#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 2.67 -0.06 0.03 1.70 -1.26 -4.99 118.95 117.04 1sqr s ARG 2 Ca 0.00 -1.00 -0.12 0.00 -0.47 0.00 0.00 55.73 54.14 1sqr s ARG 2 Cb 0.00 -2.62 0.02 0.00 -0.57 0.00 0.00 34.95 31.79 1sqr s ARG 2 CO 0.00 -0.51 0.29 0.42 -1.08 0.00 0.00 175.30 174.42 1sqr s ILE 3 N -2.57 0.03 0.81 4.99 1.01 -1.26 -4.97 121.20 119.25 1sqr s ILE 3 Ca 0.56 -0.26 -0.10 0.00 0.00 0.00 0.00 60.65 60.85 1sqr s ILE 3 Cb -0.10 -0.50 0.12 0.00 0.01 0.00 0.00 42.46 41.99 1sqr s ILE 3 CO 0.36 -0.14 1.15 -0.54 0.00 0.00 0.00 174.94 175.77 1sqr s LYS 4 N -0.58 1.59 0.09 2.79 1.02 -1.26 -1.45 119.74 121.94 1sqr s LYS 4 Ca -0.07 -0.32 -0.26 0.00 0.02 0.00 0.00 55.97 55.34 1sqr s LYS 4 Cb -0.04 -2.03 0.09 0.00 -0.52 0.00 0.00 37.83 35.33 1sqr s LYS 4 CO 0.02 -1.72 1.14 0.20 -0.92 0.00 0.00 175.35 174.06 1sqr s GLY 5 N -4.68 -0.15 -0.08 -3.33 0.00 0.47 -2.14 107.32 97.41 1sqr s GLY 5 Ca 0.66 0.11 -0.13 0.00 0.00 0.00 0.00 44.72 45.36 1sqr s GLY 5 CO 0.48 1.88 0.32 0.14 0.00 0.00 0.00 173.10 175.92 1sqr s VAL 6 N -2.46 0.02 0.38 1.40 1.01 -0.08 -1.37 120.40 119.31 1sqr s VAL 6 Ca 0.19 -0.20 -0.23 0.00 0.00 0.00 0.00 61.98 61.74 1sqr s VAL 6 Cb 0.00 -0.52 -0.10 0.00 0.00 0.00 0.00 36.38 35.76 1sqr s VAL 6 CO 0.01 -0.11 0.95 -0.69 0.00 0.00 0.00 175.10 175.26 1sqr s VAL 7 N -0.43 4.29 -0.10 2.92 1.01 -1.26 -2.14 120.40 124.70 1sqr s VAL 7 Ca -0.05 1.63 -0.07 0.00 0.00 0.00 0.00 61.98 63.49 1sqr s VAL 7 Cb -0.04 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 1sqr s VAL 7 CO 0.02 -0.11 -0.16 0.18 0.00 0.00 0.00 175.10 175.03 1sqr n LEU 8 N -0.11 1.03 -3.59 3.92 4.77 -1.20 -4.82 117.00 117.00 1sqr n LEU 8 Ca 0.05 0.17 -0.02 0.00 -0.03 0.00 0.00 56.01 56.18 1sqr n LEU 8 Cb 0.52 -0.40 -0.05 0.00 -2.33 0.00 0.00 43.42 41.16 1sqr n LEU 8 CO 0.40 0.07 0.43 -0.55 -1.33 0.00 0.00 177.39 176.41 1sqr s SER 9 N -6.08 -0.86 -0.47 -1.43 0.15 -1.26 -5.06 113.70 98.69 1sqr s SER 9 Ca -0.16 1.25 -0.16 0.00 0.70 0.00 0.00 55.95 57.58 1sqr s SER 9 Cb 0.06 1.74 0.07 0.00 -1.71 0.00 0.00 66.02 66.17 1sqr s SER 9 CO 0.21 -0.18 0.41 -0.47 1.20 0.00 0.00 173.24 174.41 1sqr s TYR 10 N 2.21 3.22 0.14 3.44 5.04 -1.26 -2.43 117.35 127.71 1sqr s TYR 10 Ca -0.07 -0.85 -0.11 0.00 -2.44 0.00 0.00 57.07 53.60 1sqr s TYR 10 Cb -0.07 -3.16 -0.07 0.00 0.35 0.00 0.00 41.96 39.01 1sqr s TYR 10 CO -0.18 -0.80 0.49 1.03 -1.34 0.00 0.00 175.55 174.74 1sqr s ARG 11 N 1.75 3.85 -0.64 4.97 0.52 -0.80 -5.01 118.95 123.60 1sqr s ARG 11 Ca 0.05 0.30 0.06 0.00 -0.52 0.00 0.00 55.73 55.63 1sqr s ARG 11 Cb -0.23 -2.89 0.24 0.00 0.52 0.00 0.00 34.95 32.60 1sqr s ARG 11 CO 0.08 0.47 0.72 -2.13 0.02 0.00 0.00 175.30 174.46 1sqr n ARG 12 N 0.58 2.43 -1.33 3.54 0.63 -1.26 -1.35 