#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xlq s LYS 2 N 0.00 4.43 -0.03 1.43 2.20 -1.26 0.07 119.74 126.57 1xlq s LYS 2 Ca 0.00 1.89 0.01 0.00 -0.36 0.00 0.00 55.97 57.51 1xlq s LYS 2 Cb 0.00 -3.28 0.02 0.00 -1.51 0.00 0.00 37.83 33.06 1xlq s LYS 2 CO 0.00 -0.23 -0.03 0.08 -0.36 0.00 0.00 175.35 174.81 1xlq s VAL 3 N 0.59 0.38 -0.14 4.02 1.01 -0.47 -0.03 120.40 125.77 1xlq s VAL 3 Ca 0.58 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.51 1xlq s VAL 3 Cb -0.33 -0.41 0.01 0.00 0.00 0.00 0.00 36.38 35.65 1xlq s VAL 3 CO 0.33 0.17 -0.21 -0.69 0.00 0.00 0.00 175.10 174.70 1xlq s VAL 4 N 0.71 2.14 -0.26 2.92 1.01 -0.32 -0.76 120.40 125.84 1xlq s VAL 4 Ca -0.08 -0.95 -0.07 0.00 0.00 0.00 0.00 61.98 60.87 1xlq s VAL 4 Cb -0.12 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 1xlq s VAL 4 CO -0.00 0.55 0.06 -0.31 0.00 0.00 0.00 175.10 175.40 1xlq s TYR 5 N 0.79 3.09 -0.27 5.22 1.51 -0.06 -0.85 117.35 126.77 1xlq s TYR 5 Ca -0.07 -0.62 -0.11 0.00 -1.01 0.00 0.00 57.07 55.25 1xlq s TYR 5 Cb -0.16 -2.23 -0.05 0.00 -0.11 0.00 0.00 41.96 39.41 1xlq s TYR 5 CO -0.01 -0.44 0.21 0.08 -1.11 0.00 0.00 175.55 174.28 1xlq s VAL 6 N 1.57 5.30 0.90 0.71 1.01 0.34 -0.83 120.40 129.40 1xlq s VAL 6 Ca 0.05 0.23 -0.12 0.00 0.00 0.00 0.00 61.98 62.14 1xlq s VAL 6 Cb -0.16 -3.55 0.13 0.00 0.00 0.00 0.00 36.38 32.80 1xlq s VAL 6 CO 0.03 0.25 1.10 -0.94 0.00 0.00 0.00 175.10 175.53 1xlq s SER 7 N 1.67 3.52 0.53 3.32 1.04 0.21 -0.57 113.70 123.42 1xlq s SER 7 Ca 0.08 1.37 0.23 0.00 0.48 0.00 0.00 55.95 58.11 1xlq s SER 7 Cb -0.16 -2.05 1.39 0.00 0.10 0.00 0.00 66.02 65.30 1xlq s SER 7 CO 0.10 -2.60 2.04 -0.74 0.98 0.00 0.00 173.24 173.03 1xlq h HIS 8 N -1.52 0.00 -0.18 5.02 2.76 -1.81 0.48 115.15 119.90 1xlq h HIS 8 Ca -0.50 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.67 1xlq h HIS 8 Cb 1.29 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.25 1xlq h HIS 8 CO 0.40 0.00 0.00 -0.40 -1.30 0.00 0.00 177.93 176.63 1xlq n ASP 9 N -4.36 1.57 0.00 3.26 5.75 -1.26 -4.92 116.55 116.60 1xlq n ASP 9 Ca 0.06 -1.74 0.00 0.00 -0.01 0.00 0.00 54.79 53.10 1xlq n ASP 9 Cb 0.45 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 1xlq n ASP 9 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xlq n GLY 10 N 1.09 0.65 3.72 6.12 0.00 0.16 -5.05 105.19 111.88 1xlq n GLY 10 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1xlq n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xlq s THR 11 N -2.41 3.30 -0.18 2.61 2.01 -1.26 -4.70 115.64 115.01 1xlq s THR 11 Ca 0.00 0.93 -0.14 0.00 0.31 0.00 0.00 61.69 62.79 1xlq s THR 11 Cb 0.00 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.87 1xlq s THR 11 CO 0.00 0.07 0.31 -0.13 -0.69 0.00 0.00 174.62 174.18 1xlq s ARG 12 N 1.09 4.23 -0.29 4.92 0.52 -1.26 -0.62 118.95 127.53 1xlq s ARG 12 Ca 0.65 0.10 0.02 0.00 -0.52 0.00 0.00 55.73 55.97 1xlq s ARG 12 Cb -0.37 -3.46 0.07 0.00 0.52 0.00 0.00 34.95 31.71 1xlq s ARG 12 CO 0.30 0.15 -0.04 1.03 0.02 0.00 0.00 175.30 176.77 1xlq s ARG 13 N 0.72 2.10 -0.17 3.54 3.00 -0.01 -4.97 118.95 123.18 1xlq s ARG 13 Ca 0.17 -1.47 -0.11 0.00 0.00 0.00 0.00 55.73 54.31 1xlq s ARG 13 Cb -0.13 -3.06 -0.05 0.00 0.00 0.00 0.00 34.95 31.71 1xlq s ARG 13 CO 0.05 -0.69 0.19 -2.00 0.00 0.00 0.00 175.30 172.85 1xlq s GLU 14 N 1.09 4.06 0.13 3.54 2.12 -1.26 -0.89 118.70 127.50 1xlq s