 -0.04 0.00 -0.60 0.00 0.00 54.58 54.59 1sqr n ASN 16 Cb 0.71 -2.79 -0.13 0.00 -0.53 0.00 0.00 39.78 37.04 1sqr n ASN 16 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 1sqr n GLN 17 N -0.03 1.22 0.03 1.20 -0.06 -1.26 -4.98 117.38 113.50 1sqr n GLN 17 Ca -0.02 -0.04 0.00 0.00 -2.00 0.00 0.00 57.00 54.94 1sqr n GLN 17 Cb 0.58 -1.41 0.00 0.00 -4.06 0.00 0.00 30.24 25.35 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 -2.48 -1.68 -2.30 3.69 -0.00 -1.26 -5.16 115.22 106.02 1sqr n HIS 18 Ca -0.21 0.18 0.00 0.00 0.46 0.00 0.00 57.72 58.15 1sqr n HIS 18 Cb 0.90 0.67 0.00 0.00 -0.12 0.00 0.00 29.99 31.44 1sqr n HIS 18 CO 0.00 0.00 0.00 -1.71 0.46 0.00 0.00 176.34 175.09 1sqr n ASN 19 N -2.57 0.00 -4.69 0.26 5.15 -1.26 -5.13 115.26 107.02 1sqr n ASN 19 Ca 0.00 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.56 1sqr n ASN 19 Cb 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.22 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 2.00 7.07 0.13 1.20 0.01 -1.26 -3.66 114.94 120.43 1sqr s ASN 20 Ca 0.00 1.85 0.04 0.00 -0.71 0.00 0.00 52.86 54.04 1sqr s ASN 20 Cb 0.00 -2.56 -0.04 0.00 0.41 0.00 0.00 41.25 39.06 1sqr s ASN 20 CO 0.00 -0.54 0.11 -0.69 -1.51 0.00 0.00 177.10 174.47 1sqr s VAL 21 N 1.91 4.50 -0.05 1.60 1.01 0.21 -4.16 120.40 125.41 1sqr s VAL 21 Ca 0.56 -0.97 -0.08 0.00 0.00 0.00 0.00 61.98 61.50 1sqr s VAL 21 Cb -0.26 -3.25 0.02 0.00 0.00 0.00 0.00 36.38 32.89 1sqr s VAL 21 CO 0.24 -0.02 0.20 0.00 0.00 0.00 0.00 175.10 175.52 1sqr s MET 22 N -2.84 0.33 0.07 2.72 0.23 -0.94 -0.62 119.30 118.26 1sqr s MET 22 Ca 0.30 0.09 -0.13 0.00 -1.03 0.00 0.00 55.69 54.93 1sqr s MET 22 Cb -0.11 0.15 -0.06 0.00 -1.53 0.00 0.00 34.83 33.28 1sqr s MET 22 CO 0.23 -0.06 0.45 0.42 -2.03 0.00 0.00 175.02 174.03 1sqr s ILE 23 N -0.34 4.99 0.11 3.16 -1.09 -0.61 -2.01 121.20 125.41 1sqr s ILE 23 Ca -0.04 0.71 0.04 0.00 -2.23 0.00 0.00 60.65 59.12 1sqr s ILE 23 Cb -0.03 -3.70 -0.04 0.00 -1.58 0.00 0.00 42.46 37.11 1sqr s ILE 23 CO 0.01 0.39 -0.10 -0.63 -1.23 0.00 0.00 174.94 173.38 1sqr s ILE 24 N -1.30 0.94 -0.29 2.92 1.01 -0.61 -2.83 121.20 121.05 1sqr s ILE 24 Ca 0.31 -1.76 -0.04 0.00 0.00 0.00 0.00 60.65 59.16 1sqr s ILE 24 Cb -0.15 -1.49 0.10 0.00 0.01 0.00 0.00 42.46 40.93 1sqr s ILE 24 CO 0.17 -0.64 0.14 -0.75 0.00 0.00 0.00 174.94 173.86 1sqr s LYS 25 N -3.12 0.20 -0.69 2.79 2.20 -0.59 -1.19 119.74 119.34 1sqr s LYS 25 Ca 0.08 -0.53 -0.26 0.00 -0.36 0.00 0.00 55.97 54.91 1sqr s LYS 25 Cb -0.01 -1.14 -0.23 0.00 -1.51 0.00 0.00 37.83 34.95 1sqr s LYS 25 CO -0.01 -1.02 1.87 -2.30 -0.36 0.00 0.00 175.35 173.53 1sqr n PRO 26 N 5.23 0.80 0.00 4.03 -0.02 -1.26 -1.35 135.00 142.43 1sqr n PRO 26 Ca -0.05 -1.70 0.00 0.00 -2.02 0.00 0.00 63.50 59.72 1sqr n PRO 26 Cb 0.42 -3.17 0.00 0.00 -0.02 0.00 0.00 33.50 30.73 1sqr n PRO 26 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1sqr n LEU 27 N 11.90 0.00 0.00 2.45 7.94 -1.25 -2.95 117.00 135.09 1sqr n LEU 27 Ca 0.46 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.36 1sqr n LEU 27 Cb 0.43 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.38 1sqr n LEU 27 CO 0.92 0.00 0.00 -0.90 -1.11 0.00 0.00 177.39 176.30 1sqr n ASP 28 N 0.24 0.00 -3.86 1.96 5.75 -1.26 -4.98 116.55 114.39 1sqr n ASP 28 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 54.79 54.42 1sqr n ASP 28 Cb 0.00 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.11 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 -0.42 -4.13 -1.47 2.12 0.31 -1.15 -4.75 118.33 108.83 1sqr n VAL 29 Ca 0.00 -0.59 -0.29 0.00 -0.01 0.00 0.00 64.34 63.45 1sqr n VAL 29 Cb 0.00 -3.24 -0.00 0.00 -0.91 0.00 0.00 33.84 29.68 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 -2.38 6.85 -3.61 4.52 0.23 -1.26 -3.11 115.26 116.51 1sqr n ASN 30 Ca -0.14 -3.39 -0.04 0.00 -0.53 0.00 0.00 54.58 50.48 1sqr n ASN 30 Cb 0.59 -1.14 -0.06 0.00 -2.08 0.00 0.00 39.78 37.09 1sqr n ASN 30 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 1sqr s SER 31 N -0.24 -0.77 0.51 0.53 0.01 -1.25 -4.91 113.70 107.58 1sqr s SER 31 Ca 0.53 1.26 0.28 0.00 1.31 0.00 0.00 55.95 59.34 1sqr s SER 31 Cb 0.39 1.89 1.39 0.00 0.21 0.00 0.00 66.02 69.91 1sqr s SER 31 CO -0.21 -0.23 1.90 -0.09 0.41 0.00 0.00 173.24 175.02 1sqr h ARG 32 N 8.07 0.07 0.59 12.44 2.43 -1.84 0.32 114.38 136.47 1sqr h ARG 32 Ca -0.17 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.96 1sqr h ARG 32 Cb 1.11 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 30.65 1sqr h ARG 32 CO 0.12 0.05 -0.29 0.93 -1.51 0.00 0.00 179.97 179.28 1sqr h GLU 33 N 0.08 -0.77 -0.51 0.20 5.08 -1.95 0.64 114.58 117.35 1sqr h GLU 33 Ca 0.40 0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.89 1sqr h GLU 33 Cb 1.48 0.17 -0.06 0.00 0.50 0.00 0.00 28.75 30.84 1sqr h GLU 33 CO -0.04 -0.51 0.17 0.93 -1.00 0.00 0.00 179.01 178.56 1sqr h GLU 34 N -0.90 0.33 0.04 2.33 4.39 -1.64 1.08 114.58 120.21 1sqr h GLU 34 Ca -0.08 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 1sqr h GLU 34 Cb 0.61 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1sqr h GLU 34 CO 0.13 0.22 -0.03 0.00 -1.16 0.00 0.00 179.01 178.18 1sqr h ALA 35 N 1.35 -0.91 -0.98 3.43 0.00 -0.39 0.16 119.26 121.92 1sqr h ALA 35 Ca 0.25 -0.01 0.22 0.00 0.00 0.00 0.00 54.91 55.37 1sqr h ALA 35 Cb 0.28 