116.66 119.90 1sqr n ARG 12 Ca -0.05 -4.62 -0.60 0.00 -0.92 0.00 0.00 57.85 51.67 1sqr n ARG 12 Cb 0.52 -2.23 -0.11 0.00 0.45 0.00 0.00 32.46 31.09 1sqr n ARG 12 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1sqr n SER 13 N 0.95 0.99 0.00 6.15 7.64 -1.26 -4.75 113.62 123.35 1sqr n SER 13 Ca 0.29 0.70 0.14 0.00 1.01 0.00 0.00 58.87 61.01 1sqr n SER 13 Cb 0.41 -0.95 0.69 0.00 -1.01 0.00 0.00 64.21 63.35 1sqr n SER 13 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1sqr n LYS 14 N 7.21 0.28 0.00 1.43 5.02 -1.26 -3.38 118.16 127.46 1sqr n LYS 14 Ca 0.51 0.01 0.06 0.00 -2.02 0.00 0.00 58.31 56.87 1sqr n LYS 14 Cb -0.01 -1.50 0.30 0.00 -0.02 0.00 0.00 35.03 33.81 1sqr n LYS 14 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1sqr n GLU 15 N -1.36 0.13 0.00 1.97 1.02 -1.26 -4.82 120.64 116.32 1sqr n GLU 15 Ca 0.12 0.20 0.00 0.00 -0.02 0.00 0.00 57.16 57.46 1sqr n GLU 15 Cb 0.26 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 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 -1.35 0.00 -1.84 1.62 2.85 -1.22 -4.53 115.26 110.79 1sqr n ASN 16 Ca 0.05 0.00 -0.06 0.00 -0.11 0.00 0.00 54.58 54.46 1sqr n ASN 16 Cb 0.11 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 41.05 1sqr n ASN 16 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1sqr n GLN 17 N 0.00 1.41 0.00 1.20 1.13 -1.26 -2.64 117.38 117.22 1sqr n GLN 17 Ca 0.00 -0.52 0.00 0.00 -1.94 0.00 0.00 57.00 54.54 1sqr n GLN 17 Cb 0.00 -1.57 0.00 0.00 0.11 0.00 0.00 30.24 28.78 1sqr n GLN 17 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1sqr n HIS 18 N 2.13 0.00 -0.75 1.08 8.25 -1.26 -5.16 115.22 119.51 1sqr n HIS 18 Ca 0.22 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.77 1sqr n HIS 18 Cb 0.66 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.72 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 -0.28 -4.12 -4.72 0.41 2.85 -1.08 -4.81 115.26 103.51 1sqr n ASN 19 Ca 0.00 0.74 -0.42 0.00 -0.11 0.00 0.00 54.58 54.79 1sqr n ASN 19 Cb 0.00 -2.57 -0.03 0.00 1.24 0.00 0.00 39.78 38.42 1sqr n ASN 19 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1sqr s ASN 20 N -5.75 7.07 0.25 1.20 2.20 -1.26 -4.06 114.94 114.59 1sqr s ASN 20 Ca 0.00 2.10 0.05 0.00 -0.94 0.00 0.00 52.86 54.07 1sqr s ASN 20 Cb 0.00 -2.59 -0.03 0.00 -2.00 0.00 0.00 41.25 36.63 1sqr s ASN 20 CO 0.00 -0.45 0.36 -0.69 -2.94 0.00 0.00 177.10 173.38 1sqr s VAL 21 N 0.73 5.13 -0.21 3.54 1.01 -0.46 -4.08 120.40 126.07 1sqr s VAL 21 Ca 0.57 -1.