GLU 14 Ca -0.03 -0.09 0.06 0.00 0.36 0.00 0.00 54.97 55.27 1xlq s GLU 14 Cb -0.20 -3.37 -0.04 0.00 0.26 0.00 0.00 34.13 30.78 1xlq s GLU 14 CO -0.05 0.38 -0.14 -0.51 -0.54 0.00 0.00 175.26 174.41 1xlq s LEU 15 N 0.08 2.42 -0.39 2.70 1.43 0.06 -5.00 118.68 119.99 1xlq s LEU 15 Ca 0.12 -0.83 -0.10 0.00 -1.03 0.00 0.00 54.13 52.29 1xlq s LEU 15 Cb -0.12 -0.54 0.05 0.00 0.03 0.00 0.00 46.19 45.60 1xlq s LEU 15 CO 0.01 -0.16 0.22 -0.62 0.23 0.00 0.00 176.35 176.04 1xlq s ASP 16 N -2.54 5.68 -0.19 2.29 3.68 -1.26 -1.37 116.67 122.96 1xlq s ASP 16 Ca 0.10 -1.18 -0.06 0.00 2.13 0.00 0.00 52.55 53.54 1xlq s ASP 16 Cb -0.04 -2.00 -0.03 0.00 -1.45 0.00 0.00 42.92 39.39 1xlq s ASP 16 CO 0.03 -0.44 0.03 -0.69 0.13 0.00 0.00 175.17 174.23 1xlq s VAL 17 N 1.50 4.34 0.67 1.11 1.01 0.11 -4.71 120.40 124.43 1xlq s VAL 17 Ca 0.02 -0.19 -0.13 0.00 0.00 0.00 0.00 61.98 61.68 1xlq s VAL 17 Cb -0.21 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.22 1xlq s VAL 17 CO 0.05 0.44 1.07 0.00 0.00 0.00 0.00 175.10 176.66 1xlq s ALA 18 N 0.68 2.59 0.37 5.51 0.00 -1.26 -0.81 121.76 128.84 1xlq s ALA 18 Ca 0.01 0.29 -0.28 0.00 0.00 0.00 0.00 51.96 51.98 1xlq s ALA 18 Cb -0.14 -3.23 -0.11 0.00 0.00 0.00 0.00 23.12 19.64 1xlq s ALA 18 CO 0.02 -1.20 1.50 -0.25 0.00 0.00 0.00 175.76 175.83 1xlq n ASP 19 N -2.74 3.84 0.00 0.00 8.00 -1.26 -2.60 116.55 121.79 1xlq n ASP 19 Ca 0.09 1.22 0.00 0.00 0.71 0.00 0.00 54.79 56.81 1xlq n ASP 19 Cb 0.53 -1.62 0.00 0.00 -0.02 0.00 0.00 41.12 40.00 1xlq n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xlq n GLY 20 N 0.58 1.29 3.77 0.44 0.00 -0.77 -4.98 105.19 105.51 1xlq n GLY 20 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 1xlq n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xlq s VAL 21 N -2.95 5.31 0.63 1.61 1.01 -1.07 -4.83 120.40 120.11 1xlq s VAL 21 Ca 0.00 0.50 -0.13 0.00 0.00 0.00 0.00 61.98 62.35 1xlq s VAL 21 Cb 0.00 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 1xlq s VAL 21 CO 0.00 0.46 1.04 -0.94 0.00 0.00 0.00 175.10 175.66 1xlq s SER 22 N 0.02 5.80 0.51 3.32 1.04 -1.26 -1.34 113.70 121.79 1xlq s SER 22 Ca 0.16 1.62 0.28 0.00 0.48 0.00 0.00 55.95 58.49 1xlq s SER 22 Cb -0.13 -2.50 1.35 0.00 0.10 0.00 0.00 66.02 64.84 1xlq s SER 22 CO 0.05 -1.16 2.01 -0.07 0.98 0.00 0.00 173.24 175.05 1xlq h LEU 23 N -0.18 0.00 -0.11 2.42 4.07 -0.97 -1.62 115.31 118.93 1xlq h LEU 23 Ca -0.45 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.41 1xlq h LEU 23 Cb 1.20 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.95 1xlq h LEU 23 CO 0.59 0.13 -0.32 -0.03 -1.08 0.00 0.00 178.44 177.73 1xlq h MET 24 N 0.00 0.41 -0.37 1.13 4.05 -1.80 -2.12 114.93 116.23 1xlq h MET 24 Ca -0.00 -0.29 0.01 0.00 -0.28 0.00 0.00 59.70 59.13 1xlq h MET 24 Cb 0.45 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.28 1xlq h MET 24 CO 0.02 0.91 0.24 1.96 0.23 0.00 0.00 176.91 180.27 1xlq h GLN 25 N -0.02 0.48 -0.85 0.39 4.20 -1.77 -0.56 115.11 116.97 1xlq h GLN 25 Ca -0.01 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 1xlq h GLN 25 Cb 0.94 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.57 1xlq h GLN 25 CO 0.07 0.32 0.42 0.00 -0.67 0.00 0.00 178.83 178.96 1xlq h ALA 26 N 1.14 1.13 0.37 3.87 0.00 -1.35 -1.28 119.26 123.15 1xlq h ALA 26 Ca 0.14 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1xlq h ALA 26 Cb -0.04 