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.12 1sqr h ALA 35 CO -0.26 -0.91 0.63 0.77 0.00 0.00 0.00 179.25 179.47 1sqr h SER 36 N -0.06 0.52 0.84 0.00 0.02 0.41 0.80 113.55 116.08 1sqr h SER 36 Ca -0.01 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1sqr h SER 36 Cb 0.05 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.57 1sqr h SER 36 CO 0.01 0.17 0.00 1.17 -1.14 0.00 0.00 176.83 177.03 1sqr n LYS 37 N -4.61 0.21 0.02 3.45 4.81 0.37 -2.19 118.16 120.22 1sqr n LYS 37 Ca 0.22 0.40 0.13 0.00 -0.87 0.00 0.00 58.31 58.19 1sqr n LYS 37 Cb 0.73 -1.87 0.34 0.00 0.02 0.00 0.00 35.03 34.24 1sqr n LYS 37 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1sqr n LEU 38 N -2.26 0.43 -4.68 3.14 0.00 0.28 -4.88 117.00 109.04 1sqr n LEU 38 Ca 0.03 0.21 -0.48 0.00 0.00 0.00 0.00 56.01 55.77 1sqr n LEU 38 Cb 0.26 -0.30 -0.05 0.00 0.00 0.00 0.00 43.42 43.33 1sqr n LEU 38 CO 0.21 0.04 1.45 -0.38 0.00 0.00 0.00 177.39 178.71 1sqr n ILE 39 N -1.67 0.50 0.00 1.96 5.41 -0.93 -1.03 119.36 123.59 1sqr n ILE 39 Ca 0.05 -0.09 0.00 0.00 1.00 0.00 0.00 62.75 63.72 1sqr n ILE 39 Cb 0.36 -1.83 0.00 0.00 -0.71 0.00 0.00 39.64 37.47 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 4.26 0.47 3.77 7.39 0.00 -1.26 -5.03 105.19 114.78 1sqr n GLY 40 Ca 0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 1sqr n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1sqr s ARG 41 N -0.81 4.24 -0.44 1.61 6.06 -0.20 -4.85 118.95 124.55 1sqr s ARG 41 Ca 0.00 1.92 -0.28 0.00 -2.50 0.00 0.00 55.73 54.87 1sqr s ARG 41 Cb 0.00 -2.87 0.03 0.00 0.06 0.00 0.00 34.95 32.17 1sqr s ARG 41 CO 0.00 -0.19 1.06 -1.17 -2.50 0.00 0.00 175.30 172.51 1sqr s LEU 42 N -2.13 3.79 -0.50 -0.88 2.96 -1.26 -4.17 118.68 116.48 1sqr s LEU 42 Ca 0.53 0.48 -0.23 0.00 -0.22 0.00 0.00 54.13 54.69 1sqr s LEU 42 Cb -0.33 -3.44 0.04 0.00 0.50 0.00 0.00 46.19 42.95 1sqr s LEU 42 CO 0.42 -1.12 0.81 0.68 -1.32 0.00 0.00 176.35 175.82 1sqr s VAL 43 N 4.11 4.59 -0.70 1.68 -7.23 -1.19 -4.42 120.40 117.25 1sqr s VAL 43 Ca 0.44 0.18 -0.12 0.00 -1.81 0.00 0.00 61.98 60.67 1sqr s VAL 43 Cb -0.09 -4.40 0.18 0.00 0.56 0.00 0.00 36.38 32.63 1sqr s VAL 43 CO 0.27 -0.89 0.62 -0.76 -0.31 0.00 0.00 175.10 174.03 1sqr s LEU 44 N 3.42 6.28 -0.13 1.32 1.02 0.12 -2.22 118.68 128.48 1sqr s LEU 44 Ca 0.27 -2.48 -0.18 0.00 0.02 0.00 0.00 54.13 51.76 1sqr s LEU 44 Cb -0.14 -2.12 -0.04 0.00 0.02 0.00 0.00 46.19 43.91 1sqr s LEU 44 CO 0.19 -0.60 0.48 0.86 0.02 0.00 0.00 176.35 177.30 1sqr s TRP 45 N 0.50 3.49 -0.95 0.29 -0.00 -1.00 -3.10 118.94 118.18 1sqr s TRP 45 Ca 0.14 0.87 -0.23 0.00 -0.00 0.00 0.00 56.10 56.88 1sqr s TRP 45 Cb -0.17 -2.57 0.06 0.00 -0.00 0.00 0.00 33.47 30.79 1sqr s TRP 45 CO -0.05 0.13 1.35 0.21 -0.00 0.00 0.00 176.95 178.59 1sqr s LYS 46 N 0.78 3.51 1.31 5.86 2.20 -1.26 -2.46 119.74 129.68 1sqr s LYS 46 Ca 0.26 -1.07 -0.20 0.00 -0.36 0.00 0.00 55.97 54.60 1sqr s LYS 46 Cb -0.15 -5.06 0.33 0.00 -1.51 0.00 0.00 37.83 31.43 1sqr s LYS 46 CO 0.10 -2.12 0.99 -1.12 -0.36 0.00 0.00 175.35 172.85 1sqr s SER 47 N 4.53 -0.13 0.04 1.43 0.01 -1.18 -4.90 113.70 113.51 1sqr s SER 47 Ca 0.41 0.93 -0.17 0.00 1.31 0.00 0.00 55.95 58.44 1sqr s SER 47 Cb -0.03 -1.36 -0.24 0.00 0.21 0.00 0.00 66.02 64.60 1sqr s SER 47 CO -0.05 -4.80 1.14 1.55 0.41 0.00 0.00 173.24 171.48 1sqr h PRO 48 N -3.04 0.58 -0.59 12.44 0.14 -1.94 -3.23 132.00 136.36 1sqr h PRO 48 Ca -0.48 -0.64 0.00 0.00 0.14 0.00 0.00 66.00 65.02 1sqr h PRO 48 Cb 1.33 0.19 0.00 0.00 0.14 0.00 0.00 31.00 32.66 1sqr h PRO 48 CO 0.35 1.25 0.00 0.45 0.14 0.00 0.00 178.00 180.19 1sqr n SER 49 N -3.99 0.59 0.00 1.44 2.88 -1.26 -4.72 113.62 108.56 1sqr n SER 49 Ca -0.11 -1.05 0.00 0.00 -1.33 0.00 0.00 58.87 56.38 1sqr n SER 49 Cb 0.81 -0.26 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 1sqr n SER 49 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1sqr n GLY 50 N 0.27 0.91 3.66 0.46 0.00 -1.22 -4.91 105.19 104.36 1sqr n GLY 50 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.02 4.19 -0.40 1.61 2.20 -1.26 -4.83 119.74 121.23 1sqr s LYS 51 Ca 0.00 1.76 -0.26 0.00 -0.36 0.00 0.00 55.97 57.11 1sqr s LYS 51 Cb 0.00 -3.83 0.02 0.00 -1.51 0.00 0.00 37.83 32.51 1sqr s LYS 51 CO 0.00 -0.78 0.94 0.42 -0.36 0.00 0.00 175.35 175.58 1sqr s ILE 52 N 3.71 4.53 -0.24 5.43 -1.09 -1.26 -3.08 121.20 129.20 1sqr s ILE 52 Ca 0.59 1.08 -0.11 0.00 -2.23 0.00 0.00 60.65 59.99 1sqr s ILE 52 Cb -0.24 -4.38 -0.05 0.00 -1.58 0.00 0.00 42.46 36.21 1sqr s ILE 52 CO 0.19 -0.65 0.17 -0.76 -1.23 0.00 0.00 174.94 172.66 1sqr s LEU 53 N 3.62 4.12 0.57 2.97 1.43 -1.03 -4.96 118.68 125.41 1sqr s LEU 53 Ca 0.39 0.14 -0.03 0.00 -1.03 0.00 0.00 54.13 53.59 1sqr s LEU 53 Cb -0.11 -2.13 0.02 0.00 0.03 0.00 0.00 46.19 44.00 1sqr s LEU 53 CO 0.22 0.06 0.85 -0.54 0.23 0.00 0.00 176.35 177.16 1sqr s LYS 54 N 1.05 2.72 0.33 1.70 1.02 -1.26 -2.37 119.74 122.94 1sqr s LYS 54 Ca 0.08 -0.33 -0.17 0.00 0.02 0.00 0.00 55.97 55.57 1sqr s LYS 54 Cb -0.13 -2.36 0.06 0.00 -0.52 0.00 0.00 37.83 34.88 1sqr s LYS 54 CO 0.04 -0.72 0.85 0.20 -0.92 0.00 0.00 175.35 174.81 1sqr s GLY 55 N -4.35 0.29 -0.19 -3.33 0.00 -0.94 -4.69 107.32 94.11 1sqr s GLY 55 Ca 0.55 -0.64 -0.08 0.00 0.00 0.00 0.00 44.72 44.55 1sqr s GLY 55 CO 0.42 0.34 0.42 1.25 0.00 0.00 0.00 173.10 175.53 1sqr