#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 2.77 0.31 0.03 1.70 -1.26 -5.09 118.95 117.41 1sqr s ARG 2 Ca 0.00 0.13 0.06 0.00 -0.47 0.00 0.00 55.73 55.45 1sqr s ARG 2 Cb 0.00 -2.16 -0.02 0.00 -0.57 0.00 0.00 34.95 32.20 1sqr s ARG 2 CO 0.00 -0.92 0.42 0.42 -1.08 0.00 0.00 175.30 174.14 1sqr s ILE 3 N -3.17 4.30 -0.24 4.99 1.09 -1.26 -4.99 121.20 121.93 1sqr s ILE 3 Ca 0.56 -1.04 -0.03 0.00 -1.10 0.00 0.00 60.65 59.04 1sqr s ILE 3 Cb -0.11 -3.49 0.13 0.00 -1.06 0.00 0.00 42.46 37.93 1sqr s ILE 3 CO 0.47 -0.20 0.36 -1.59 -0.10 0.00 0.00 174.94 173.88 1sqr s LYS 4 N -4.10 0.33 0.38 2.79 -2.85 -1.26 -2.61 119.74 112.42 1sqr s LYS 4 Ca 0.42 0.53 0.05 0.00 -1.00 0.00 0.00 55.97 55.97 1sqr s LYS 4 Cb -0.09 -0.51 0.07 0.00 -2.06 0.00 0.00 37.83 35.23 1sqr s LYS 4 CO 0.30 -0.62 0.53 0.41 0.10 0.00 0.00 175.35 176.06 1sqr n GLY 5 N 5.36 1.78 2.90 0.59 0.00 0.63 -3.85 105.19 112.60 1sqr n GLY 5 Ca -0.04 -2.17 -0.13 0.00 0.00 0.00 0.00 46.02 43.68 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 -1.36 -0.03 0.40 1.61 1.01 -0.16 -0.62 120.40 121.25 1sqr s VAL 6 Ca 0.39 0.11 -0.22 0.00 0.00 0.00 0.00 61.98 62.26 1sqr s VAL 6 Cb -0.03 -0.15 -0.11 0.00 0.00 0.00 0.00 36.38 36.10 1sqr s VAL 6 CO 0.25 0.05 0.94 -0.69 0.00 0.00 0.00 175.10 175.64 1sqr s VAL 7 N 0.66 4.37 0.00 2.92 1.01 -1.26 -1.64 120.40 126.46 1sqr s VAL 7 Ca -0.05 1.53 0.00 0.00 0.00 0.00 0.00 61.98 63.46 1sqr s VAL 7 Cb -0.07 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1sqr s VAL 7 CO -0.03 -0.22 0.00 0.00 0.00 0.00 0.00 175.10 174.85 1sqr n LEU 8 N -0.39 0.00 -3.57 3.92 -0.00 -1.24 -4.78 117.00 110.94 1sqr n LEU 8 Ca 0.06 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.94 1sqr n LEU 8 Cb 0.53 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.89 1sqr n LEU 8 CO 0.39 0.00 0.67 -0.55 -0.00 0.00 0.00 177.39 177.89 1sqr s SER 9 N -1.74 -0.47 0.32 1.45 0.15 -1.26 -5.07 113.70 107.08 1sqr s SER 9 Ca 0.00 0.60 0.08 0.00 0.70 0.00 0.00 55.95 57.33 1sqr s SER 9 Cb 0.00 0.50 -0.03 0.00 -1.71 0.00 0.00 66.02 64.78 1sqr s SER 9 CO 0.00 -0.38 0.23 -0.47 1.20 0.00 0.00 173.24 173.83 1sqr s TYR 10 N -0.86 2.90 -0.24 3.44 5.04 -1.26 -1.74 117.35 124.62 1sqr s TYR 10 Ca -0.03 -0.28 -0.03 0.00 -2.44 0.00 0.00 57.07 54.29 1sqr s TYR 10 Cb -0.01 -1.67 0.13 0.00 0.35 0.00 0.00 41.96 40.77 1sqr s TYR 10 CO 0.03 0.30 0.40 0.50 -1.34 0.00 0.00 175.55 175.44 1sqr s ARG 11 N -3.92 0.37 -1.33 4.97 3.52 0.47 -4.93 118.95 118.10 1sqr s ARG 11 Ca 0.38 0.63 -0.08 0.00 -0.13 0.00 0.00 55.73 56.53 1sqr s ARG 11 Cb -0.06 -0.29 -0.08 0.00 -1.56 0.00 0.00 34.95 32.96 1sqr s ARG 11 CO 0.25 -0.60 2.70 2.89 -0.81 0.00 0.00 175.30 179.73 1sqr n ARG 12 N 5.37 3.10 -1.02 5.12 1.85 -1.26 -1.10 116.66 128.73 1sqr