#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3laq n GLU 9 N 0.00 0.65 0.00 -0.67 2.13 -1.26 -4.99 120.64 116.50 3laq n GLU 9 Ca 0.00 -2.58 0.00 0.00 0.66 0.00 0.00 57.16 55.24 3laq n GLU 9 Cb 0.00 -1.38 0.00 0.00 0.27 0.00 0.00 31.44 30.33 3laq n GLU 9 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 3laq n SER 10 N 1.81 0.00 0.00 4.31 3.41 -1.26 -4.46 113.62 117.43 3laq n SER 10 Ca 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 3laq n SER 10 Cb 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 3laq n SER 10 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3laq n ASN 11 N -1.77 0.00 -4.54 4.04 5.15 -1.26 -4.79 115.26 112.08 3laq n ASN 11 Ca 0.00 0.00 -0.60 0.00 -0.60 0.00 0.00 54.58 53.38 3laq n ASN 11 Cb 0.00 0.00 -0.08 0.00 -0.53 0.00 0.00 39.78 39.17 3laq n ASN 11 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3laq n GLY 13 N 1.91 0.00 0.00 0.00 0.00 -1.26 -4.77 105.19 101.08 3laq n GLY 13 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3laq n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3laq s GLN 15 N 0.00 1.96 4.47 0.00 -0.21 0.11 -4.77 119.66 121.22 3laq s GLN 15 Ca 0.00 -2.11 0.00 0.00 0.02 0.00 0.00 55.36 53.27 3laq s GLN 15 Cb 0.00 -1.64 0.00 0.00 1.00 0.00 0.00 33.01 32.37 3laq s GLN 15 CO 0.00 -0.06 0.00 0.09 -2.12 0.00 0.00 175.29 173.20 3laq n ASN 16 N -0.98 0.00 0.00 5.90 3.02 -1.26 -4.28 115.26 117.66 3laq n ASN 16 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 3laq n ASN 16 Cb 0.67 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.84 3laq n ASN 16 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3laq n GLY 17 N 0.00 0.36 1.88 7.41 0.00 -1.26 -4.18 105.19 109.41 3laq n GLY 17 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3laq n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3laq n GLY 18 N 4.37 -5.11 3.22 -0.02 0.00 -1.25 -4.07 105.19 102.32 3laq n GLY 18 Ca 0.00 -0.39 -0.23 0.00 0.00 0.00 0.00 46.02 45.40 3laq n GLY 18 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3laq s VAL 19 N -1.59 1.47 0.60 1.61 -7.23 -0.90 -4.63 120.40 109.73 3laq s VAL 19 Ca 0.00 -1.16 -0.19 0.00 -1.81 0.00 0.00 61.98 58.82 3laq s VAL 19 Cb 0.00 -1.30 -0.03 0.00 0.56 0.00 0.00 36.38 35.61 3laq s VAL 19 CO 0.00 0.11 1.20 0.00 -0.31 0.00 0.00 175.10 176.10 3laq s VAL 21 N -1.64 -0.83 0.71 0.00 0.11 -1.12 -4.93 120.40 112.70 3laq s VAL 21 Ca 0.77 -0.07 -0.04 0.00 -2.93 0.00 0.00 61.98 59.71 3laq s VAL 21 Cb -0.30 -0.95 0.09 0.00 -1.53 0.00 0.00 36.38 33.70 3laq s VAL 21 CO 0.33 -0.08 0.99 -0.94 -3.33 0.00 0.00 175.10 172.07 3laq s SER 22 N 2.72 4.55 -0.41 3.54 1.04 -1.26 -0.98 113.70 122.90 3laq s SER 22 Ca 0.15 0.03 0.02 0.00 0.48 0.00 0.00 55.95 56.62 3laq s SER 22 Cb -0.14 -0.57 0.15 0.00 0.10 0.00 0.00 66.02 65.57 3laq s SER 22 CO -0.22 -1.72 0.26 -0.31 0.98 0.00 0.00 173.24 172.23 3laq s TYR 23 N -3.17 1.28 0.00 5.02 2.02 -1.12 -4.83 117.35 116.55 3laq s TYR 23 Ca 0.63 -2.09 0.00 0.00 -0.37 0.00 0.00 57.07 55.24 3laq s TYR 23 Cb -0.08 -1.26 0.00 0.00 -0.40 0.00 0.00 41.96 40.23 3laq s TYR 23 CO 0.44 -0.80 0.00 1.17 -1.57 0.00 0.00 175.55 174.79 3laq n LYS 24 N 3.51 0.00 0.00 -0.62 4.81 -1.26 -0.31 118.16 124.29 3laq n LYS 24 Ca 0.16 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.65 3laq n LYS 24 Cb 0.39 0.00 0.30 0.00 0.02 0.00 0.00 35.03 35.74 3laq n LYS 24 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3laq n TYR 25 N -0.90 0.00 -3.09 5.64 4.01 -1.26 -4.08 117.16 117.48 3laq n TYR 25 Ca 0.00 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.57 3laq n TYR 25 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.01 3laq n TYR 25 