s LYS 56 N -2.32 0.36 0.46 2.90 2.20 -1.26 -3.14 119.74 118.94 1sqr s LYS 56 Ca 0.17 0.96 -0.24 0.00 -0.36 0.00 0.00 55.97 56.50 1sqr s LYS 56 Cb -0.05 0.21 -0.07 0.00 -1.51 0.00 0.00 37.83 36.41 1sqr s LYS 56 CO 0.10 -0.22 1.27 0.42 -0.36 0.00 0.00 175.35 176.56 1sqr s ILE 57 N 2.17 2.67 -0.12 5.43 1.01 -1.26 -4.10 121.20 127.00 1sqr s ILE 57 Ca -0.05 0.54 0.06 0.00 0.00 0.00 0.00 60.65 61.20 1sqr s ILE 57 Cb -0.11 -3.29 -0.11 0.00 0.01 0.00 0.00 42.46 38.96 1sqr s ILE 57 CO -0.13 0.03 -0.04 1.33 0.00 0.00 0.00 174.94 176.14 1sqr n VAL 58 N -0.35 0.76 -3.48 2.92 0.24 -1.26 -4.09 118.33 113.09 1sqr n VAL 58 Ca 0.06 -0.39 -0.11 0.00 -2.04 0.00 0.00 64.34 61.86 1sqr n VAL 58 Cb 0.45 -0.84 -0.03 0.00 -1.47 0.00 0.00 33.84 31.96 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 -2.27 1.03 0.34 7.34 1.70 -1.26 -5.01 118.95 120.82 1sqr s ARG 59 Ca -0.11 -0.27 -0.09 0.00 -0.47 0.00 0.00 55.73 54.79 1sqr s ARG 59 Cb 0.04 0.48 -0.06 0.00 -0.57 0.00 0.00 34.95 34.83 1sqr s ARG 59 CO 0.39 -0.43 0.68 0.54 -1.08 0.00 0.00 175.30 175.39 1sqr s VAL 60 N -3.00 4.87 -0.04 4.99 0.11 -1.26 -2.17 120.40 123.89 1sqr s VAL 60 Ca 0.01 0.46 -0.02 0.00 -2.93 0.00 0.00 61.98 59.50 1sqr s VAL 60 Cb -0.01 -3.71 0.03 0.00 -1.53 0.00 0.00 36.38 31.17 1sqr s VAL 60 CO -0.08 -0.38 0.07 -2.28 -3.33 0.00 0.00 175.10 169.11 1sqr s HIS 61 N -2.19 -0.01 0.00 1.54 2.46 -1.20 -4.74 115.29 111.15 1sqr s HIS 61 Ca 0.49 0.28 0.00 0.00 0.47 0.00 0.00 55.06 56.30 1sqr s HIS 61 Cb -0.10 -0.31 0.00 0.00 -0.13 0.00 0.00 32.58 32.03 1sqr s HIS 61 CO 0.28 -0.16 0.00 0.41 -2.47 0.00 0.00 174.74 172.81 1sqr n GLY 62 N 4.74 0.82 7.00 1.59 0.00 -1.26 -3.21 105.19 114.87 1sqr n GLY 62 Ca -0.16 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.34 0.00 -1.66 2.61 -2.24 -1.26 -2.79 114.28 106.60 1sqr n THR 63 Ca 0.00 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.45 1sqr n THR 63 Cb 0.00 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.19 1sqr n THR 63 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1sqr n LYS 64 N 0.00 3.56 0.00 -0.78 2.85 -1.26 -3.96 118.16 118.57 1sqr n LYS 64 Ca 0.00 -2.73 0.00 0.00 -1.05 0.00 0.00 58.31 54.53 1sqr n LYS 64 Cb 0.00 -2.44 0.00 0.00 -0.65 0.00 0.00 35.03 31.94 1sqr n LYS 64 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1sqr n GLY 65 N 1.75 3.06 2.63 2.58 0.00 -1.12 -3.84 105.19 110.25 1sqr n GLY 65 Ca 0.58 -0.01 -0.23 0.00 0.00 0.00 0.00 46.02 46.36 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 -3.00 -2.90 -3.08 4.61 0.00 -1.20 -4.72 120.51 110.23 1sqr n ALA 66 Ca 0.00 -1.23 -0.12 0.00 0.00 0.00 0.00 53.44 52.09 1sqr n ALA 66 Cb 0.00 -0.09 -0.06 0.00 0.00 0.00 0.00 19.45 19.30 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 -2.38 0.06 0.35 0.00 -7.23 -0.33 -3.26 120.40 107.60 1sqr s VAL 67 Ca 0.54 -0.53 -0.08 0.00 -1.81 0.00 0.00 61.98 60.10 1sqr s VAL 67 Cb -0.06 -1.04 -0.06 0.00 0.56 0.00 0.00 36.38 35.78 1sqr s VAL 67 CO 0.42 -0.29 0.67 -0.60 -0.31 0.00 0.00 175.10 174.99 1sqr s ARG 68 N -3.01 3.72 0.04 4.82 6.06 -0.92 -1.57 118.95 128.08 1sqr s ARG 68 Ca -0.02 0.27 -0.14 0.00 -2.50 0.00 0.00 55.73 53.34 1sqr s ARG 68 Cb 0.00 -2.51 0.02 0.00 0.06 0.00 0.00 34.95 32.53 1sqr s ARG 68 CO -0.06 0.08 0.30 0.00 -2.50 0.00 0.00 175.30 173.12 1sqr s ALA 69 N -2.23 -0.69 -0.14 6.12 0.00 -0.85 -4.12 121.76 119.86 1sqr s ALA 69 Ca 0.48 0.03 -0.07 0.00 0.00 0.00 0.00 51.96 52.41 1sqr s ALA 69 Cb -0.10 0.30 0.05 0.00 0.00 0.00 0.00 23.12 23.36 1sqr s ALA 69 CO 0.30 -0.40 0.32 1.03 0.00 0.00 0.00 175.76 177.01 1sqr s ARG 70 N -2.43 0.28 -0.30 0.00 0.52 -1.26 -2.21 118.95 113.56 1sqr s ARG 70 Ca -0.06 0.67 -0.09 0.00 -0.52 0.00 0.00 55.73 55.73 1sqr s ARG 70 Cb -0.01 -0.06 -0.02 0.00 0.52 0.00 0.00 34.95 35.38 1sqr s ARG 70 CO -0.03 -0.18 0.14 -0.06 0.02 0.00 0.00 175.30 175.20 1sqr s PHE 71 N 1.47 3.17 -0.95 -0.53 0.40 -1.26 -4.21 117.98 116.07 1sqr s PHE 71 Ca -0.08 -0.44 0.28 0.00 -0.60 0.00 0.00 56.93 56.09 1sqr s PHE 71 Cb -0.10 -2.34 1.09 0.00 0.51 0.00 0.00 43.02 42.19 1sqr s PHE 71 CO -0.10 -0.39 1.85 0.39 0.70 0.00 0.00 175.22 177.66 1sqr n GLU 72 N 4.99 0.05 0.00 0.44 4.71 -1.26 -4.69 120.64 124.87 1sqr n GLU 72 Ca -0.14 0.04 0.00 0.00 -0.01 0.00 0.00 57.16 57.04 1sqr n GLU 72 Cb 0.50 -1.55 0.00 0.00 -1.01 0.00 0.00 31.44 29.37 1sqr n GLU 72 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1sqr n LYS 73 N -1.64 0.00 -0.26 3.49 4.81 -1.26 -4.97 118.16 118.33 1sqr n LYS 73 Ca 0.07 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.47 1sqr n LYS 73 Cb 0.36 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.37 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 -1.50 1.63 2.51 3.14 0.00 -1.26 -4.49 105.19 105.21 1sqr n GLY 74 Ca 0.00 -0.31 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 1sqr n GLY 74 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sqr s LEU 75 N 0.01 1.18 0.00 0.99 1.98 -1.26 -4.82 118.68 116.76 1sqr s LEU 75 Ca 0.16 -2.14 0.00 0.00 -2.89 0.00 0.00 54.13 49.27 1sqr s LEU 75 Cb 0.07 -0.48 0.00 0.00 0.66 0.00 0.00 46.19 46.44 1sqr s LEU 75 CO -0.00 -0.32 0.45 -2.65 -1.89 0.00 0.00 176.35 171.94 1sqr n PRO 76 N 4.12 0.00 0.00 0.98 -0.02 -1.26 -4.91 135.00 133.91 1sqr n PRO 76 Ca 0.09 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1sqr n PRO 76 Cb 0.37 -0.