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.51 1sqr s VAL 21 Cb -0.31 -3.81 0.10 0.00 0.00 0.00 0.00 36.38 32.37 1sqr s VAL 21 CO 0.31 -0.32 0.31 -0.32 0.00 0.00 0.00 175.10 175.09 1sqr s MET 22 N -3.99 0.26 0.07 2.72 0.00 -0.90 -1.90 119.30 115.57 1sqr s MET 22 Ca 0.35 0.51 -0.24 0.00 0.00 0.00 0.00 55.69 56.31 1sqr s MET 22 Cb -0.09 -0.56 -0.06 0.00 0.00 0.00 0.00 34.83 34.12 1sqr s MET 22 CO 0.29 -0.55 0.74 0.42 0.00 0.00 0.00 175.02 175.93 1sqr s ILE 23 N 2.46 4.66 0.06 10.11 1.01 -1.02 -0.84 121.20 137.63 1sqr s ILE 23 Ca 0.07 1.59 0.01 0.00 0.00 0.00 0.00 60.65 62.33 1sqr s ILE 23 Cb -0.15 -4.09 -0.03 0.00 0.01 0.00 0.00 42.46 38.20 1sqr s ILE 23 CO -0.13 0.42 -0.06 -0.63 0.00 0.00 0.00 174.94 174.54 1sqr s ILE 24 N -0.40 0.48 -0.12 2.92 1.01 0.41 -3.20 121.20 122.29 1sqr s ILE 24 Ca 0.37 -1.39 -0.05 0.00 0.00 0.00 0.00 60.65 59.57 1sqr s ILE 24 Cb -0.21 -0.98 0.06 0.00 0.01 0.00 0.00 42.46 41.34 1sqr s ILE 24 CO 0.23 -0.62 0.26 -0.75 0.00 0.00 0.00 174.94 174.06 1sqr s LYS 25 N -2.51 0.16 1.04 2.79 2.20 -0.91 0.22 119.74 122.73 1sqr s LYS 25 Ca -0.02 0.71 -0.11 0.00 -0.36 0.00 0.00 55.97 56.18 1sqr s LYS 25 Cb -0.03 -0.05 0.21 0.00 -1.51 0.00 0.00 37.83 36.45 1sqr s LYS 25 CO -0.03 -0.26 1.09 -2.14 -0.36 0.00 0.00 175.35 173.65 1sqr s PRO 26 N 2.19 0.06 0.00 4.03 0.02 -1.26 -0.90 135.00 139.14 1sqr s PRO 26 Ca -0.01 1.21 0.00 0.00 0.02 0.00 0.00 61.00 62.22 1sqr s PRO 26 Cb -0.12 -1.64 0.00 0.00 0.02 0.00 0.00 34.50 32.76 1sqr s PRO 26 CO -0.09 -3.17 0.46 -0.11 -0.33 0.00 0.00 177.00 173.76 1sqr n LEU 27 N -4.58 0.00 0.00 -5.54 7.94 -0.91 -4.65 117.00 109.26 1sqr n LEU 27 Ca 0.08 0.46 0.00 0.00 -1.11 0.00 0.00 56.01 55.44 1sqr n LEU 27 Cb 0.53 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.48 1sqr n LEU 27 CO 0.53 0.00 0.00 -0.90 -1.11 0.00 0.00 177.39 175.91 1sqr n ASP 28 N -0.80 0.00 -4.24 1.96 5.68 -1.26 -4.92 116.55 112.97 1sqr n ASP 28 Ca 0.00 0.00 -0.37 0.00 -0.50 0.00 0.00 54.79 53.92 1sqr n ASP 28 Cb 0.00 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 39.92 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 -0.61 -1.58 -1.09 2.12 0.31 -1.26 -4.72 118.33 111.50 1sqr n VAL 29 Ca 0.00 -0.53 -0.19 0.00 -0.01 0.00 0.00 64.34 63.61 1sqr n VAL 29 Cb 0.00 -1.44 -0.02 0.00 -0.91 0.00 0.00 33.84 31.48 1sqr n VAL 29 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1sqr n ASN 30 N -2.61 6.30 -3.65 4.52 3.02 -1.20 -3.44 115.26 118.20 1sqr n ASN 30 Ca -0.25 -3.03 -0.05 0.00 -0.03 0.00 0.00 54.58 51.22 1sqr n ASN 30 Cb 0.65 -1.16 -0.07 0.00 -0.61 0.00 0.00 39.78 38.60 1sqr n ASN 30 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1sqr s SER 31 N 0.51 -0.88 0.57 6.41 0.01 0.35 -4.86 113.70 115.79 1sqr s SER 31 Ca 0.42 1.40 0.26 0.00 1.31 0.00 0.00 55.95 59.34 1sqr s SER 31 Cb 0.28 1.68 1.60 0.00 0.21 0.00 0.00 66.02 69.79 1sqr s SER 31 CO -0.08 -0.23 2.16 -0.09 0.41 0.00 0.00 173.24 175.41 1sqr h ARG 32 N 7.57 0.00 0.04 12.44 2.43 -1.86 0.32 114.38 135.31 