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3laq n PHE 26 N -0.66 0.57 -4.24 -0.72 3.01 0.58 -4.94 117.46 111.06 3laq n PHE 26 Ca 0.08 -3.68 -0.37 0.00 1.01 0.00 0.00 57.45 54.49 3laq n PHE 26 Cb 0.04 -0.41 -0.06 0.00 -0.01 0.00 0.00 39.48 39.03 3laq n PHE 26 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3laq n SER 27 N 0.19 -0.83 -3.73 4.37 7.64 -1.26 -2.42 113.62 117.58 3laq n SER 27 Ca 0.23 -1.29 -0.24 0.00 1.01 0.00 0.00 58.87 58.58 3laq n SER 27 Cb 0.67 -1.60 0.01 0.00 -1.01 0.00 0.00 64.21 62.28 3laq n SER 27 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 3laq n ARG 28 N -4.77 -0.67 -3.12 1.43 0.00 -1.21 -4.87 116.66 103.46 3laq n ARG 28 Ca -0.25 0.03 -0.42 0.00 -0.00 0.00 0.00 57.85 57.21 3laq n ARG 28 Cb 0.65 -1.18 -0.07 0.00 -0.00 0.00 0.00 32.46 31.86 3laq n ARG 28 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 3laq s ILE 29 N -3.60 4.89 0.71 8.89 2.07 -1.01 -4.58 121.20 128.56 3laq s ILE 29 Ca 0.20 0.53 -0.11 0.00 -1.41 0.00 0.00 60.65 59.86 3laq s ILE 29 Cb -0.11 -4.08 0.02 0.00 0.13 0.00 0.00 42.46 38.41 3laq s ILE 29 CO 0.58 -0.34 1.07 -0.13 -1.91 0.00 0.00 174.94 174.21 3laq s ARG 30 N 2.70 2.77 0.12 3.50 0.52 -1.26 -2.79 118.95 124.52 3laq s ARG 30 Ca 0.24 1.03 0.01 0.00 -0.52 0.00 0.00 55.73 56.49 3laq s ARG 30 Cb -0.14 -1.97 -0.00 0.00 0.52 0.00 0.00 34.95 33.36 3laq s ARG 30 CO 0.15 -1.23 0.15 -2.13 0.02 0.00 0.00 175.30 172.26 3laq n ARG 31 N -3.16 0.22 -2.85 3.54 0.63 -0.15 -4.89 116.66 110.00 3laq n ARG 31 Ca 0.08 -1.08 -0.10 0.00 -0.92 0.00 0.00 57.85 55.83 3laq n ARG 31 Cb 0.53 0.98 0.02 0.00 0.45 0.00 0.00 32.46 34.44 3laq n ARG 31 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3laq n SER 33 N 2.00 2.50 -4.93 0.00 3.41 -1.15 -4.71 113.62 110.74 3laq n SER 33 Ca 0.14 0.10 -0.25 0.00 -0.26 0.00 0.00 58.87 58.60 3laq n SER 33 Cb 0.59 -1.43 -0.01 0.00 -0.26 0.00 0.00 64.21 63.10 3laq n SER 33 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3laq s PRO 35 N -4.48 -1.05 0.13 0.00 0.04 -1.26 -4.80 135.00 123.58 3laq s PRO 35 Ca 0.43 0.02 -0.18 0.00 0.04 0.00 0.00 61.00 61.31 3laq s PRO 35 Cb -0.10 -1.61 -0.03 0.00 0.04 0.00 0.00 34.50 32.80 3laq s PRO 35 CO 0.39 -3.62 1.75 -0.09 0.04 0.00 0.00 177.00 175.47 3laq h ARG 36 N -2.51 0.42 0.00 4.56 2.43 -2.02 -3.14 114.38 114.11 3laq h ARG 36 Ca -0.46 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 3laq h ARG 36 Cb 1.30 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 3laq h ARG 36 CO 0.37 0.34 0.00 1.63 -1.51 0.00 0.00 179.97 180.80 3laq n LYS 37 N -4.83 0.48 -4.35 0.20 5.02 -1.26 -4.71 118.16 108.71 3laq n LYS 37 Ca -0.01 0.04 -0.19 0.00 -2.02 0.00 0.00 58.31 56.13 3laq n LYS 37 Cb 0.06 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.42 3laq n LYS 37 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3laq s PHE 38 N -2.23 0.81 0.14 2.13 0.08 -1.19 -0.13 117.98 117.59 3laq s PHE 38 Ca 0.25 -0.16 0.02 0.00 0.12 0.00 0.00 56.93 57.16 3laq s PHE 38 Cb 0.13 -0.54 -0.01 0.00 -0.57 0.00 0.00 43.02 42.04 3laq s PHE 38 CO 0.26 -0.04 0.06 1.04 -0.10 0.00 0.00 175.22 176.44 3laq n GLN 39 N 2.99 0.67 0.00 0.44 6.02 0.22 -4.46 117.38 123.27 3laq n GLN 39 Ca -0.15 -1.23 0.00 0.00 -0.01 0.00 0.00 57.00 55.61 3laq n GLN 39 Cb 0.56 0.74 0.00 0.00 1.02 0.00 0.00 30.24 32.56 3laq n GLN 39 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3laq n GLY 40 N 0.91 1.75 0.33 1.08 0.00 -1.26 -1.27 105.19 106.73 3laq n GLY 40 Ca -0.01 -1.87 0.09 0.00 0.00 0.00 0.00 46.02 44.22 3laq n GLY 40 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3laq h GLU 41 N 0.00 0.00 0.00 1.61 4.81 -1.98 -1.06 114.58 117.96 3laq h GLU 41 