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.90 1sqr n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sqr n GLY 77 N -0.47 0.31 3.09 -1.23 0.00 -1.26 -5.10 105.19 100.52 1sqr n GLY 77 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1sqr n GLY 77 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1sqr s GLN 78 N 0.00 0.52 0.00 1.61 -0.44 -1.26 -4.99 119.66 115.09 1sqr s GLN 78 Ca 0.00 0.77 0.00 0.00 -2.50 0.00 0.00 55.36 53.63 1sqr s GLN 78 Cb 0.00 0.25 0.00 0.00 -1.64 0.00 0.00 33.01 31.62 1sqr s GLN 78 CO 0.00 -0.74 0.22 0.00 0.50 0.00 0.00 175.29 175.27 1sqr n ALA 79 N 5.41 0.44 -2.41 1.58 0.00 -1.26 -4.98 120.51 119.29 1sqr n ALA 79 Ca -0.00 -0.22 -0.40 0.00 0.00 0.00 0.00 53.44 52.82 1sqr n ALA 79 Cb 0.51 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.00 3.22 0.00 0.00 2.96 -1.26 -3.12 118.68 120.47 1sqr s LEU 80 Ca 0.00 -0.34 0.00 0.00 -0.22 0.00 0.00 54.13 53.57 1sqr s LEU 80 Cb 0.00 -2.55 0.00 0.00 0.50 0.00 0.00 46.19 44.14 1sqr s LEU 80 CO 0.00 -1.98 0.00 0.61 -1.32 0.00 0.00 176.35 173.66 1sqr n GLY 81 N 5.62 1.05 3.71 7.98 0.00 -1.26 -5.10 105.19 117.19 1sqr n GLY 81 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1sqr n GLY 81 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sqr s ASP 82 N -1.08 6.91 0.20 1.61 1.01 -1.18 -4.87 116.67 119.27 1sqr s ASP 82 Ca 0.00 2.20 -0.30 0.00 0.71 0.00 0.00 52.55 55.16 1sqr s ASP 82 Cb 0.00 -2.58 -0.09 0.00 1.01 0.00 0.00 42.92 41.26 1sqr s ASP 82 CO 0.00 -0.60 1.35 -0.31 0.21 0.00 0.00 175.17 175.82 1sqr s TYR 83 N 1.25 3.20 0.42 4.23 1.51 -1.26 -4.24 117.35 122.46 1sqr s TYR 83 Ca 0.63 1.14 -0.02 0.00 -1.01 0.00 0.00 57.07 57.81 1sqr s TYR 83 Cb -0.34 -3.66 -0.03 0.00 -0.11 0.00 0.00 41.96 37.82 1sqr s TYR 83 CO 0.29 -2.12 0.67 0.14 -1.11 0.00 0.00 175.55 173.43 1sqr s VAL 84 N 0.20 4.97 0.01 0.71 -7.23 -0.02 -4.48 120.40 114.57 1sqr s VAL 84 Ca 0.58 -0.13 -0.11 0.00 -1.81 0.00 0.00 61.98 60.51 1sqr s VAL 84 Cb -0.38 -3.85 0.01 0.00 0.56 0.00 0.00 36.38 32.72 1sqr s VAL 84 CO 0.38 -0.70 0.24 -1.61 -0.31 0.00 0.00 175.10 173.10 1sqr s GLU 85 N -4.54 0.63 -0.87 4.82 2.02 -1.25 -0.11 118.70 119.40 1sqr s GLU 85 Ca 0.44 -0.37 0.00 0.00 0.02 0.00 0.00 54.97 55.07 1sqr s GLU 85 Cb -0.10 0.27 0.27 0.00 0.10 0.00 0.00 34.13 34.67 1sqr s GLU 85 CO 0.41 -0.17 1.06 -0.89 0.02 0.00 0.00 175.26 175.68 1sqr n ILE 86 N 1.15 3.71 1.62 -1.63 5.41 -1.04 0.15 119.36 128.73 1sqr n ILE 86 Ca -0.21 -5.50 0.14 0.00 1.00 0.00 0.00 62.75 58.19 1sqr n ILE 86 Cb 0.57 -2.15 0.63 0.00 -0.71 0.00 0.00 39.64 37.98 1sqr n ILE 86 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07