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.41 1xlq h ALA 26 CO -0.04 0.66 -0.18 0.00 0.00 0.00 0.00 179.25 179.69 1xlq h ALA 27 N 1.24 -0.50 -0.01 0.00 0.00 -0.92 -2.76 119.26 116.32 1xlq h ALA 27 Ca 0.29 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1xlq h ALA 27 Cb 0.11 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1xlq h ALA 27 CO -0.04 -0.65 -0.36 -0.39 0.00 0.00 0.00 179.25 177.81 1xlq h VAL 28 N -0.77 1.26 0.00 0.00 -1.51 -1.08 -0.47 116.25 113.69 1xlq h VAL 28 Ca -0.05 -1.25 0.00 0.00 -1.23 0.00 0.00 66.70 64.17 1xlq h VAL 28 Cb 0.52 1.66 0.00 0.00 -2.13 0.00 0.00 31.29 31.34 1xlq h VAL 28 CO 0.08 0.36 0.00 -1.54 -1.23 0.00 0.00 177.57 175.24 1xlq n SER 29 N -4.11 0.22 -0.48 4.19 3.41 -0.49 -3.12 113.62 113.24 1xlq n SER 29 Ca -0.02 0.53 0.08 0.00 -0.26 0.00 0.00 58.87 59.20 1xlq n SER 29 Cb 0.40 -0.59 0.19 0.00 -0.26 0.00 0.00 64.21 63.95 1xlq n SER 29 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1xlq n ASN 30 N -1.72 2.78 -0.15 4.04 3.02 -0.80 -4.99 115.26 117.45 1xlq n ASN 30 Ca 0.05 -3.21 -0.02 0.00 -0.03 0.00 0.00 54.58 51.37 1xlq n ASN 30 Cb 0.30 -0.50 -0.01 0.00 -0.61 0.00 0.00 39.78 38.97 1xlq n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xlq n GLY 31 N -1.09 0.51 2.82 7.41 0.00 -1.09 -4.92 105.19 108.83 1xlq n GLY 31 Ca 0.20 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1xlq n GLY 31 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xlq n ILE 32 N -2.74 4.07 1.31 -0.61 5.41 -0.25 -4.76 119.36 121.79 1xlq n ILE 32 Ca -0.02 -3.96 0.07 0.00 1.00 0.00 0.00 62.75 59.84 1xlq n ILE 32 Cb 0.17 -2.43 0.42 0.00 -0.71 0.00 0.00 39.64 37.08 1xlq n ILE 32 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1xlq n TYR 33 N 4.53 0.00 1.71 1.39 0.53 -1.26 -2.22 117.16 121.85 1xlq n TYR 33 Ca 0.44 0.00 0.13 0.00 -1.02 0.00 0.00 57.90 57.45 1xlq n TYR 33 Cb 0.37 0.00 0.79 0.00 -1.03 0.00 0.00 39.34 39.47 1xlq n TYR 33 CO 0.00 0.00 0.00 -0.40 -1.02 0.00 0.00 176.86 175.44 1xlq n ASP 34 N -0.84 0.00 -4.23 7.72 5.75 -1.26 -4.25 116.55 119.44 1xlq n ASP 34 Ca 0.11 -0.89 -0.33 0.00 -0.01 0.00 0.00 54.79 53.66 1xlq n ASP 34 Cb 0.05 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 39.99 1xlq n ASP 34 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1xlq s ILE 35 N -2.00 2.60 -0.18 2.12 1.01 -0.94 -4.79 121.20 119.01 1xlq s ILE 35 Ca 0.40 -0.77 -0.16 0.00 0.00 0.00 0.00 60.65 60.11 1xlq s ILE 35 Cb 0.18 -2.12 -0.13 0.00 0.01 0.00 0.00 42.46 40.41 1xlq s ILE 35 CO 0.31 0.51 0.06 0.58 0.00 0.00 0.00 174.94 176.39 1xlq h VAL 36 N 5.76 0.54 -3.23 2.92 2.07 -1.32 -3.44 116.25 119.56 1xlq h VAL 36 Ca -0.38 -1.70 -0.22 0.00 0.82 0.00 0.00 66.70 65.22 1xlq h VAL 36 Cb 1.17 1.32 0.06 0.00 -1.52 0.00 0.00 31.29 32.31 1xlq h VAL 36 CO 0.60 0.18 -0.36 0.61 0.02 0.00 0.00 177.57 178.62 1xlq n GLY 37 N 1.51 0.08 0.30 2.17 0.00 -1.07 -4.95 105.19 103.23 1xlq n GLY 37 Ca -0.22 -0.21 0.08 0.00 0.00 0.00 0.00 46.02 45.66 1xlq n GLY 37 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1xlq h ASP 38 N -1.17 0.44 0.89 1.61 -0.00 -1.96 -1.70 116.42 114.54 1xlq h ASP 38 Ca -0.31 0.11 0.00 0.00 -0.00 0.00 0.00 57.03 56.83 1xlq h ASP 38 Cb 1.20 0.05 0.00 0.00 -0.00 0.00 0.00 39.33 40.58 1xlq h ASP 38 CO 0.31 0.16 0.00 0.00 -0.00 0.00 0.00 179.24 179.71 1xlq n GLY 40 N 1.13 0.78 0.00 0.00 0.00 -0.64 -4.46 105.19 102.00 