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3laq h GLU 41 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3laq h GLU 41 CO 0.00 0.00 -0.22 0.72 -0.73 0.00 0.00 179.01 178.78 3laq n HIS 42 N -2.70 0.00 -3.79 0.92 8.25 -1.26 -4.57 115.22 112.07 3laq n HIS 42 Ca -0.01 -0.03 -0.24 0.00 -0.26 0.00 0.00 57.72 57.18 3laq n HIS 42 Cb 0.64 -0.03 0.03 0.00 1.12 0.00 0.00 29.99 31.75 3laq n HIS 42 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3laq n GLU 44 N -4.41 0.40 -3.68 0.00 0.00 -0.43 -4.46 120.64 108.05 3laq n GLU 44 Ca -0.20 0.04 -0.37 0.00 0.00 0.00 0.00 57.16 56.63 3laq n GLU 44 Cb 0.63 -1.67 -0.11 0.00 0.00 0.00 0.00 31.44 30.29 3laq n GLU 44 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 3laq s ILE 45 N -3.26 5.04 -0.61 3.84 1.01 -0.39 -4.95 121.20 121.88 3laq s ILE 45 Ca 0.02 0.07 -0.21 0.00 0.00 0.00 0.00 60.65 60.54 3laq s ILE 45 Cb 0.13 -3.37 0.08 0.00 0.01 0.00 0.00 42.46 39.31 3laq s ILE 45 CO 0.79 0.31 0.85 -0.62 0.00 0.00 0.00 174.94 176.26 3laq s ASP 46 N 1.43 6.20 0.00 3.58 -1.08 -1.21 0.71 116.67 126.30 3laq s ASP 46 Ca 0.07 -1.07 0.06 0.00 -0.52 0.00 0.00 52.55 51.09 3laq s ASP 46 Cb -0.15 -2.37 0.37 0.00 -1.46 0.00 0.00 42.92 39.31 3laq s ASP 46 CO 0.07 -1.26 1.18 0.00 0.52 0.00 0.00 175.17 175.67 3laq n ALA 47 N 7.10 2.47 0.66 3.66 0.00 0.81 -3.20 120.51 132.01 3laq n ALA 47 Ca -0.05 -0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.41 3laq n ALA 47 Cb 0.45 -1.10 -0.06 0.00 0.00 0.00 0.00 19.45 18.73 3laq n ALA 47 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3laq n SER 48 N -0.60 0.87 -4.79 0.00 3.41 -1.26 -4.99 113.62 106.27 3laq n SER 48 Ca 0.05 -0.94 -0.36 0.00 -0.26 0.00 0.00 58.87 57.36 3laq n SER 48 Cb 0.02 0.88 -0.04 0.00 -0.26 0.00 0.00 64.21 64.81 3laq n SER 48 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3laq s LYS 49 N -2.20 4.01 0.08 4.33 1.02 -1.19 -4.97 119.74 120.82 3laq s LYS 49 Ca 0.07 1.48 0.00 0.00 0.02 0.00 0.00 55.97 57.54 3laq s LYS 49 Cb 0.11 -2.38 0.00 0.00 -0.52 0.00 0.00 37.83 35.04 3laq s LYS 49 CO 0.53 -0.27 0.00 -2.37 -0.92 0.00 0.00 175.35 172.32 3laq n THR 50 N -0.40 0.18 -1.80 2.17 5.66 -1.26 -4.68 114.28 114.14 3laq n THR 50 Ca 0.07 0.06 -0.30 0.00 -3.05 0.00 0.00 64.05 60.83 3laq n THR 50 Cb 0.50 -0.91 0.16 0.00 -1.55 0.00 0.00 70.33 68.54 3laq n THR 50 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3laq s TYR 52 N -3.67 2.91 -0.67 0.00 -0.85 -1.21 -5.00 117.35 108.87 3laq s TYR 52 Ca 0.70 -1.91 -0.31 0.00 -0.52 0.00 0.00 57.07 55.02 3laq s TYR 52 Cb -0.07 -1.87 -0.15 0.00 0.38 0.00 0.00 41.96 40.25 3laq s TYR 52 CO 0.52 -0.83 2.47 0.72 -1.52 0.00 0.00 175.55 176.92 3laq n HIS 53 N 4.55 1.10 0.00 -3.49 8.25 -1.26 -4.53 115.22 119.85 3laq n HIS 53 Ca -0.17 0.29 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 3laq n HIS 53 Cb 0.46 -2.49 0.00 0.00 1.12 0.00 0.00 29.99 29.08 3laq n HIS 53 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3laq n GLY 54 N 6.41 0.28 0.00 -1.41 0.00 -1.26 -4.28 105.19 104.93 3laq n GLY 54 Ca 0.51 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.98 3laq n GLY 54 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3laq n ASN 55 N 2.21 0.00 -0.00 1.61 5.15 -1.26 -4.99 115.26 117.97 3laq n ASN 55 Ca 0.00 -0.77 0.11 0.00 -0.60 0.00 0.00 54.58 53.32 3laq n ASN 55 Cb 0.00 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.10 3laq n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3laq n GLY 56 N 5.00 -1.03 0.35 8.20 0.00 -1.26 -4.70 105.19 111.75 3laq n GLY 56 Ca 0.00 -0.51 0.06 0.00 0.00 0.00 0.00 46.02 45.57 3laq n GLY 56 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3laq n ASP 57 N -2.21 -0.36 0.11 1.61 3.85 -1.26 -0.10 116.55 118.20 3laq n ASP 57 Ca -0.03 1.67 -0.18 0.00 -0.71 0.00 0.00 54.79 55.54 3laq n ASP 57 Cb 0.55 -0.50 -0.14 0.00 -1.35 0.00 0.00 41.12 39.67 3laq n ASP 57 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.20 176.47 3laq h SER 58 N 0.00 0.54 -1.01 -1.12 0.02 -1.86 -3.45 113.55 106.66 3laq h SER 58 Ca 0.46 -0.57 -0.73 0.00 -0.84 0.00 0.00 61.79 60.12 3laq h SER 58 Cb 0.71 -0.17 0.08 0.00 0.14 0.00 0.00 62.40 63.15 3laq h SER 58 CO -1.00 1.44 -0.25 0.00 -1.14 0.00 0.00 176.83 175.88 3laq n TYR 59 N -3.59 0.04 -2.26 3.45 9.36 0.85 -4.88 117.16 120.13 3laq n TYR 59 Ca -0.10 1.01 0.01 0.00 3.32 0.00 0.00 57.90 62.14 3laq n TYR 59 Cb 1.04 -2.02 0.00 0.00 -0.63 0.00 0.00 39.34 37.73 3laq n TYR 59 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 3laq n ARG 60 N 1.23 0.00 0.00 2.98 3.00 -1.26 -4.80 116.66 117.81 3laq n ARG 60 Ca 0.19 -1.45 0.00 0.00 -0.00 0.00 0.00 57.85 56.58 3laq n ARG 60 Cb 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 32.46 32.54 3laq n ARG 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3laq n GLY 61 N 0.26 0.63 0.00 5.14 0.00 -1.26 -3.28 105.19 106.67 3laq n GLY 61 Ca -0.00 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.47 3laq n GLY 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3laq n LYS 62 N 0.00 1.39 -1.62 1.61 5.02 -1.26 -4.77 118.16 118.52 3laq n LYS 62 Ca 0.00 -1.06 -0.50 0.00 -2.02 0.00 0.00 58.31 54.73 3laq n LYS 62 Cb 0.00 -0.96 -0.05 0.00 -0.02 0.00 0.00 35.03 34.00 3laq n LYS 62 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3laq n ALA 63 N -0.29 -0.05 -0.07 7.82 0.00 -1.26 -4.83 120.51 121.83 3laq n ALA 63 Ca 0.00 0.49 -0.06 0.00 0.00 0.00 0.00 53.44 53.87 3laq n ALA 63 Cb 0.17 -2.18 -0.13 0.00 0.00 0.00 0.00 19.45 17.31 3laq n ALA 63 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3laq n ASN 64 N 2.87 1.07 -4.26 0.00 5.15 -1.26 -2.46 115.26 116.37 3laq n ASN 64 Ca 0.18 0.00 -0.17 0.00 -0.60 0.00 0.00 54.58 53.99 3laq n ASN 64 Cb 0.23 0.98 -0.11 0.00 -0.53 0.00 0.00 39.78 40.35 3laq n ASN 64 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3laq s THR 65 N -2.47 1.34 1.08 -0.44 -4.23 -1.26 -2.35 115.64 107.31 3laq s THR 65 Ca -0.08 -1.87 -0.18 0.00 -1.18 0.00 0.00 61.69 58.38 3laq s THR 65 Cb 0.05 -1.68 0.26 0.00 1.34 0.00 0.00 72.50 72.48 3laq s THR 65 CO 0.66 -0.53 1.05 -0.90 -0.54 0.00 0.00 174.62 174.36 3laq n ASP 66 N 0.22 -1.57 -0.27 3.99 3.85 0.53 -0.01 116.55 123.28 3laq n ASP 66 Ca -0.13 -1.18 0.06 0.00 -0.71 0.00 0.00 54.79 52.83 3laq n ASP 66 Cb 0.58 -0.92 0.20 0.00 -1.35 0.00 0.00 41.12 39.63 3laq n ASP 66 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.20 176.93 3laq h THR 67 N -2.44 0.70 -0.62 2.12 2.02 -0.69 -2.42 112.91 111.58 3laq h THR 67 Ca -0.38 -0.18 -0.41 0.00 0.77 0.00 0.00 66.41 66.20 3laq h THR 67 Cb 1.14 0.12 -0.27 0.00 -1.74 0.00 0.00 68.15 67.40 3laq h THR 67 CO 0.25 0.10 -0.21 0.29 0.37 0.00 0.00 175.52 176.32 3laq n LYS 68 N -4.93 2.69 0.00 6.66 5.02 -1.26 -4.84 118.16 121.49 3laq n LYS 68 Ca 0.15 -3.61 0.00 0.00 -2.02 0.00 0.00 58.31 52.84 3laq n LYS 68 Cb 0.42 -2.08 0.00 0.00 -0.02 0.00 0.00 35.03 33.34 3laq n LYS 68 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3laq n GLY 69 N -0.92 2.19 3.76 0.72 0.00 -0.91 -5.04 105.19 104.98 3laq n GLY 69 Ca 0.43 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.04 3laq n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3laq s ARG 70 N -0.44 4.44 0.16 1.61 3.00 -1.26 -4.68 118.95 121.77 3laq s ARG 70 Ca 0.00 2.07 -0.34 0.00 0.00 0.00 0.00 55.73 57.47 3laq s ARG 70 Cb 0.00 -3.13 -0.15 0.00 0.00 0.00 0.00 34.95 31.67 