n ARG 12 Ca -0.04 -1.90 0.13 0.00 -1.00 0.00 0.00 57.85 55.04 1sqr n ARG 12 Cb 0.50 -2.65 -0.05 0.00 -1.05 0.00 0.00 32.46 29.21 1sqr n ARG 12 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 1sqr n SER 13 N 3.74 -6.11 -2.66 2.89 3.41 -0.17 -4.80 113.62 109.92 1sqr n SER 13 Ca 0.66 0.67 -0.05 0.00 -0.26 0.00 0.00 58.87 59.90 1sqr n SER 13 Cb 0.22 -3.26 0.04 0.00 -0.26 0.00 0.00 64.21 60.95 1sqr n SER 13 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1sqr n LYS 14 N -3.70 0.57 0.17 4.33 4.81 -1.26 -4.99 118.16 118.09 1sqr n LYS 14 Ca -0.02 -1.11 0.00 0.00 -0.87 0.00 0.00 58.31 56.30 1sqr n LYS 14 Cb 0.47 -0.02 0.00 0.00 0.02 0.00 0.00 35.03 35.51 1sqr n LYS 14 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1sqr n GLU 15 N -0.55 0.00 -0.60 1.64 2.13 -1.26 -5.17 120.64 116.83 1sqr n GLU 15 Ca -0.18 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.64 1sqr n GLU 15 Cb 0.72 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.43 1sqr n GLU 15 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1sqr n ASN 16 N -3.21 0.00 0.00 4.31 4.13 -1.26 -5.09 115.26 114.15 1sqr n ASN 16 Ca 0.00 -0.49 0.00 0.00 1.68 0.00 0.00 54.58 55.77 1sqr n ASN 16 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1sqr n ASN 16 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1sqr n GLN 17 N 0.00 0.00 -0.44 3.52 1.13 -1.26 -3.92 117.38 116.41 1sqr n GLN 17 Ca 0.00 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.05 1sqr n GLN 17 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.34 1sqr n GLN 17 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 1sqr n HIS 18 N 0.85 0.00 -1.66 1.08 -0.00 -1.26 -5.07 115.22 109.16 1sqr n HIS 18 Ca 0.00 -0.09 -0.64 0.00 0.46 0.00 0.00 57.72 57.44 1sqr n HIS 18 Cb 0.00 0.27 -0.09 0.00 -0.12 0.00 0.00 29.99 30.04 1sqr n HIS 18 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 1sqr n ASN 19 N 0.00 0.98 -4.56 0.26 5.03 -1.25 -4.46 115.26 111.26 1sqr n ASN 19 Ca -0.05 1.15 -0.42 0.00 0.87 0.00 0.00 54.58 56.13 1sqr n ASN 19 Cb 0.29 -0.86 -0.03 0.00 -1.02 0.00 0.00 39.78 38.17 1sqr n ASN 19 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 1sqr s ASN 20 N 2.43 6.31 0.03 6.41 0.02 -1.26 -1.00 114.94 127.87 1sqr s ASN 20 Ca 0.99 -0.22 0.03 0.00 -1.02 0.00 0.00 52.86 52.64 1sqr s ASN 20 Cb -1.42 -2.54 -0.04 0.00 0.02 0.00 0.00 41.25 37.28 1sqr s ASN 20 CO 0.75 -1.60 -0.02 -0.69 0.02 0.00 0.00 177.10 175.57 1sqr s VAL 21 N 5.12 3.97 -0.04 1.60 1.01 -0.26 -2.45 120.40 129.36 1sqr s VAL 21 Ca 0.37 -0.77 -0.16 0.00 0.00 0.00 0.00 61.98 61.42 1sqr s VAL 21 Cb -0.09 -2.80 0.03 0.00 0.00 0.00 0.00 36.38 33.52 1sqr s VAL 21 CO 0.20 0.30 0.35 0.00 0.00 0.00 0.00 175.10 175.95 1sqr s MET 22 N -1.75 0.66 0.04 2.72 0.23 -0.58 -0.39 119.30 120.23 1sqr s MET 22 Ca 0.21 -0.03 -0.15 0.00 -1.03 0.00 0.00 55.69 54.68 1sqr s MET 22 Cb -0.11 0.30 -0.06 0.00 -1.53 0.00 0.00 34.83 33.43 1sqr s MET 22 CO 0.12 -0.17 0.46 0.42 -2.03 0.00 0.00 175.02 173.81 1sqr s ILE 23 N -1.06 4.95 0.11 3.16 -1.09 -0.71 -1.99 121.20 124.58 1sqr s ILE 23 Ca -0.11 0.89 0.05 0.00 -2.23 0.00 0.00 60.65 59.25 1sqr s ILE 23 Cb -0.04 -3.75 -0.04 0.00 -1.58 0.00 0.00 42.46 37.05 1sqr s ILE 23 CO 0.04 0.52 -0.12 -0.63 -1.23 0.00 0.00 174.94 173.52 1sqr s ILE 24 N -1.15 1.16 -0.29 2.92 1.01 -0.52 -3.59 121.20 120.74 1sqr s ILE 24 Ca 0.27 -1.70 -0.03 0.00 0.00 0.00 0.00 60.65 59.19 1sqr s ILE 24 Cb -0.17 -1.48 0.10 0.00 0.01 0.00 0.00 42.46 40.92 1sqr s ILE 24 CO 0.16 -0.49 0.12 -0.75 0.00 0.00 0.00 174.94 173.97 1sqr s LYS 25 N -2.77 0.39 -1.07 2.79 2.20 -0.65 -0.81 119.74 119.82 1sqr s LYS 25 Ca 0.08 -0.72 -0.25 0.00 -0.36 0.00 0.00 55.97 54.73 1sqr s LYS 25 Cb -0.04 -1.50 -0.13 0.00 -1.51 0.00 0.00 37.83 34.66 1sqr s LYS 25 CO 0.02 -0.99 2.04 -2.14 -0.36 0.00 0.00 175.35 173.91 1sqr s PRO 26 N 1.92 2.01 0.00 4.03 0.02 -1.26 -0.99 135.00 140.72 1sqr s PRO 26 Ca 0.09 -0.64 0.00 0.00 0.02 0.00 0.00 61.00 60.47 1sqr s PRO 26 Cb -0.16 -5.09 0.00 0.00 0.02 0.00 0.00 34.50 29.27 1sqr s PRO 26 CO -0.32 -4.41 0.00 -0.11 -0.33 0.00 0.00 177.00 171.84 1sqr n LEU 27 N 16.39 0.00 0.00 -5.54 7.94 -1.25 -2.84 117.00 131.69 1sqr n LEU 27 Ca 0.43 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.33 1sqr n LEU 27 Cb 0.46 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.41 1sqr n LEU 27 CO 0.63 0.00 0.00 -0.90 -1.11 0.00 0.00 177.39 176.01 1sqr n ASP 28 N 0.19 0.00 -4.02 1.96 5.68 -1.26 -4.96 116.55 114.13 1sqr n ASP 28 Ca 0.00 0.00 -0.40 0.00 -0.50 0.00 0.00 54.79 53.89 1sqr n ASP 28 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 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 -0.39 -3.15 -1.10 2.12 0.31 -1.13 -4.79 118.33 110.21 1sqr n VAL 29 Ca 0.00 -0.66 -0.22 0.00 -0.01 0.00 0.00 64.34 63.45 1sqr n VAL 29 Cb 0.00 -2.56 0.03 0.00 -0.91 0.00 0.00 33.84 30.40 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 -2.44 6.72 -3.65 4.52 0.23 -1.26 -3.30 115.26 116.08 1sqr n ASN 30 Ca -0.16 -3.24 -0.05 0.00 -0.53 0.00 0.00 54.58 50.60 1sqr n ASN 30 Cb 0.60 -1.08 -0.06 0.00 -2.08 0.00 0.00 39.78 37.16 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 -0.17 -0.91 0.57 0.53 0.01 -1.23 -4.93 113.70 107.57 1sqr s SER 31 Ca 0.42 1.42 0.26 0.00 1.31 0.00 0.00 55.95 59.36 1sqr s SER 31 Cb 0.32 1.70 1.64 0.00 0.21 0.00 0.00 66.02 69.89 1sqr s SER 31 CO -0.05 -0.23 2.20 -0.09 0.41 0.00 0.00 173.24 175.48 1sqr h ARG 32 N 7.55 0.00 -0.05 12.44 2.43 -1.86 0.26 114.38 135.15 1sqr h ARG 32 Ca -0.24 