1xlq n GLY 40 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1xlq n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xlq n GLY 41 N -2.15 1.22 1.12 -0.02 0.00 -1.26 -5.02 105.19 99.07 1xlq n GLY 41 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1xlq n GLY 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xlq n SER 42 N 0.00 2.47 -3.82 1.61 3.41 -1.26 -4.84 113.62 111.18 1xlq n SER 42 Ca 0.00 -3.82 -0.26 0.00 -0.26 0.00 0.00 58.87 54.53 1xlq n SER 42 Cb 0.00 -0.61 0.01 0.00 -0.26 0.00 0.00 64.21 63.35 1xlq n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xlq n ALA 43 N -1.11 -2.15 -0.96 7.33 0.00 -1.26 -4.91 120.51 117.46 1xlq n ALA 43 Ca 0.32 -0.23 0.01 0.00 0.00 0.00 0.00 53.44 53.53 1xlq n ALA 43 Cb 0.97 -2.25 0.02 0.00 0.00 0.00 0.00 19.45 18.18 1xlq n ALA 43 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1xlq n SER 44 N -2.93 0.76 0.00 0.00 7.64 -1.26 -4.68 113.62 113.15 1xlq n SER 44 Ca -0.26 -1.69 0.00 0.00 1.01 0.00 0.00 58.87 57.94 1xlq n SER 44 Cb 0.66 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 1xlq n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xlq n ALA 46 N -0.41 -0.05 -0.46 0.00 0.00 -1.26 -4.91 120.51 113.41 1xlq n ALA 46 Ca 0.00 0.06 0.06 0.00 0.00 0.00 0.00 53.44 53.56 1xlq n ALA 46 Cb 0.00 -0.78 0.32 0.00 0.00 0.00 0.00 19.45 19.00 1xlq n ALA 46 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xlq n THR 47 N -2.70 2.04 -1.50 0.00 -2.24 -1.26 -3.77 114.28 104.85 1xlq n THR 47 Ca -0.03 -1.10 0.07 0.00 -2.27 0.00 0.00 64.05 60.72 1xlq n THR 47 Cb 0.21 -0.20 0.14 0.00 -2.10 0.00 0.00 70.33 68.38 1xlq n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xlq n HIS 49 N -0.99 2.72 -3.98 0.00 -0.00 -1.25 -1.37 115.22 110.36 1xlq n HIS 49 Ca 0.14 0.11 -0.09 0.00 -0.00 0.00 0.00 57.72 57.89 1xlq n HIS 49 Cb 0.71 -2.65 -0.08 0.00 -0.00 0.00 0.00 29.99 27.97 1xlq n HIS 49 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 1xlq s VAL 50 N 0.90 0.14 -0.32 3.57 -7.23 -0.06 -4.31 120.40 113.09 1xlq s VAL 50 Ca 0.73 -1.50 -0.07 0.00 -1.81 0.00 0.00 61.98 59.33 1xlq s VAL 50 Cb -0.52 -1.59 0.02 0.00 0.56 0.00 0.00 36.38 34.85 1xlq s VAL 50 CO 0.36 -0.65 0.11 -0.31 -0.31 0.00 0.00 175.10 174.30 1xlq s TYR 51 N -3.93 3.19 0.10 2.82 4.12 0.33 -0.89 117.35 123.09 1xlq s TYR 51 Ca 0.11 -1.09 -0.30 0.00 0.02 0.00 0.00 57.07 55.81 1xlq s TYR 51 Cb 0.06 -2.29 -0.06 0.00 -1.52 0.00 0.00 41.96 38.15 1xlq s TYR 51 CO -0.07 -0.62 1.15 0.08 0.02 0.00 0.00 175.55 176.11 1xlq s VAL 52 N 1.48 4.03 0.29 0.71 1.01 0.04 -0.52 120.40 127.44 1xlq s VAL 52 Ca 0.01 1.54 -0.29 0.00 0.00 0.00 0.00 61.98 63.25 1xlq s VAL 52 Cb -0.18 -3.99 -0.13 0.00 0.00 0.00 0.00 36.38 32.08 1xlq s VAL 52 CO 0.03 0.17 1.17 -3.20 0.00 0.00 0.00 175.10 173.27 1xlq n ASN 53 N 3.42 2.02 0.16 3.32 2.85 -0.17 -4.73 115.26 122.12 1xlq n ASN 53 Ca 0.07 1.18 0.18 0.00 -0.11 0.00 0.00 54.58 55.90 1xlq n ASN 53 Cb 0.47 -1.37 0.80 0.00 1.24 0.00 0.00 39.78 40.91 1xlq n ASN 53 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 1xlq h GLU 54 N 2.60 0.00 -0.00 1.20 3.07 -1.92 0.14 114.58 119.66 1xlq h GLU 54 Ca -0.43 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.43 1xlq h GLU 54 Cb 1.