3laq s ARG 70 CO 0.00 -0.09 1.30 -2.30 0.00 0.00 0.00 175.30 174.22 3laq n PRO 71 N 1.23 1.42 -1.74 3.54 -0.02 -1.26 -0.35 135.00 137.81 3laq n PRO 71 Ca 0.01 0.51 -0.30 0.00 -2.02 0.00 0.00 63.50 61.70 3laq n PRO 71 Cb 0.43 -2.11 0.17 0.00 -0.02 0.00 0.00 33.50 31.98 3laq n PRO 71 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3laq s LEU 73 N -6.03 2.42 -0.06 0.00 1.43 -0.88 -4.98 118.68 110.58 3laq s LEU 73 Ca 0.71 -0.42 -0.38 0.00 -1.03 0.00 0.00 54.13 53.01 3laq s LEU 73 Cb -0.07 -1.51 -0.16 0.00 0.03 0.00 0.00 46.19 44.48 3laq s LEU 73 CO 0.53 0.19 1.51 0.00 0.23 0.00 0.00 176.35 178.81 3laq n ALA 74 N 3.35 -0.64 0.00 4.21 0.00 -1.26 -4.70 120.51 121.48 3laq n ALA 74 Ca -0.18 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.72 3laq n ALA 74 Cb 0.53 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.84 3laq n ALA 74 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 3laq n TRP 75 N 3.71 0.00 0.00 0.00 7.02 -0.87 0.81 117.44 128.10 3laq n TRP 75 Ca 0.22 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.70 3laq n TRP 75 Cb 0.17 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.06 3laq n TRP 75 CO 0.00 0.00 0.00 0.27 -2.02 0.00 0.00 177.69 175.94 3laq n ASN 76 N -0.73 0.91 -4.75 -0.99 0.23 -1.26 -0.49 115.26 108.18 3laq n ASN 76 Ca 0.00 -0.96 -0.41 0.00 -0.53 0.00 0.00 54.58 52.68 3laq n ASN 76 Cb 0.00 0.09 -0.03 0.00 -2.08 0.00 0.00 39.78 37.76 3laq n ASN 76 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3laq s ALA 77 N -0.09 3.51 0.21 -2.53 0.00 0.24 -4.79 121.76 118.31 3laq s ALA 77 Ca 0.00 1.17 -0.09 0.00 0.00 0.00 0.00 51.96 53.04 3laq s ALA 77 Cb 0.00 -3.47 0.30 0.00 0.00 0.00 0.00 23.12 19.95 3laq s ALA 77 CO 0.00 -0.56 1.72 -1.00 0.00 0.00 0.00 175.76 175.92 3laq h PRO 78 N 4.31 0.31 0.00 0.00 0.13 -1.95 0.49 132.00 135.29 3laq h PRO 78 Ca -0.47 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3laq h PRO 78 Cb 1.22 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3laq h PRO 78 CO 0.71 0.20 0.00 0.00 -0.23 0.00 0.00 178.00 178.68 3laq n ALA 79 N -2.55 1.46 -0.05 -0.56 0.00 -1.26 -0.48 120.51 117.07 3laq n ALA 79 Ca 0.09 -0.03 -0.13 0.00 0.00 0.00 0.00 53.44 53.37 3laq n ALA 79 Cb 0.32 -1.16 -0.14 0.00 0.00 0.00 0.00 19.45 18.46 3laq n ALA 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3laq n VAL 80 N -1.50 1.57 -0.26 0.00 0.31 0.15 -4.34 118.33 114.26 3laq n VAL 80 Ca 0.02 -0.76 0.25 0.00 -0.01 0.00 0.00 64.34 63.85 3laq n VAL 80 Cb 0.12 -1.07 0.60 0.00 -0.91 0.00 0.00 33.84 32.58 3laq n VAL 80 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3laq h LEU 81 N 0.01 0.25 0.00 7.52 3.38 0.95 -0.86 115.31 126.56 3laq h LEU 81 Ca -0.42 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3laq h LEU 81 Cb 2.07 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.81 3laq h LEU 81 CO 0.05 0.07 -0.22 0.00 0.09 0.00 0.00 178.44 178.42 3laq n GLN 82 N -4.43 0.03 -1.74 1.13 6.02 -1.22 -4.83 117.38 112.34 3laq n GLN 82 Ca 0.22 0.01 -0.30 0.00 -0.01 0.00 0.00 57.00 56.93 3laq n GLN 82 Cb 0.91 -1.52 0.08 0.00 1.02 0.00 0.00 30.24 30.73 3laq n GLN 82 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3laq s LYS 83 N -3.01 2.16 0.53 -1.09 -0.14 -0.33 -4.95 119.74 112.90 3laq s LYS 83 Ca 0.12 0.40 0.28 0.00 -1.36 0.00 0.00 55.97 55.41 3laq s LYS 83 Cb 0.18 -1.95 1.51 0.00 -1.68 0.00 0.00 37.83 35.89 3laq s LYS 83 CO 0.61 -1.52 1.83 -1.35 -0.76 0.00 0.00 175.35 174.16 3laq h PRO 84 N -1.01 0.00 -3.52 -1.68 0.11 -1.89 -3.41 132.00 120.60 3laq h PRO 84 Ca -0.47 0.00 -0.46 0.00 0.11 0.00 0.00 66.00 65.18 3laq h PRO 84 Cb 1.29 0.00 -0.39 0.00 0.11 0.00 0.00 31.00 32.01 3laq h PRO 84 CO 