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 0.15 0.00 -0.02 1.49 -1.51 0.00 0.00 179.97 180.08 1sqr h GLU 33 N 0.00 -0.05 -0.17 0.20 4.81 -1.95 0.83 114.58 118.25 1sqr h GLU 33 Ca 0.05 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.09 1sqr h GLU 33 Cb 0.25 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1sqr h GLU 33 CO -0.00 0.03 -0.66 1.49 -0.73 0.00 0.00 179.01 179.13 1sqr h GLU 34 N -0.11 0.67 0.06 1.92 4.57 -1.63 -3.04 114.58 117.02 1sqr h GLU 34 Ca -0.00 -0.49 -0.00 0.00 -1.18 0.00 0.00 59.36 57.68 1sqr h GLU 34 Cb 0.09 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.77 1sqr h GLU 34 CO 0.01 1.11 -0.03 0.00 -1.18 0.00 0.00 179.01 178.92 1sqr h ALA 35 N 0.77 -1.00 0.00 2.92 0.00 -0.14 -2.05 119.26 119.76 1sqr h ALA 35 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1sqr h ALA 35 Cb 1.26 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1sqr h ALA 35 CO 0.13 -1.00 0.73 1.03 0.00 0.00 0.00 179.25 180.14 1sqr h SER 36 N -0.08 0.00 0.27 0.00 0.87 0.56 0.31 113.55 115.47 1sqr h SER 36 Ca -0.01 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 1sqr h SER 36 Cb 0.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1sqr h SER 36 CO 0.01 0.00 -0.13 0.50 -0.53 0.00 0.00 176.83 176.68 1sqr h LYS 37 N 0.00 -0.35 0.00 2.24 3.11 -1.26 -3.22 116.57 117.09 1sqr h LYS 37 Ca 0.00 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.86 1sqr h LYS 37 Cb 1.45 0.08 0.00 0.00 -1.00 0.00 0.00 32.23 32.76 1sqr h LYS 37 CO 0.00 -0.23 0.00 1.47 -2.81 0.00 0.00 179.45 177.88 1sqr n LEU 38 N -4.17 0.00 0.21 5.20 -0.00 0.03 -3.87 117.00 114.39 1sqr n LEU 38 Ca -0.05 0.00 0.06 0.00 -0.00 0.00 0.00 56.01 56.03 1sqr n LEU 38 Cb 0.14 0.00 0.33 0.00 -0.00 0.00 0.00 43.42 43.90 1sqr n LEU 38 CO 0.11 0.00 0.87 -0.29 -0.00 0.00 0.00 177.39 178.08 1sqr h ILE 39 N 0.00 0.00 0.00 1.47 2.10 -1.38 0.34 117.51 120.04 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 0.00 0.27 0.00 0.00 -1.09 0.00 0.00 36.82 36.00 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 -1.28 1.06 3.69 8.18 0.00 -1.25 -4.26 105.19 111.33 1sqr n GLY 40 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.58 -0.39 0.44 1.61 1.81 0.12 -4.76 118.95 117.20 1sqr s ARG 41 Ca 0.00 0.00 0.06 0.00 -1.72 0.00 0.00 55.73 54.07 1sqr s ARG 41 Cb 0.00 -1.69 0.01 0.00 -0.45 0.00 0.00 34.95 32.83 1sqr s ARG 41 CO 0.00 -3.17 0.61 -1.17 -0.68 0.00 0.00 175.30 170.89 1sqr s LEU 42 N -6.58 3.60 -0.29 2.53 0.20 -1.26 -3.26 118.68 113.61 1sqr s LEU 42 Ca 0.70 -0.30 -0.03 0.00 0.69 0.00 0.00 54.13 55.18 1sqr s LEU 42 Cb -0.11 -2.72 0.11 0.00 -0.43 0.00 0.00 46.19 43.04 1sqr s LEU 42 CO 0.55 -0.82 0.15 0.68 -0.29 0.00 0.00 176.35 176.63 1sqr s VAL 43 N -2.43 -0.10 -0.53 1.68 -7.23 -1.26 -4.69 120.40 105.84 1sqr s VAL 43 Ca 0.55 -0.77 -0.14 0.00 -1.81 0.00 0.00 61.98 59.81 1sqr s VAL 43 Cb -0.10 -0.98 0.13 0.00 0.56 0.00 0.00 36.38 35.98 1sqr s VAL 43 CO 0.34 -0.71 0.46 -0.22 -0.31 0.00 0.00 175.10 174.66 1sqr s LEU 44 N 2.08 6.05 -0.29 1.32 0.20 0.39 -3.52 118.68 124.90 1sqr s LEU 44 Ca 0.09 -1.86 -0.08 0.00 0.69 0.00 0.00 54.13 52.98 1sqr s LEU 44 Cb -0.16 -2.15 -0.01 0.00 -0.43 0.00 0.00 46.19 43.44 1sqr s LEU 44 CO -0.35 -0.80 0.11 0.86 -0.29 0.00 0.00 176.35 175.88 1sqr s TRP 45 N 1.48 3.14 -0.57 5.38 -0.00 -0.80 -3.01 118.94 124.56 1sqr s TRP 45 Ca 0.04 -0.67 -0.26 0.00 -0.00 0.00 0.00 56.10 55.21 1sqr s TRP 45 Cb -0.28 -2.29 0.04 0.00 -0.00 0.00 0.00 33.47 30.94 1sqr s TRP 45 CO 0.02 -0.47 1.04 -1.59 -0.00 0.00 0.00 176.95 175.94 1sqr s LYS 46 N 1.57 3.39 -0.06 5.86 -2.85 -1.26 -2.48 119.74 123.91 1sqr s LYS 46 Ca 0.04 -0.09 -0.30 0.00 -1.00 0.00 0.00 55.97 54.63 1sqr s LYS 46 Cb -0.17 -4.04 -0.05 0.00 -2.06 0.00 0.00 37.83 31.51 1sqr s LYS 46 CO 0.04 -1.57 1.63 0.45 0.10 0.00 0.00 175.35 176.00 1sqr s SER 47 N 2.91 6.68 0.00 0.03 0.15 -0.96 -4.85 113.70 117.67 1sqr s SER 47 Ca 0.35 2.20 0.00 0.00 0.70 0.00 0.00 55.95 59.20 1sqr s SER 47 Cb -0.11 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 1sqr s SER 47 CO 0.21 -0.92 0.87 -0.81 1.20 0.00 0.00 173.24 173.80 1sqr n PRO 48 N 7.11 0.00 0.00 5.44 -0.04 -1.26 -0.86 135.00 145.38 1sqr n PRO 48 Ca 0.17 0.37 0.14 0.00 -0.04 0.00 0.00 63.50 64.14 1sqr n PRO 48 Cb 0.43 -1.50 0.64 0.00 -0.04 0.00 0.00 33.50 33.03 1sqr n PRO 48 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1sqr n SER 49 N -1.37 0.24 -0.31 3.54 2.88 -1.26 -4.91 113.62 112.43 1sqr n SER 49 Ca 0.00 -0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.29 1sqr n SER 49 Cb 0.00 -0.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.28 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 1.33 0.80 3.15 0.46 0.00 -0.04 -5.11 105.19 105.77 1sqr n GLY 50 Ca 0.13 -0.55 0.05 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.67 0.42 -0.48 1.61 2.20 -1.16 -5.04 119.74 115.62 1sqr s LYS 51 Ca 0.00 0.44 -0.28 0.00 -0.36 0.00 0.00 55.97 55.78 1sqr s LYS 51 Cb 0.00 0.21 0.03 0.00 -1.51 0.00 0.00 37.83 36.56 1sqr s LYS 51 CO 0.00 -0.75 1.06 0.42 -0.36 0.00 0.00 175.35 175.72 1sqr s ILE 52 N 2.88 4.30 -0.04 5.43 -1.09 -1.26 -2.26 121.20 129.16 1sqr s ILE 52 Ca 0.16 1.01 -0.01 0.00 -2.23 0.00 0.00 60.65 59.57 1sqr s ILE 52 Cb -0.08 -4.55 -0.04 0.00 -1.58 0.00 0.00 42.46 36.22 1sqr s ILE 52 CO -0.24 -0.96 0.07 -0.76 -1.23 0.00 0.00 174.94 171.81 1sqr s LEU 53 N 4.21 3.88 -0.28 2.97 1.43 -1.04 -4.99 118.68 124.86 1sqr s LEU 53 Ca 0.43 0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.72 1sqr s LEU 53 Cb -0.08 -2.14 0.15 0.00 0.03 0.00 0.00 46.19 44.15 1sqr s LEU 53 CO 0.29 0.31 0.40 -1.59 0.23 0.00 0.00 176.35 176.00 1sqr s LYS 54 N -1.46 0.40 0.00 1.70 -2.85 -1.26 -1.91 119.74 114.36 1sqr s LYS 54 Ca 0.20 0.20 0.00 0.00 -1.00 0.00 0.00 55.97 55.37 1sqr s LYS 54 Cb -0.12 -0.34 0.00 0.00 -2.06 0.00 0.00 37.83 35.31 1sqr s LYS 54 CO 0.10 -0.96 0.00 0.41 0.10 0.00 0.00 175.35 175.00 1sqr n GLY 55 N 5.35 2.72 3.44 0.59 0.00 -1.23 -4.96 105.19 111.10 1sqr n GLY 55 Ca -0.00 -1.75 -0.13 0.00 0.00 0.00 0.00 46.02 44.13 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 4.66 0.63 0.29 1.61 2.20 -1.26 -4.00 119.74 123.87 1sqr s LYS 56 Ca 0.00 0.76 -0.29 0.00 -0.36 0.00 0.00 55.97 56.07 1sqr s LYS 56 Cb 0.00 0.30 -0.10 0.00 -1.51 0.00 0.00 37.83 36.52 1sqr s LYS 56 CO 0.00 -0.08 1.24 0.42 -0.36 0.00 0.00 175.35 176.57 1sqr s ILE 57 N 0.32 3.06 -0.16 5.43 1.01 -1.20 -4.23 121.20 125.42 1sqr s ILE 57 Ca -0.00 1.03 0.08 0.00 0.00 0.00 0.00 60.65 61.76 1sqr s ILE 57 Cb -0.04 -3.65 -0.16 0.00 0.01 0.00 0.00 42.46 38.62 1sqr s ILE 57 CO 0.00 0.23 -0.04 1.33 0.00 0.00 0.00 174.94 176.46 1sqr n VAL 58 N 1.27 1.04 -3.50 2.92 0.24 -1.17 -4.63 118.33 114.50 1sqr n VAL 58 Ca 0.01 -0.54 -0.10 0.00 -2.04 0.00 0.00 64.34 61.67 1sqr n VAL 58 Cb 0.43 -0.84 -0.03 0.00 -1.47 0.00 0.00 33.84 31.93 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 -2.37 0.88 -0.26 7.34 1.70 -1.26 -4.99 118.95 119.99 1sqr s ARG 59 Ca -0.15 -0.20 -0.13 0.00 -0.47 0.00 0.00 55.73 54.78 1sqr s ARG 59 Cb 0.05 0.41 -0.04 0.00 -0.57 0.00 0.00 34.95 34.79 1sqr s ARG 59 CO 0.54 -0.36 0.27 0.54 -1.08 0.00 0.00 175.30 175.20 1sqr s VAL 60 N -2.71 5.26 -0.03 4.99 0.11 -1.26 -1.60 120.40 125.16 1sqr s VAL 60 Ca 0.02 0.36 -0.01 0.00 -2.93 0.00 0.00 61.98 59.42 1sqr s VAL 60 Cb -0.01 -3.60 0.02 0.00 -1.53 0.00 0.00 36.38 31.27 1sqr s VAL 60 CO -0.06 0.24 0.06 -1.00 -3.33 0.00 0.00 175.10 171.00 1sqr s HIS 61 N 1.69 -0.03 0.00 1.54 3.76 -1.23 -4.84 115.29 116.17 1sqr s HIS 61 Ca 0.11 0.20 0.00 0.00 -0.15 0.00 0.00 55.06 55.22 1sqr s HIS 61 Cb -0.15 -0.13 0.00 0.00 1.11 0.00 0.00 32.58 33.40 1sqr s HIS 61 CO 0.09 -0.09 0.00 0.41 -0.85 0.00 0.00 174.74 174.30 1sqr n GLY 62 N 3.88 1.44 1.13 -2.22 0.00 -1.26 -3.98 105.19 104.18 1sqr n GLY 62 Ca -0.23 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 2.61 -2.24 -1.26 -4.52 114.28 108.87 1sqr n THR 63 Ca 0.00 0.27 0.00 0.00 -2.27 0.00 0.00 64.05 62.05 1sqr n THR 63 Cb 0.00 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 67.62 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 -3.50 0.00 0.00 -0.78 4.81 -1.26 -4.24 118.16 113.19 1sqr n LYS 64 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 1sqr n LYS 64 Cb 0.63 