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.93 1sqr h ARG 32 Cb 1.16 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.71 1sqr h ARG 32 CO 0.14 0.00 0.03 0.93 -1.51 0.00 0.00 179.97 179.57 1sqr h GLU 33 N 0.00 0.07 -0.06 0.20 4.39 -1.98 0.57 114.58 117.77 1sqr h GLU 33 Ca 0.02 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.62 1sqr h GLU 33 Cb 0.11 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1sqr h GLU 33 CO -0.00 0.09 -0.34 0.93 -1.16 0.00 0.00 179.01 178.53 1sqr h GLU 34 N 0.03 0.34 0.60 2.33 5.08 -1.58 -1.87 114.58 119.51 1sqr h GLU 34 Ca 0.02 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.07 1sqr h GLU 34 Cb 0.04 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1sqr h GLU 34 CO -0.00 0.93 -0.48 0.00 -1.00 0.00 0.00 179.01 178.46 1sqr h ALA 35 N 0.42 -1.19 -0.94 3.43 0.00 -0.47 0.20 119.26 120.70 1sqr h ALA 35 Ca -0.02 -0.21 0.11 0.00 0.00 0.00 0.00 54.91 54.79 1sqr h ALA 35 Cb 1.00 0.66 -0.07 0.00 0.00 0.00 0.00 17.79 19.37 1sqr h ALA 35 CO 0.07 -1.19 0.60 1.03 0.00 0.00 0.00 179.25 179.76 1sqr h SER 36 N -1.05 0.84 0.89 0.00 0.87 0.03 0.17 113.55 115.30 1sqr h SER 36 Ca -0.08 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.51 1sqr h SER 36 Cb 0.87 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.69 1sqr h SER 36 CO 0.01 0.47 -0.03 0.11 -0.53 0.00 0.00 176.83 176.86 1sqr h LYS 37 N 0.91 0.00 0.00 2.24 1.57 -0.82 -2.24 116.57 118.23 1sqr h LYS 37 Ca 0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 1sqr h LYS 37 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1sqr h LYS 37 CO -0.21 0.03 -0.49 1.25 -0.57 0.00 0.00 179.45 179.45 1sqr h LEU 38 N 0.00 0.00 -9.25 2.94 6.46 0.24 -3.47 115.31 112.24 1sqr h LEU 38 Ca -0.00 -0.11 -0.66 0.00 -0.12 0.00 0.00 57.88 56.99 1sqr h LEU 38 Cb 0.48 0.00 0.02 0.00 -0.73 0.00 0.00 40.66 40.43 1sqr h LEU 38 CO 0.00 0.06 0.98 -0.38 -0.62 0.00 0.00 178.44 178.48 1sqr n ILE 39 N -2.35 0.42 0.00 4.05 5.41 -0.85 -0.93 119.36 125.12 1sqr n ILE 39 Ca 0.03 -0.08 0.00 0.00 1.00 0.00 0.00 62.75 63.71 1sqr n ILE 39 Cb 0.47 -1.58 0.00 0.00 -0.71 0.00 0.00 39.64 37.81 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 4.18 0.85 3.77 7.39 0.00 -1.25 -5.07 105.19 115.07 1sqr n GLY 40 Ca 0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.41 2.62 -0.25 1.61 1.81 -0.11 -4.78 118.95 119.44 1sqr s ARG 41 Ca 0.00 1.30 -0.10 0.00 -1.72 0.00 0.00 55.73 55.22 1sqr s ARG 41 Cb 0.00 -1.93 -0.04 0.00 -0.45 0.00 0.00 34.95 32.52 1sqr s ARG 41 CO 0.00 -1.37 0.14 -1.17 -0.68 0.00 0.00 175.30 172.21 1sqr s LEU 42 N -5.24 3.88 -0.50 2.53 2.96 -1.26 -2.74 118.68 118.31 1sqr s LEU 42 Ca 0.65 -0.01 -0.21 0.00 -0.22 0.00 0.00 54.13 54.34 1sqr s LEU 42 Cb -0.19 -2.05 0.05 0.00 0.50 0.00 0.00 46.19 44.50 1sqr s LEU 42 CO 