0.63 0.00 -0.76 0.71 -0.21 0.00 0.00 178.00 178.37 3laq s TYR 85 N -3.84 0.69 0.30 0.65 2.02 -1.26 -5.04 117.35 110.86 3laq s TYR 85 Ca -0.03 -0.41 0.03 0.00 -0.37 0.00 0.00 57.07 56.29 3laq s TYR 85 Cb 0.08 -0.85 -0.01 0.00 -0.40 0.00 0.00 41.96 40.78 3laq s TYR 85 CO 0.25 -0.45 0.12 0.09 -1.57 0.00 0.00 175.55 173.99 3laq n ASN 86 N 5.14 1.01 0.14 2.29 3.02 -1.26 -4.85 115.26 120.76 3laq n ASN 86 Ca -0.07 -2.60 -0.09 0.00 -0.03 0.00 0.00 54.58 51.79 3laq n ASN 86 Cb 0.49 0.80 -0.05 0.00 -0.61 0.00 0.00 39.78 40.41 3laq n ASN 86 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3laq h ALA 87 N 1.52 -0.44 0.00 5.41 0.00 -1.02 -3.27 119.26 121.46 3laq h ALA 87 Ca -0.23 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3laq h ALA 87 Cb 0.89 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3laq h ALA 87 CO 0.36 -0.45 0.00 0.72 0.00 0.00 0.00 179.25 179.88 3laq n HIS 88 N -5.07 0.00 -1.44 0.00 8.25 -1.26 -4.56 115.22 111.13 3laq n HIS 88 Ca -0.07 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.04 3laq n HIS 88 Cb 0.23 0.00 0.10 0.00 1.12 0.00 0.00 29.99 31.44 3laq n HIS 88 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3laq s ARG 89 N -1.87 2.11 0.01 -0.41 1.81 -1.23 -4.98 118.95 114.38 3laq s ARG 89 Ca 0.00 1.94 -0.25 0.00 -1.72 0.00 0.00 55.73 55.70 3laq s ARG 89 Cb 0.00 -1.81 -0.19 0.00 -0.45 0.00 0.00 34.95 32.50 3laq s ARG 89 CO 0.00 -1.90 1.38 -1.00 -0.68 0.00 0.00 175.30 173.10 3laq h PRO 90 N -0.13 -0.02 0.72 3.54 0.13 -1.91 -3.32 132.00 131.01 3laq h PRO 90 Ca -0.49 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 3laq h PRO 90 Cb 1.32 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.46 3laq h PRO 90 CO 0.50 0.34 -0.35 0.22 -0.23 0.00 0.00 178.00 178.48 3laq h ASP 91 N -0.38 -0.82 0.00 1.44 1.82 -1.93 -3.45 116.42 113.10 3laq h ASP 91 Ca -0.00 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 3laq h ASP 91 Cb 0.37 0.21 0.00 0.00 0.68 0.00 0.00 39.33 40.59 3laq h ASP 91 CO 0.00 -0.45 0.00 0.00 -1.61 0.00 0.00 179.24 177.18 3laq n ALA 92 N -2.69 0.00 0.00 -0.78 0.00 -1.25 -3.11 120.51 112.68 3laq n ALA 92 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3laq n ALA 92 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 3laq n ALA 92 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3laq n ILE 93 N 0.00 0.00 0.56 0.00 -0.00 -1.26 0.17 119.36 118.83 3laq n ILE 93 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 62.75 62.88 3laq n ILE 93 Cb 0.00 0.00 0.37 0.00 -0.00 0.00 0.00 39.64 40.01 3laq n ILE 93 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.55 177.32 3laq h SER 94 N 0.00 0.00 0.00 7.28 4.64 -1.93 -3.37 113.55 120.17 3laq h SER 94 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3laq h SER 94 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3laq h SER 94 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 3laq n LEU 95 N -2.39 0.00 0.00 5.97 4.77 0.46 -5.04 117.00 120.76 3laq n LEU 95 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 3laq n LEU 95 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 3laq n LEU 95 CO 0.31 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 3laq n GLY 96 N 3.03 0.99 3.66 -0.72 0.00 -1.08 -5.04 105.19 106.04 3laq n GLY 96 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3laq n GLY 96 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3laq s LEU 97 N 0.00 4.14 0.00 0.99 1.43 -1.25 -4.95 118.68 119.04 3laq s LEU 97 Ca 0.00 0.60 0.00 0.00 -1.03 0.00 0.00 54.13 53.70 3laq s LEU 97 Cb 0.00 -2.64 0.00 0.00 0.03 0.00 0.00 46.19 43.58 3laq s LEU 97 CO 0.00 -0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.03 3laq