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.68 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 0.00 2.04 0.00 3.14 0.00 -1.22 0.13 105.19 109.28 1sqr n GLY 65 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 -4.84 120.51 115.46 1sqr n ALA 66 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1sqr n ALA 66 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 -2.00 0.00 0.33 0.00 -7.23 0.13 -3.55 120.40 108.09 1sqr s VAL 67 Ca 0.00 -0.02 -0.06 0.00 -1.81 0.00 0.00 61.98 60.09 1sqr s VAL 67 Cb 0.00 -0.96 -0.05 0.00 0.56 0.00 0.00 36.38 35.92 1sqr s VAL 67 CO 0.00 -0.01 0.62 -0.60 -0.31 0.00 0.00 175.10 174.80 1sqr s ARG 68 N -0.31 3.67 0.21 4.82 3.52 -0.63 -0.45 118.95 129.78 1sqr s ARG 68 Ca -0.05 0.13 -0.07 0.00 -0.13 0.00 0.00 55.73 55.61 1sqr s ARG 68 Cb -0.03 -2.57 -0.02 0.00 -1.56 0.00 0.00 34.95 30.77 1sqr s ARG 68 CO 0.05 0.13 0.29 0.00 -0.81 0.00 0.00 175.30 174.96 1sqr s ALA 69 N -2.18 0.36 -0.20 6.12 0.00 -0.02 -3.02 121.76 122.82 1sqr s ALA 69 Ca 0.46 -1.19 -0.04 0.00 0.00 0.00 0.00 51.96 51.19 1sqr s ALA 69 Cb -0.11 1.12 0.10 0.00 0.00 0.00 0.00 23.12 24.23 1sqr s ALA 69 CO 0.31 -0.70 0.27 1.03 0.00 0.00 0.00 175.76 176.68 1sqr s ARG 70 N -4.06 0.23 -0.42 0.00 0.52 -1.26 -2.11 118.95 111.85 1sqr s ARG 70 Ca 0.27 0.40 -0.18 0.00 -0.52 0.00 0.00 55.73 55.71 1sqr s ARG 70 Cb 0.03 -0.78 0.02 0.00 0.52 0.00 0.00 34.95 34.74 1sqr s ARG 70 CO 0.08 -0.58 0.45 -0.06 0.02 0.00 0.00 175.30 175.20 1sqr s PHE 71 N 2.41 3.16 -0.80 -0.53 0.40 -1.26 -4.59 117.98 116.77 1sqr s PHE 71 Ca 0.07 -0.36 0.26 0.00 -0.60 0.00 0.00 56.93 56.31 1sqr s PHE 71 Cb -0.15 -2.93 0.80 0.00 0.51 0.00 0.00 43.02 41.25 1sqr s PHE 71 CO -0.12 -0.72 1.70 0.39 0.70 0.00 0.00 175.22 177.17 1sqr n GLU 72 N 5.64 0.19 0.00 0.44 4.71 -1.26 -4.28 120.64 126.08 1sqr n GLU 72 Ca -0.07 0.13 0.00 0.00 -0.01 0.00 0.00 57.16 57.21 1sqr n GLU 72 Cb 0.47 -1.69 0.00 0.00 -1.01 0.00 0.00 31.44 29.21 1sqr n GLU 72 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1sqr n LYS 73 N -2.00 0.00 0.00 3.49 4.76 -1.26 -5.12 118.16 118.03 1sqr n LYS 73 Ca 0.05 0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.61 1sqr n LYS 73 Cb 0.40 -0.60 0.00 0.00 -1.84 0.00 0.00 35.03 33.00 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 2.37 4.28 3.97 0.72 0.00 -1.26 -5.14 105.19 110.13 1sqr n GLY 74 Ca 0.00 -1.47 -0.24 0.00 0.00 0.00 0.00 46.02 44.30 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 2.96 0.00 0.99 1.43 -1.26 -5.03 118.68 117.77 1sqr s LEU 75 Ca 0.00 -0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 1sqr s LEU 75 Cb 0.00 -2.46 0.00 0.00 0.03 0.00 0.00 46.19 43.76 1sqr s LEU 75 CO 0.00 -1.77 0.07 -2.65 0.23 0.00 0.00 176.35 172.23 1sqr n PRO 76 N -2.88 0.00 -3.15 1.29 -0.02 -1.26 -5.02 135.00 123.96 1sqr n PRO 76 Ca 0.12 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.66 1sqr n PRO 76 Cb 0.60 -0.45 -0.01 0.00 -0.02 0.00 0.00 33.50 33.62 1sqr n PRO 76 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1sqr s GLY 77 N -0.57 -0.59 -0.46 -1.23 0.00 -1.26 -5.02 107.32 98.18 1sqr s GLY 77 Ca 0.00 2.54 -0.02 0.00 0.00 0.00 0.00 44.72 47.24 1sqr s GLY 77 CO 0.00 4.03 0.41 -0.18 0.00 0.00 0.00 173.10 177.37 1sqr n GLN 78 N 5.26 -0.96 0.00 2.90 0.00 -1.26 -4.98 117.38 118.34 1sqr n GLN 78 Ca 0.02 0.59 0.03 0.00 -0.00 0.00 0.00 57.00 57.63 1sqr n GLN 78 Cb 0.56 -3.59 0.02 0.00 0.00 0.00 0.00 30.24 27.23 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 -2.05 2.50 -1.57 1.69 0.00 -1.26 -5.01 120.51 114.80 1sqr n ALA 79 Ca -0.02 -0.52 -0.50 0.00 0.00 0.00 0.00 53.44 52.39 1sqr n ALA 79 Cb 0.54 -0.18 -0.06 0.00 0.00 0.00 0.00 19.45 19.75 1sqr n ALA 79 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1sqr n LEU 80 N 0.22 2.67 0.00 0.00 7.94 -1.26 -1.72 117.00 124.86 1sqr n LEU 80 Ca 0.03 0.66 0.00 0.00 -1.11 0.00 0.00 56.01 55.59 1sqr n LEU 80 Cb 0.13 -1.30 0.00 0.00 0.53 0.00 0.00 43.42 42.78 1sqr n LEU 80 CO 0.04 -0.48 0.00 0.61 -1.11 0.00 0.00 177.39 176.45 1sqr n GLY 81 N 5.49 1.44 3.75 -3.96 0.00 -1.26 -5.11 105.19 105.54 1sqr n GLY 81 Ca 0.32 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.45 6.96 0.02 1.61 1.01 -0.70 -4.81 116.67 119.32 1sqr s ASP 82 Ca 0.00 2.41 -0.30 0.00 0.71 0.00 0.00 52.55 55.37 1sqr s ASP 82 Cb 0.00 -2.62 -0.06 0.00 1.01 0.00 0.00 42.92 41.25 1sqr s ASP 82 CO 0.00 -0.44 1.44 -0.31 0.21 0.00 0.00 175.17 176.08 1sqr s TYR 83 N -0.41 2.82 0.25 4.23 1.51 -1.26 -4.15 117.35 120.35 1sqr s TYR 83 Ca 0.52 0.75 -0.03 0.00 -1.01 0.00 0.00 57.07 57.30 1sqr s TYR 83 Cb -0.36 -3.71 -0.05 0.00 -0.11 0.00 0.00 41.96 37.73 1sqr s TYR 83 CO 0.42 -2.68 0.48 0.14 -1.11 0.00 0.00 175.55 172.80 1sqr s VAL 84 N 2.32 5.11 0.16 0.71 -7.23 -0.47 -4.82 120.40 116.17 1sqr s VAL 84 Ca 0.66 -0.16 -0.12 0.00 -1.81 0.00 0.00 61.98 60.55 1sqr s VAL 84 Cb -0.33 -3.74 0.00 0.00 0.56 0.00 0.00 36.38 32.87 1sqr s VAL 84 CO 0.28 -0.27 0.34 -1.61 -0.31 0.00 0.00 175.10 173.53 1sqr s GLU 85 N -3.50 1.18 -1.02 4.82 2.02 -1.25 0.18 118.70 121.12 1sqr s GLU 85 Ca 0.41 -1.05 -0.04 0.00 0.02 0.00 0.00 54.97 54.31 1sqr s GLU 85 Cb -0.11 0.42 0.28 0.00 0.10 0.00 0.00 34.13 34.82 1sqr s GLU 85 CO 0.30 -0.45 1.21 -0.89 0.02 0.00 0.00 175.26 175.45 1sqr n ILE 86 N -0.23 4.50 0.83 -1.63 -0.00 -0.52 -0.46 119.36 121.84 1sqr n ILE 86 Ca -0.09 -5.59 0.10 0.00 -0.00 0.00 0.00 62.75 57.17 1sqr n ILE 86 Cb 0.63 -2.27 0.08 0.00 -0.00 0.00 0.00 39.64 38.08 1sqr n ILE 86 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.55 177.07