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.22 1xlq h GLU 54 CO 0.64 0.00 -0.06 0.00 -1.40 0.00 0.00 179.01 178.19 1xlq n ALA 55 N -2.33 2.66 0.02 3.43 0.00 -1.26 -3.87 120.51 119.16 1xlq n ALA 55 Ca 0.04 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1xlq n ALA 55 Cb 0.44 -1.40 -0.00 0.00 0.00 0.00 0.00 19.45 18.48 1xlq n ALA 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1xlq n PHE 56 N -1.03 0.00 -0.34 0.00 3.01 0.01 -4.76 117.46 114.35 1xlq n PHE 56 Ca 0.16 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.68 1xlq n PHE 56 Cb 0.25 -0.00 0.22 0.00 -0.01 0.00 0.00 39.48 39.94 1xlq n PHE 56 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1xlq h THR 57 N 0.00 0.91 0.00 4.37 1.35 -1.60 -0.52 112.91 117.41 1xlq h THR 57 Ca 0.00 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 1xlq h THR 57 Cb 0.01 -0.11 0.00 0.00 -1.73 0.00 0.00 68.15 66.33 1xlq h THR 57 CO 0.00 0.17 0.00 -0.90 -0.25 0.00 0.00 175.52 174.54 1xlq n ASP 58 N -4.66 0.00 0.02 5.36 5.68 -1.26 -2.73 116.55 118.96 1xlq n ASP 58 Ca 0.18 -0.69 0.11 0.00 -0.50 0.00 0.00 54.79 53.89 1xlq n ASP 58 Cb 0.34 -0.08 -0.01 0.00 -1.14 0.00 0.00 41.12 40.22 1xlq n ASP 58 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1xlq n LYS 59 N -1.08 0.29 -3.77 0.11 5.02 -0.22 -4.89 118.16 113.62 1xlq n LYS 59 Ca 0.20 -0.02 -0.36 0.00 -2.02 0.00 0.00 58.31 56.10 1xlq n LYS 59 Cb 0.14 -1.57 -0.07 0.00 -0.02 0.00 0.00 35.03 33.51 1xlq n LYS 59 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1xlq s VAL 60 N -3.20 5.43 0.30 -0.18 1.01 -1.10 -4.95 120.40 117.70 1xlq s VAL 60 Ca 0.03 0.26 -0.30 0.00 0.00 0.00 0.00 61.98 61.98 1xlq s VAL 60 Cb 0.15 -3.46 -0.12 0.00 0.00 0.00 0.00 36.38 32.94 1xlq s VAL 60 CO 0.82 0.52 1.45 -2.65 0.00 0.00 0.00 175.10 175.24 1xlq n PRO 61 N 2.74 2.33 -0.92 2.72 -0.02 -1.26 -4.92 135.00 135.68 1xlq n PRO 61 Ca -0.17 0.83 -0.32 0.00 -2.02 0.00 0.00 63.50 61.81 1xlq n PRO 61 Cb 0.53 -2.51 0.14 0.00 -0.02 0.00 0.00 33.50 31.64 1xlq n PRO 61 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xlq s ALA 62 N -0.41 1.70 0.37 3.55 0.00 -1.26 -4.94 121.76 120.77 1xlq s ALA 62 Ca 0.62 0.64 -0.28 0.00 0.00 0.00 0.00 51.96 52.94 1xlq s ALA 62 Cb -0.56 -3.44 -0.11 0.00 0.00 0.00 0.00 23.12 19.00 1xlq s ALA 62 CO 0.54 -2.47 1.49 0.00 0.00 0.00 0.00 175.76 175.32 1xlq s ALA 63 N -2.50 3.58 0.86 0.00 0.00 -1.26 -5.02 121.76 117.42 1xlq s ALA 63 Ca 0.68 1.56 -0.09 0.00 0.00 0.00 0.00 51.96 54.11 1xlq s ALA 63 Cb -0.24 -3.61 0.17 0.00 0.00 0.00 0.00 23.12 19.45 1xlq s ALA 63 CO 0.55 -1.03 1.18 0.54 0.00 0.00 0.00 175.76 177.00 1xlq s ASN 64 N -0.11 3.60 0.23 0.00 2.20 -1.26 -4.79 114.94 114.81 1xlq s ASN 64 Ca 0.53 -0.06 -0.06 0.00 -0.94 0.00 0.00 52.86 52.33 1xlq s ASN 64 Cb -0.46 -0.10 0.35 0.00 -2.00 0.00 0.00 41.25 39.04 1xlq s ASN 64 CO 0.62 -2.39 1.78 -0.08 -2.94 0.00 0.00 177.10 174.09 1xlq h GLU 65 N -1.17 0.62 -0.42 3.55 4.81 -1.99 -1.05 114.58 118.93 1xlq h GLU 65 Ca -0.40 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 58.76 1xlq h GLU 65 Cb 1.24 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.47 1xlq h GLU 65 CO 0.37 0.41 0.14 -0.09 -0.73 0.00 0.00 179.01 179.12 1xlq h ARG 66 N 0.64 0.65 -0.58 1.92 2.43 -1.93 -2.13 114.38 115.38 1xlq h ARG 66 Ca 0.36 -0.13 -0.09 0.00 -0.81 0.00 0.00 59.98 59.31 1xlq h ARG 66 Cb 0.38 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 1xlq h ARG 66 CO -0.27 0.63 0.02 1.49 -1.51 0.00 0.00 179.97 180.34 1xlq h GLU 67 N 0.54 1.01 -0.70 0.20 4.81 -1.70 -1.56 114.58 117.18 1xlq h GLU 67 Ca 0.14 -0.31 0.04 0.00 -0.13 0.00 0.00 59.36 59.09 1xlq h GLU 67 Cb 0.24 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.48 1xlq h GLU 67 CO -0.01 0.99 0.43 0.82 -0.73 0.00 0.00 179.01 180.52 1xlq h ILE 68 N 0.91 1.07 -0.22 2.32 1.08 -1.10 -0.25 117.51 121.32 1xlq h ILE 68 Ca 0.17 -0.28 -0.01 0.00 -0.39 0.00 0.00 64.86 64.34 1xlq h ILE 68 Cb 0.52 0.17 -0.01 0.00 -3.07 0.00 0.00 36.82 34.43 1xlq h ILE 68 CO 0.03 0.15 0.09 1.23 -0.69 0.00 0.00 178.15 178.95 1xlq h GLY 69 N 0.83 0.35 1.74 5.37 0.00 -1.09 -3.08 103.07 107.18 1xlq h GLY 69 Ca 0.29 -0.19 -0.07 0.00 0.00 0.00 0.00 47.33 47.36 1xlq h GLY 69 CO -0.12 0.18 -0.21 -0.33 0.00 0.00 0.00 176.54 176.05 1xlq h MET 70 N 0.20 0.31 0.00 4.80 2.86 -0.93 -2.61 114.93 119.56 1xlq h MET 70 Ca 0.07 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1xlq h MET 70 Cb 0.17 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.80 1xlq h MET 70 CO -0.01 0.52 0.00 -0.07 1.06 0.00 0.00 176.91 178.41 1xlq h LEU 71 N 0.29 0.00 0.00 1.22 3.38 -0.95 0.10 115.31 119.35 1xlq h LEU 71 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1xlq h LEU 71 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1xlq h LEU 71 CO 0.04 0.00 0.00 1.21 0.09 0.00 0.00 178.44 179.78 1xlq n GLU 72 N -2.99 0.05 -0.17 1.13 4.07 -0.98 -2.74 120.64 119.00 1xlq n GLU 72 Ca -0.02 0.20 0.05 0.00 -0.06 0.00 0.00 57.16 57.32 1xlq n GLU 72 Cb 0.09 -1.50 0.13 0.00 -0.06 0.00 0.00 31.44 30.10 1xlq n GLU 72 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1xlq n SER 73 N -1.46 2.83 -4.76 4.31 7.64 0.36 -5.02 113.62 117.52 1xlq n SER 73 Ca 0.05 -2.14 -0.38 0.00 1.01 0.00 0.00 58.87 57.40 1xlq n SER 73 Cb 0.18 -0.22 0.03 0.00 -1.01 0.00 0.00 64.21 63.18 1xlq n SER 73 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1xlq s VAL 74 N -1.25 2.25 -0.04 0.44 -7.23 -1.11 -4.93 120.40 108.53 1xlq s VAL 74 Ca 0.21 0.19 0.03 0.00 -1.81 0.00 0.00 61.98 60.60 1xlq s VAL 74 Cb 0.12 -3.10 -0.25 0.00 0.56 0.00 0.00 36.38 33.72 1xlq s VAL 74 CO 0.12 0.00 0.67 0.74 -0.31 0.00 0.00 175.10 176.32 1xlq h THR 75 N 1.67 0.91 -4.27 5.32 2.02 -1.85 -3.46 112.91 113.25 1xlq h THR 75 Ca -0.51 -2.67 -0.47 0.00 0.77 0.00 0.00 66.41 63.53 1xlq h THR 75 Cb 1.29 2.55 0.08 0.00 -1.74 0.00 0.00 68.15 70.33 1xlq h THR 75 CO 0.58 0.70 0.34 0.00 0.37 0.00 0.00 175.52 177.52 1xlq s ALA 76 N -2.60 2.91 0.20 6.16 0.00 -1.26 -4.97 121.76 122.20 1xlq s ALA 76 Ca -0.10 -0.64 -0.33 0.00 0.00 0.00 0.00 51.96 50.89 1xlq s ALA 76 Cb 0.07 -2.85 -0.13 0.00 0.00 0.00 0.00 23.12 20.21 1xlq s ALA 76 CO 0.82 -1.35 1.60 -1.91 0.00 0.00 0.00 175.76 174.92 1xlq n GLU 77 N -3.06 2.37 -2.62 0.00 2.13 -1.26 -4.94 120.64 113.26 1xlq n GLU 77 Ca 0.07 0.85 -0.42 0.00 0.66 0.00 0.00 57.16 58.32 1xlq n GLU 77 Cb 0.60 -2.63 -0.03 0.00 0.27 0.00 0.00 31.44 29.65 1xlq n GLU 77 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1xlq s LEU 78 N 0.74 4.32 0.31 4.31 2.96 -1.26 -5.02 118.68 125.05 1xlq s LEU 78 Ca 0.75 1.70 0.09 0.00 -0.22 0.00 0.00 54.13 56.45 1xlq s LEU 78 Cb -0.61 -3.57 -0.06 0.00 0.50 0.00 0.00 46.19 42.46 1xlq s LEU 78 CO 0.39 -0.40 -0.11 -0.54 -1.32 0.00 0.00 176.35 174.36 1xlq s LYS 79 N 1.52 1.71 0.55 1.98 1.02 -1.26 -5.02 119.74 120.23 1xlq s LYS 79 Ca 0.53 -1.85 0.24 0.00 0.02 0.00 0.00 55.97 54.90 1xlq s LYS 79 Cb -0.22 -1.56 1.45 0.00 -0.52 0.00 0.00 37.83 36.98 1xlq s LYS 79 CO 0.24 0.16 2.09 -1.35 -0.92 0.00 0.00 175.35 175.57 1xlq h PRO 80 N 2.15 0.00 -0.64 -1.68 0.11 -2.01 -1.06 132.00 128.88 1xlq h PRO 80 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1xlq h PRO 80 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1xlq h PRO 80 CO 0.67 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.73 1xlq n ASN 81 N -4.24 4.69 -4.74 -2.05 6.94 -1.26 -4.96 115.26 109.64 1xlq n ASN 81 Ca 0.03 -2.57 -0.41 0.00 -0.02 0.00 0.00 54.58 51.61 1xlq n ASN 81 Cb 0.33 -0.60 -0.03 0.00 -2.36 0.00 0.00 39.78 37.13 1xlq n ASN 81 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1xlq s SER 82 N -0.79 6.96 0.07 0.53 0.01 -0.40 -0.78 113.70 119.29 1xlq s SER 82 Ca 0.47 2.38 -0.10 0.00 1.31 0.00 0.00 55.95 60.02 1xlq s SER 82 Cb 0.33 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.94 1xlq s SER 82 CO 0.19 -0.46 0.20 -0.13 0.41 0.00 0.00 173.24 173.46 1xlq s ARG 83 N -0.43 0.79 -0.41 12.44 1.81 -0.07 -4.92 118.95 128.15 1xlq s ARG 83 Ca 0.54 -0.79 -0.18 0.00 -1.72 0.00 0.00 55.73 53.59 1xlq s ARG 83 Cb -0.36 0.32 0.02 0.00 -0.45 0.00 0.00 34.95 34.48 1xlq s ARG 83 CO 0.40 -0.24 0.46 -0.51 -0.68 0.00 0.00 175.30 174.72 1xlq s LEU 84 N -2.49 4.73 0.00 2.53 1.43 -1.26 -0.88 118.68 122.73 1xlq s LEU 84 Ca 0.00 -0.53 0.08 0.00 -1.03 0.00 0.00 54.13 52.65 1xlq s LEU 84 Cb 0.02 -2.44 0.37 0.00 0.03 0.00 0.00 46.19 44.17 1xlq s LEU 84 CO -0.08 -0.57 1.21 0.00 0.23 0.00 0.00 176.35 177.14 1xlq n GLN 87 N -1.76 0.63 -3.44 0.00 1.13 -0.18 -4.79 117.38 108.97 1xlq n GLN 87 Ca 0.04 -0.44 -0.43 0.00 -1.94 0.00 0.00 57.00 54.23 1xlq n GLN 87 Cb 0.24 -1.49 -0.10 0.00 0.11 0.00 0.00 30.24 29.01 1xlq n GLN 87 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1xlq s ILE 88 N -2.68 5.24 -0.19 5.09 1.01 -0.93 -4.99 121.20 123.75 1xlq s ILE 88 Ca 0.17 -0.67 -0.14 0.00 0.00 0.00 0.00 60.65 60.01 1xlq s ILE 88 Cb 0.18 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 1xlq s ILE 88 CO 0.63 -0.36 0.30 -0.63 0.00 0.00 0.00 174.94 174.88 1xlq s ILE 89 N 1.73 5.28 0.32 2.92 -1.09 -1.26 -1.15 121.20 127.95 1xlq s ILE 89 Ca 0.06 0.53 -0.29 0.00 -2.23 0.00 0.00 60.65 58.72 1xlq s ILE 89 Cb -0.19 -3.64 -0.10 0.00 -1.58 0.00 0.00 42.46 36.95 1xlq s ILE 89 CO 0.10 0.34 1.26 -0.32 -1.23 0.00 0.00 174.94 175.08 1xlq s MET 90 N 0.84 4.42 0.10 2.79 1.75 -0.45 -4.87 119.30 123.88 1xlq s MET 90 Ca 0.16 2.12 -0.06 0.00 -1.25 0.00 0.00 55.69 56.65 1xlq s MET 90 Cb -0.14 -3.10 -0.02 0.00 2.84 0.00 0.00 34.83 34.42 1xlq s MET 90 CO 0.05 -0.09 0.14 0.95 -0.65 0.00 0.00 175.02 175.42 1xlq s THR 91 N -1.14 0.14 0.51 10.11 -4.23 -1.26 -1.86 115.64 117.91 1xlq s THR 91 Ca 0.48 -1.44 0.16 0.00 -1.18 0.00 0.00 61.69 59.71 1xlq s THR 91 Cb -0.38 -1.55 0.28 0.00 1.34 0.00 0.00 72.50 72.20 1xlq s THR 91 CO 0.50 -0.65 2.12 -0.65 -0.54 0.00 0.00 174.62 175.40 1xlq h PRO 92 N 2.82 0.07 0.00 3.99 0.11 -1.96 -1.30 132.00 135.73 1xlq h PRO 92 Ca -0.34 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1xlq h PRO 92 Cb 1.19 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1xlq h PRO 92 CO 0.57 0.05 0.00 0.93 -0.21 0.00 0.00 178.00 179.34 1xlq h GLU 93 N 0.07 0.00 -0.45 1.05 3.07 -1.99 -1.42 114.58 114.91 1xlq h GLU 93 Ca 0.05 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 1xlq h GLU 93 Cb 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.01 