n GLY 98 N 3.96 5.04 2.18 -3.19 0.00 -1.26 -4.21 105.19 107.72 3laq n GLY 98 Ca -0.06 -1.18 -0.10 0.00 0.00 0.00 0.00 46.02 44.68 3laq n GLY 98 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3laq n LYS 99 N 0.00 1.49 -2.98 1.61 5.02 -1.26 -4.18 118.16 117.85 3laq n LYS 99 Ca 0.00 -0.78 -0.09 0.00 -2.02 0.00 0.00 58.31 55.43 3laq n LYS 99 Cb 0.00 -1.91 -0.03 0.00 -0.02 0.00 0.00 35.03 33.08 3laq n LYS 99 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 3laq n HIS 100 N 2.76 -0.80 -2.94 2.13 1.44 -1.26 -5.02 115.22 111.54 3laq n HIS 100 Ca 0.32 -1.35 -0.17 0.00 -2.01 0.00 0.00 57.72 54.50 3laq n HIS 100 Cb 0.60 0.25 -0.01 0.00 0.12 0.00 0.00 29.99 30.95 3laq n HIS 100 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 3laq n ASN 101 N -2.01 1.84 -4.60 4.39 6.94 -1.26 -2.06 115.26 118.50 3laq n ASN 101 Ca 0.02 -3.08 -0.34 0.00 -0.02 0.00 0.00 54.58 51.16 3laq n ASN 101 Cb 0.32 -0.57 -0.11 0.00 -2.36 0.00 0.00 39.78 37.06 3laq n ASN 101 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 3laq s TYR 102 N -2.87 3.11 0.62 -2.53 2.02 -1.26 -4.44 117.35 112.00 3laq s TYR 102 Ca 0.38 -0.03 -0.18 0.00 -0.37 0.00 0.00 57.07 56.87 3laq s TYR 102 Cb 0.38 -1.89 -0.02 0.00 -0.40 0.00 0.00 41.96 40.02 3laq s TYR 102 CO -0.06 0.21 1.21 0.00 -1.57 0.00 0.00 175.55 175.34 3laq s ARG 104 N -3.45 0.65 -0.87 0.00 1.81 -1.14 -4.73 118.95 111.22 3laq s ARG 104 Ca 0.77 -0.45 0.01 0.00 -1.72 0.00 0.00 55.73 54.34 3laq s ARG 104 Cb -0.30 0.28 0.30 0.00 -0.45 0.00 0.00 34.95 34.78 3laq s ARG 104 CO 0.35 -0.18 1.30 -1.71 -0.68 0.00 0.00 175.30 174.38 3laq n ASN 105 N 1.01 5.68 0.17 0.23 5.15 -1.26 -2.32 115.26 123.91 3laq n ASN 105 Ca -0.20 -3.54 0.06 0.00 -0.60 0.00 0.00 54.58 50.30 3laq n ASN 105 Cb 0.57 -0.98 0.08 0.00 -0.53 0.00 0.00 39.78 38.92 3laq n ASN 105 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3laq h PRO 106 N 4.41 0.00 -0.92 1.20 0.13 -1.91 -3.38 132.00 131.53 3laq h PRO 106 Ca 0.27 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 65.22 3laq h PRO 106 Cb 0.53 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.56 3laq h PRO 106 CO 1.09 0.29 0.22 -3.47 -0.23 0.00 0.00 178.00 175.91 3laq n ASP 107 N -3.16 3.44 -3.64 1.44 -0.08 -1.26 -4.84 116.55 108.45 3laq n ASP 107 Ca 0.02 -2.72 -0.23 0.00 -1.51 0.00 0.00 54.79 50.35 3laq n ASP 107 Cb 0.66 -0.65 0.06 0.00 2.34 0.00 0.00 41.12 43.53 3laq n ASP 107 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 3laq n ASN 108 N -0.12 -3.92 -4.62 1.67 3.02 -1.26 -4.97 115.26 105.06 3laq n ASN 108 Ca 0.26 -0.67 -0.32 0.00 -0.03 0.00 0.00 54.58 53.82 3laq n ASN 108 Cb 0.99 -4.62 -0.07 0.00 -0.61 0.00 0.00 39.78 35.47 3laq n ASN 108 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 3laq n GLN 109 N -4.57 0.72 -0.11 3.52 7.27 -1.26 -5.06 117.38 117.88 3laq n GLN 109 Ca -0.12 -3.75 -0.04 0.00 0.07 0.00 0.00 57.00 53.15 3laq n GLN 109 Cb 0.60 1.14 0.16 0.00 2.41 0.00 0.00 30.24 34.55 3laq n GLN 109 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 3laq h LYS 110 N 0.00 0.79 -1.42 3.69 1.79 -1.97 -3.45 116.57 116.01 3laq h LYS 110 Ca -0.42 -0.22 0.16 0.00 -2.18 0.00 0.00 60.65 57.99 3laq h LYS 110 Cb 1.30 -0.09 -0.24 0.00 -1.58 0.00 0.00 32.23 31.62 3laq h LYS 110 CO 0.69 0.80 0.71 -0.98 -1.08 0.00 0.00 179.45 179.59 3laq s ARG 111 N -4.97 0.40 0.73 3.15 1.70 -1.26 -4.50 118.95 114.20 3laq s ARG 111 Ca -0.09 0.05 -0.16 0.00 -0.47 0.00 0.00 55.73 55.06 3laq s ARG 111 Cb 0.15 0.19 -0.02 0.00 -0.57 0.00 0.00 34.95 34.69 3laq s ARG 111 CO 0.81 -0.13 0.64 -0.35 -1.08 0.00 0.00 175.30 175.19 3laq n PRO 112 N 0.52 0.32 -3.68 3.89 -0.04 -1.26 -4.75 135.00 130.00 3laq n PRO 112 