0.47 0.01 0.70 0.68 -1.32 0.00 0.00 176.35 176.88 1sqr s VAL 43 N 1.37 4.76 -0.47 1.68 -7.23 -1.22 -4.59 120.40 114.70 1sqr s VAL 43 Ca 0.06 -0.20 -0.13 0.00 -1.81 0.00 0.00 61.98 59.90 1sqr s VAL 43 Cb -0.15 -4.33 0.09 0.00 0.56 0.00 0.00 36.38 32.56 1sqr s VAL 43 CO 0.06 -0.83 0.38 -0.22 -0.31 0.00 0.00 175.10 174.18 1sqr s LEU 44 N 2.95 5.63 -0.50 1.32 0.20 0.86 -2.35 118.68 126.80 1sqr s LEU 44 Ca 0.20 -1.55 -0.18 0.00 0.69 0.00 0.00 54.13 53.29 1sqr s LEU 44 Cb -0.17 -2.12 0.06 0.00 -0.43 0.00 0.00 46.19 43.54 1sqr s LEU 44 CO 0.15 -0.67 0.57 0.86 -0.29 0.00 0.00 176.35 176.97 1sqr s TRP 45 N 1.54 3.10 -0.67 5.38 -0.00 -0.39 -3.05 118.94 124.85 1sqr s TRP 45 Ca 0.04 -0.63 -0.26 0.00 -0.00 0.00 0.00 56.10 55.25 1sqr s TRP 45 Cb -0.25 -3.44 0.04 0.00 -0.00 0.00 0.00 33.47 29.81 1sqr s TRP 45 CO 0.04 -0.97 1.18 0.21 -0.00 0.00 0.00 176.95 177.41 1sqr s LYS 46 N 2.38 3.27 0.41 5.86 2.20 -1.26 -2.24 119.74 130.36 1sqr s LYS 46 Ca 0.12 -0.21 -0.26 0.00 -0.36 0.00 0.00 55.97 55.26 1sqr s LYS 46 Cb -0.20 -4.13 -0.09 0.00 -1.51 0.00 0.00 37.83 31.89 1sqr s LYS 46 CO 0.11 -1.92 1.40 0.45 -0.36 0.00 0.00 175.35 175.02 1sqr s SER 47 N 3.45 6.17 -0.88 1.43 0.15 -1.19 -4.77 113.70 118.06 1sqr s SER 47 Ca 0.35 2.87 -0.19 0.00 0.70 0.00 0.00 55.95 59.68 1sqr s SER 47 Cb -0.10 -2.65 -0.23 0.00 -1.71 0.00 0.00 66.02 61.33 1sqr s SER 47 CO 0.17 -0.97 2.32 -0.81 1.20 0.00 0.00 173.24 175.15 1sqr n PRO 48 N 0.12 0.29 -4.05 5.44 -0.04 -1.26 -2.89 135.00 132.61 1sqr n PRO 48 Ca 0.03 -0.33 -0.43 0.00 -0.04 0.00 0.00 63.50 62.74 1sqr n PRO 48 Cb 0.42 -2.25 0.02 0.00 -0.04 0.00 0.00 33.50 31.65 1sqr n PRO 48 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1sqr n SER 49 N 11.73 -3.88 0.09 3.54 3.41 -1.26 -4.81 113.62 122.45 1sqr n SER 49 Ca 0.58 -1.21 0.00 0.00 -0.26 0.00 0.00 58.87 57.98 1sqr n SER 49 Cb 0.27 -1.48 0.00 0.00 -0.26 0.00 0.00 64.21 62.74 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 -2.00 -0.31 3.59 5.00 0.00 -1.14 -5.13 105.19 105.20 1sqr n GLY 50 Ca -0.12 0.01 -0.02 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.61 0.48 -0.54 1.61 2.20 -1.26 -5.05 119.74 115.56 1sqr s LYS 51 Ca 0.00 0.96 -0.27 0.00 -0.36 0.00 0.00 55.97 56.30 1sqr s LYS 51 Cb 0.00 0.31 0.03 0.00 -1.51 0.00 0.00 37.83 36.66 1sqr s LYS 51 CO 0.00 -0.12 1.08 0.42 -0.36 0.00 0.00 175.35 176.37 1sqr s ILE 52 N 1.92 4.21 0.21 5.43 1.09 -1.26 -3.14 121.20 129.66 1sqr s ILE 52 Ca -0.07 0.77 -0.05 0.00 -1.10 0.00 0.00 60.65 60.20 1sqr s ILE 52 Cb -0.06 -4.62 -0.06 0.00 -1.06 0.00 0.00 42.46 36.67 1sqr s ILE 52 CO -0.17 -1.16 0.46 -0.76 -0.10 0.00 0.00 174.94 173.21 1sqr s LEU 53 N 4.44 4.18 -0.27 2.97 1.43 -0.95 -4.97 118.68 125.51 1sqr s LEU 53 Ca 0.40 0.65 0.00 0.00 -1.03 0.00 