1xlq h GLU 93 CO -0.01 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.88 1xlq n LEU 94 N -2.86 3.24 -4.63 1.33 4.77 -0.49 -4.98 117.00 113.39 1xlq n LEU 94 Ca -0.01 -1.48 -0.51 0.00 -0.03 0.00 0.00 56.01 53.98 1xlq n LEU 94 Cb 0.17 -0.30 -0.06 0.00 -2.33 0.00 0.00 43.42 40.91 1xlq n LEU 94 CO 0.21 0.74 1.04 -0.67 -1.33 0.00 0.00 177.39 177.38 1xlq n ASP 95 N 1.32 2.12 0.00 -1.43 -0.08 -0.54 -1.01 116.55 116.94 1xlq n ASP 95 Ca 0.20 1.10 0.00 0.00 -1.51 0.00 0.00 54.79 54.58 1xlq n ASP 95 Cb 0.55 -1.24 0.00 0.00 2.34 0.00 0.00 41.12 42.77 1xlq n ASP 95 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1xlq n GLY 96 N 2.99 0.85 3.68 0.27 0.00 0.96 -4.89 105.19 109.05 1xlq n GLY 96 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 1xlq n GLY 96 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1xlq n ILE 97 N -2.00 1.59 -5.13 -0.61 3.06 -0.18 -4.73 119.36 111.36 1xlq n ILE 97 Ca 0.00 -0.40 -0.32 0.00 -2.50 0.00 0.00 62.75 59.53 1xlq n ILE 97 Cb 0.00 -1.51 -0.16 0.00 0.54 0.00 0.00 39.64 38.51 1xlq n ILE 97 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 1xlq s VAL 98 N -0.69 2.35 0.01 9.51 1.01 -1.26 -1.18 120.40 130.16 1xlq s VAL 98 Ca 0.60 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.68 1xlq s VAL 98 Cb -0.60 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 1xlq s VAL 98 CO 0.57 0.56 -0.13 0.68 0.00 0.00 0.00 175.10 176.78 1xlq s VAL 99 N -0.08 1.04 -0.19 2.92 -7.23 -0.03 -1.00 120.40 115.82 1xlq s VAL 99 Ca -0.05 -0.76 -0.07 0.00 -1.81 0.00 0.00 61.98 59.29 1xlq s VAL 99 Cb -0.14 -0.91 -0.04 0.00 0.56 0.00 0.00 36.38 35.85 1xlq s VAL 99 CO 0.04 0.14 0.06 -1.81 -0.31 0.00 0.00 175.10 173.23 1xlq s ASP 100 N -0.71 5.55 -0.18 4.85 -0.00 0.32 -0.50 116.67 126.00 1xlq s ASP 100 Ca 0.03 0.03 -0.16 0.00 -0.00 0.00 0.00 52.55 52.45 1xlq s ASP 100 Cb -0.06 -1.96 -0.04 0.00 -0.00 0.00 0.00 42.92 40.86 1xlq s ASP 100 CO 0.00 0.14 0.41 -0.69 -0.00 0.00 0.00 175.17 175.04 1xlq s VAL 101 N 0.57 5.20 1.11 -1.27 1.01 0.26 -0.51 120.40 126.78 1xlq s VAL 101 Ca 0.03 0.76 -0.13 0.00 0.00 0.00 0.00 61.98 62.64 1xlq s VAL 101 Cb -0.13 -3.75 0.25 0.00 0.00 0.00 0.00 36.38 32.76 1xlq s VAL 101 CO 0.01 0.27 1.05 -2.16 0.00 0.00 0.00 175.10 174.28 1xlq s PRO 102 N 1.12 -0.48 0.00 2.72 0.04 -1.26 -3.09 135.00 134.06 1xlq s PRO 102 Ca 0.21 0.68 0.25 0.00 0.04 0.00 0.00 61.00 62.18 1xlq s PRO 102 Cb -0.15 -1.62 1.10 0.00 0.04 0.00 0.00 34.50 33.88 1xlq s PRO 102 CO 0.08 -3.39 1.82 -0.40 0.04 0.00 0.00 177.00 175.15 1xlq n ASP 103 N -4.66 0.00 -3.74 6.66 5.75 -1.26 -4.66 116.55 114.65 1xlq n ASP 103 Ca 0.04 0.45 -0.12 0.00 -0.01 0.00 0.00 54.79 55.14 1xlq n ASP 103 Cb 0.56 -0.48 -0.08 0.00 -1.03 0.00 0.00 41.12 40.09 1xlq n ASP 103 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xlq s ARG 104 N -2.96 0.79 0.00 0.11 1.70 -1.26 -5.06 118.95 112.26 1xlq s ARG 104 Ca 0.13 -0.38 0.00 0.00 -0.47 0.00 0.00 55.73 55.01 1xlq s ARG 104 Cb 0.17 0.35 0.00 0.00 -0.57 0.00 0.00 34.95 34.89 1xlq s ARG 104 CO 0.46 -0.25 0.00 1.04 -1.08 0.00 0.00 175.30 175.47 1xlq n GLN 105 N 0.77 0.00 0.00 3.89 1.13 -1.26 -4.21 117.38 117.69 1xlq n GLN 105 Ca -0.19 0.00 0.10 0.00 -1.94 0.00 0.00 57.00 54.97 1xlq n GLN 105 Cb 0.58 -0.72 0.61 0.00 0.11 0.00 0.00 30.24 30.83 1xlq n GLN 105 CO 0.00 0.00 0.00 0.91 -1.44 0.00 0.00 177.06 176.53