0.00 54.13 54.15 1sqr s LEU 53 Cb -0.09 -3.42 0.15 0.00 0.03 0.00 0.00 46.19 42.86 1sqr s LEU 53 CO 0.25 -0.06 0.41 -1.59 0.23 0.00 0.00 176.35 175.59 1sqr s LYS 54 N -3.07 0.40 0.00 1.70 -2.85 -1.26 -1.26 119.74 113.40 1sqr s LYS 54 Ca 0.43 0.32 0.00 0.00 -1.00 0.00 0.00 55.97 55.72 1sqr s LYS 54 Cb -0.11 -0.32 0.00 0.00 -2.06 0.00 0.00 37.83 35.34 1sqr s LYS 54 CO 0.26 -0.87 0.00 0.41 0.10 0.00 0.00 175.35 175.25 1sqr n GLY 55 N 5.36 0.74 3.28 0.59 0.00 -0.99 -4.91 105.19 109.27 1sqr n GLY 55 Ca -0.01 -1.82 -0.10 0.00 0.00 0.00 0.00 46.02 44.09 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 1.62 0.40 0.34 1.61 2.20 -1.26 -3.37 119.74 121.28 1sqr s LYS 56 Ca 0.00 0.82 -0.28 0.00 -0.36 0.00 0.00 55.97 56.15 1sqr s LYS 56 Cb 0.00 0.01 -0.10 0.00 -1.51 0.00 0.00 37.83 36.22 1sqr s LYS 56 CO 0.00 -0.16 1.33 0.42 -0.36 0.00 0.00 175.35 176.57 1sqr s ILE 57 N 1.50 2.63 -0.24 5.43 1.01 -1.11 -3.82 121.20 126.60 1sqr s ILE 57 Ca -0.09 0.63 -0.09 0.00 0.00 0.00 0.00 60.65 61.10 1sqr s ILE 57 Cb -0.09 -3.40 -0.11 0.00 0.01 0.00 0.00 42.46 38.87 1sqr s ILE 57 CO -0.13 0.15 -0.29 1.33 0.00 0.00 0.00 174.94 176.00 1sqr n VAL 58 N 0.70 1.32 -3.57 2.92 0.24 -1.09 -3.78 118.33 115.06 1sqr n VAL 58 Ca 0.00 -0.37 -0.10 0.00 -2.04 0.00 0.00 64.34 61.83 1sqr n VAL 58 Cb 0.42 -1.71 -0.02 0.00 -1.47 0.00 0.00 33.84 31.05 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 -2.44 1.42 0.53 7.34 1.70 -1.25 -4.78 118.95 121.47 1sqr s ARG 59 Ca -0.33 -0.65 -0.16 0.00 -0.47 0.00 0.00 55.73 54.12 1sqr s ARG 59 Cb 0.12 0.59 -0.07 0.00 -0.57 0.00 0.00 34.95 35.02 1sqr s ARG 59 CO 0.44 -0.63 1.00 0.54 -1.08 0.00 0.00 175.30 175.57 1sqr s VAL 60 N -3.81 4.40 -0.03 4.99 0.11 -1.26 -0.85 120.40 123.95 1sqr s VAL 60 Ca 0.04 1.14 -0.00 0.00 -2.93 0.00 0.00 61.98 60.22 1sqr s VAL 60 Cb -0.02 -3.66 0.03 0.00 -1.53 0.00 0.00 36.38 31.20 1sqr s VAL 60 CO -0.07 -0.67 0.05 -2.28 -3.33 0.00 0.00 175.10 168.80 1sqr s HIS 61 N -2.62 0.00 0.00 1.54 2.46 -0.76 -4.67 115.29 111.24 1sqr s HIS 61 Ca 0.60 0.18 0.00 0.00 0.47 0.00 0.00 55.06 56.31 1sqr s HIS 61 Cb -0.11 -0.22 0.00 0.00 -0.13 0.00 0.00 32.58 32.12 1sqr s HIS 61 CO 0.33 -0.10 0.00 0.41 -2.47 0.00 0.00 174.74 172.91 1sqr n GLY 62 N 4.19 2.14 1.73 1.59 0.00 -1.26 -2.69 105.19 110.89 1sqr n GLY 62 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 -5.41 -2.89 2.61 -2.24 -1.26 -4.51 114.28 98.58 1sqr n THR 63 Ca 0.00 2.49 -0.12 0.00 -2.27 0.00 0.00 64.05 64.15 1sqr n THR 63 Cb 0.00 -3.40 -0.01 0.00 -2.10 0.00 0.00 70.33 64.82 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 -0.68 -2.61 0.00 -0.78 2.85 -1.26 -4.68 118.16 110.99 1sqr n LYS 64 Ca 0.00 0.22 0.00 0.00 -1.05 0.00 0.00 58.31 57.48 1sqr n LYS 64 Cb 0.00 -4.78 0.00 0.00 -0.65 0.00 0.00 35.03 29.60 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 -0.74 3.69 3.50 2.58 0.00 -1.21 -3.53 105.19 109.48 1sqr n GLY 65 Ca -0.02 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.51 0.23 -0.01 4.61 0.00 -1.10 -4.62 121.76 119.36 1sqr s ALA 66 Ca 0.00 -1.03 -0.22 0.00 0.00 0.00 0.00 51.96 50.71 1sqr s ALA 66 Cb 0.00 -2.85 0.05 0.00 0.00 0.00 0.00 23.12 20.31 1sqr s ALA 66 CO 0.00 -3.98 0.49 0.14 0.00 0.00 0.00 175.76 172.41 1sqr s VAL 67 N -2.83 0.03 0.23 0.00 -7.23 0.01 -1.84 120.40 108.78 1sqr s VAL 67 Ca 0.71 -0.27 -0.13 0.00 -1.81 0.00 0.00 61.98 60.48 1sqr s VAL 67 Cb -0.09 -0.85 -0.08 0.00 0.56 0.00 0.00 36.38 35.93 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 -1.59 3.94 0.11 4.82 3.52 -0.03 -1.43 118.95 128.28 1sqr s ARG 68 Ca -0.10 0.48 -0.11 0.00 -0.13 0.00 0.00 55.73 55.87 1sqr s ARG 68 Cb -0.02 -2.68 0.01 0.00 -1.56 0.00 0.00 34.95 30.69 1sqr s ARG 68 CO 0.05 0.32 0.26 0.00 -0.81 0.00 0.00 175.30 175.11 1sqr s ALA 69 N -1.75 -0.37 -0.11 6.12 0.00 -0.84 -2.68 121.76 122.13 1sqr s ALA 69 Ca 0.46 -0.52 -0.04 0.00 0.00 0.00 0.00 51.96 51.86 1sqr s ALA 69 Cb -0.12 0.59 0.06 0.00 0.00 0.00 0.00 23.12 23.64 1sqr s ALA 69 CO 0.20 -0.56 0.23 1.03 0.00 0.00 0.00 175.76 176.65 1sqr s ARG 70 N -3.86 0.12 -0.37 0.00 0.52 -1.25 -1.53 118.95 112.58 1sqr s ARG 70 Ca 0.06 0.67 -0.16 0.00 -0.52 0.00 0.00 55.73 55.78 1sqr s ARG 70 Cb 0.04 -0.11 -0.00 0.00 0.52 0.00 0.00 34.95 35.40 1sqr s ARG 70 CO -0.10 -0.28 0.39 -0.06 0.02 0.00 0.00 175.30 175.27 1sqr s PHE 71 N 2.25 3.20 0.29 -0.53 0.40 -1.02 -4.03 117.98 118.54 1sqr s PHE 71 Ca 0.01 -0.15 0.22 0.00 -0.60 0.00 0.00 56.93 56.41 1sqr s PHE 71 Cb -0.12 -2.74 1.04 0.00 0.51 0.00 0.00 43.02 41.71 1sqr s PHE 71 CO -0.08 -0.52 1.90 1.05 0.70 0.00 0.00 175.22 178.27 1sqr h GLU 72 N 8.55 0.00 0.00 0.44 4.11 -1.94 -3.37 114.58 122.38 1sqr h GLU 72 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.14 1sqr h GLU 72 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1sqr h GLU 72 CO 0.73 0.24 0.00 1.63 0.07 0.00 0.00 179.01 181.68 1sqr n LYS 73 N -3.63 0.00 0.00 1.06 4.76 -1.26 -5.02 118.16 114.06 1sqr n LYS 73 Ca -0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 1sqr n LYS 73 Cb 0.37 -0.38 0.00 0.00 -1.84 0.00 0.00 35.03 33.18 1sqr n LYS 73 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1sqr n GLY 74 N 2.52 3.81 3.89 0.72 0.00 -1.26 -5.10 105.19 109.77 1sqr n GLY 74 Ca 0.00 -1.64 -0.30 0.00 0.00 0.00 0.00 46.02 44.08 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 4.03 0.75 0.99 1.43 -1.26 -5.07 118.68 119.55 1sqr s LEU 75 Ca 0.00 0.87 -0.13 0.00 -1.03 0.00 0.00 54.13 53.84 1sqr s LEU 75 Cb 0.00 -3.69 0.05 0.00 0.03 0.00 0.00 46.19 42.58 1sqr s LEU 75 CO 0.00 -0.21 1.13 -2.16 0.23 0.00 0.00 176.35 175.34 1sqr s PRO 76 N -3.43 2.21 0.00 1.29 0.05 -1.26 -4.73 135.00 129.13 1sqr s PRO 76 Ca 0.47 1.43 0.00 0.00 0.05 0.00 0.00 61.00 62.95 1sqr s PRO 76 Cb -0.11 -1.87 0.00 0.00 0.05 0.00 0.00 34.50 32.57 1sqr s PRO 76 CO 0.28 -1.71 0.00 0.41 0.05 0.00 0.00 177.00 176.02 1sqr n GLY 77 N -0.41 0.27 3.03 0.56 0.00 -1.26 -3.58 105.19 103.81 1sqr n GLY 77 Ca 0.11 0.25 -0.02 0.00 0.00 0.00 0.00 46.02 46.36 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 0.48 -0.44 1.61 2.00 -1.26 -5.02 119.66 117.03 1sqr s GLN 78 Ca 0.00 0.49 0.04 0.00 -2.00 0.00 0.00 55.36 53.89 1sqr s GLN 78 Cb 0.00 0.01 0.45 0.00 0.80 0.00 0.00 33.01 34.27 1sqr s GLN 78 CO 0.00 -0.90 1.50 0.00 -0.50 0.00 0.00 175.29 175.38 1sqr n ALA 79 N 5.39 5.51 -2.15 1.58 0.00 -1.23 -5.02 120.51 124.59 1sqr n ALA 79 Ca 0.01 -3.71 -0.43 0.00 0.00 0.00 0.00 53.44 49.31 1sqr n ALA 79 Cb 0.51 -0.87 -0.02 0.00 0.00 0.00 0.00 19.45 19.07 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 -3.69 3.94 0.00 0.00 1.98 -1.26 -2.49 118.68 117.16 1sqr s LEU 80 Ca 0.56 1.63 0.00 0.00 -2.89 0.00 0.00 54.13 53.43 1sqr s LEU 80 Cb 0.44 -3.53 0.00 0.00 0.66 0.00 0.00 46.19 43.76 1sqr s LEU 80 CO 0.00 -1.19 0.00 0.61 -1.89 0.00 0.00 176.35 173.88 1sqr n GLY 81 N 4.53 0.69 3.77 7.98 0.00 -1.26 -5.09 105.19 115.81 1sqr n GLY 81 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.80 6.59 0.26 1.61 1.11 -1.04 -4.76 116.67 118.64 1sqr s ASP 82 Ca 0.00 2.40 -0.30 0.00 0.18 0.00 0.00 52.55 54.83 1sqr s ASP 82 Cb 0.00 -2.62 -0.10 0.00 1.07 0.00 0.00 42.92 41.27 1sqr s ASP 82 CO 0.00 -0.63 1.33 -0.31 1.18 0.00 0.00 175.17 176.74 1sqr s TYR 83 N -1.36 3.15 0.42 4.23 1.51 -1.26 -4.20 117.35 119.84 1sqr s TYR 83 Ca 0.55 1.26 -0.02 0.00 -1.01 0.00 0.00 57.07 57.85 1sqr s TYR 83 Cb -0.32 -3.66 -0.03 0.00 -0.11 0.00 0.00 41.96 37.83 1sqr s TYR 83 CO 0.41 -1.99 0.67 0.14 -1.11 0.00 0.00 175.55 173.67 1sqr s VAL 84 N -0.39 4.99 0.01 0.71 -7.23 0.21 -4.91 120.40 113.78 1sqr s VAL 84 Ca 0.54 -0.13 -0.07 0.00 -1.81 0.00 0.00 61.98 60.51 1sqr s VAL 84 Cb -0.39 -3.86 0.00 0.00 0.56 0.00 0.00 36.38 32.70 1sqr s VAL 84 CO 0.44 -0.70 0.13 -1.61 -0.31 0.00 0.00 175.10 173.05 1sqr s GLU 85 N -4.54 0.49 -0.87 4.82 2.02 -1.26 -0.27 118.70 119.10 1sqr s GLU 85 Ca 0.44 -0.43 0.00 0.00 0.02 0.00 0.00 54.97 55.00 1sqr s GLU 85 Cb -0.10 0.20 0.26 0.00 0.10 0.00 0.00 34.13 34.60 1sqr s GLU 85 CO 0.41 -0.12 1.03 -0.89 0.02 0.00 0.00 175.26 175.71 1sqr n ILE 86 N 1.38 3.65 1.05 -1.63 5.41 -1.07 -0.10 119.36 128.05 1sqr n ILE 86 Ca -0.23 -5.46 0.12 0.00 1.00 0.00 0.00 62.75 58.19 1sqr n ILE 86 Cb 0.56 -2.17 0.14 0.00 -0.71 0.00 0.00 39.64 37.46 1sqr n ILE 86 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07