Ca -0.06 0.15 -0.08 0.00 -0.04 0.00 0.00 63.50 63.48 3laq n PRO 112 Cb 0.58 -1.93 -0.02 0.00 -0.04 0.00 0.00 33.50 32.09 3laq n PRO 112 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 3laq s TRP 113 N -1.91 -0.28 0.15 0.54 1.48 -0.98 -2.24 118.94 115.69 3laq s TRP 113 Ca 0.67 -0.03 -0.13 0.00 -1.06 0.00 0.00 56.10 55.55 3laq s TRP 113 Cb -0.34 0.63 0.01 0.00 -1.16 0.00 0.00 33.47 32.61 3laq s TRP 113 CO 0.56 -0.95 0.37 0.00 -4.06 0.00 0.00 176.95 172.87 3laq s TYR 115 N -3.88 3.56 0.08 0.00 2.02 -1.26 -0.76 117.35 117.11 3laq s TYR 115 Ca 0.09 1.54 0.08 0.00 -0.37 0.00 0.00 57.07 58.41 3laq s TYR 115 Cb 0.02 -3.30 -0.03 0.00 -0.40 0.00 0.00 41.96 38.24 3laq s TYR 115 CO -0.06 -0.73 -0.21 0.08 -1.57 0.00 0.00 175.55 173.07 3laq s VAL 116 N 0.04 1.67 -1.23 0.71 1.01 -0.16 -2.08 120.40 120.37 3laq s VAL 116 Ca 0.51 -1.41 -0.09 0.00 0.00 0.00 0.00 61.98 60.99 3laq s VAL 116 Cb -0.29 -1.50 0.20 0.00 0.00 0.00 0.00 36.38 34.79 3laq s VAL 116 CO 0.34 0.03 1.73 1.67 0.00 0.00 0.00 175.10 178.86 3laq n GLN 117 N 1.36 3.78 -2.35 2.72 -0.06 -1.26 -2.52 117.38 119.05 3laq n GLN 117 Ca -0.19 -3.81 -0.40 0.00 -2.00 0.00 0.00 57.00 50.60 3laq n GLN 117 Cb 0.53 -2.84 -0.01 0.00 -4.06 0.00 0.00 30.24 23.87 3laq n GLN 117 CO 0.00 0.00 0.00 1.51 -0.20 0.00 0.00 177.06 178.37 3laq n ILE 118 N 3.00 3.49 0.00 1.69 3.06 -1.02 -4.70 119.36 124.88 3laq n ILE 118 Ca 0.36 -3.56 0.00 0.00 -2.50 0.00 0.00 62.75 57.05 3laq n ILE 118 Cb 0.36 -2.35 0.00 0.00 0.54 0.00 0.00 39.64 38.19 3laq n ILE 118 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3laq n GLY 119 N 5.28 1.18 0.00 4.50 0.00 -1.26 -3.47 105.19 111.42 3laq n GLY 119 Ca 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.50 3laq n GLY 119 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3laq n LEU 120 N 0.00 0.03 0.00 0.99 4.77 -1.26 -5.09 117.00 116.44 3laq n LEU 120 Ca 0.00 -0.08 -0.20 0.00 -0.03 0.00 0.00 56.01 55.70 3laq n LEU 120 Cb 0.00 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 3laq n LEU 120 CO 0.00 0.01 -0.14 0.54 -1.33 0.00 0.00 177.39 176.47 3laq n ARG 121 N -0.10 0.89 -3.84 3.23 1.74 -1.23 -5.14 116.66 112.20 3laq n ARG 121 Ca 0.00 -2.46 -0.29 0.00 -0.77 0.00 0.00 57.85 54.32 3laq n ARG 121 Cb 0.05 1.04 -0.16 0.00 -1.02 0.00 0.00 32.46 32.38 3laq n ARG 121 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3laq s GLN 122 N -3.16 1.15 0.29 5.56 1.11 -1.26 -2.43 119.66 120.92 3laq s GLN 122 Ca 0.08 -0.87 0.06 0.00 0.01 0.00 0.00 55.36 54.64 3laq s GLN 122 Cb 0.00 -2.36 -0.02 0.00 -1.01 0.00 0.00 33.01 29.62 3laq s GLN 122 CO 0.06 -0.70 0.42 -0.06 0.01 0.00 0.00 175.29 175.02 3laq s PHE 123 N 1.56 3.26 -0.49 0.91 0.40 -1.05 -4.83 117.98 117.74 3laq s PHE 123 Ca -0.01 -0.13 -0.25 0.00 -0.60 0.00 0.00 56.93 55.94 3laq s PHE 123 Cb -0.18 -1.81 0.03 0.00 0.51 0.00 0.00 43.02 41.57 3laq s PHE 123 CO -0.10 0.19 0.92 0.08 0.70 0.00 0.00 175.22 177.01 3laq s VAL 124 N -2.09 4.46 0.05 -0.44 1.01 -1.26 -0.98 120.40 121.14 3laq s VAL 124 Ca 0.40 0.60 0.01 0.00 0.00 0.00 0.00 61.98 63.00 3laq s VAL 124 Cb -0.09 -4.46 -0.04 0.00 0.00 0.00 0.00 36.38 31.79 3laq s VAL 124 CO 0.30 -0.91 0.12 -1.10 0.00 0.00 0.00 175.10 173.51 3laq s GLN 125 N 3.79 3.09 0.39 2.72 -1.52 0.06 -4.91 119.66 123.28 3laq s GLN 125 Ca 0.35 -0.57 -0.24 0.00 -1.95 0.00 0.00 55.36 52.95 3laq s GLN 125 Cb -0.11 -2.85 -0.09 0.00 -0.22 0.00 0.00 33.01 29.74 3laq s GLN 125 CO 0.24 0.60 1.02 -1.21 -0.25 0.00 0.00 175.29 175.69 3laq s GLU 126 N -2.27 4.23 0.32 2.91 2.02 -1.26 -0.57 118.70 124.07 3laq s GLU 126 Ca 0.29 1.42 -0.03 0.00 0.02 0.00 0.00 54.97 56.67 3laq s GLU 126 Cb -0.12 -2.51 -0.04 0.00 0.10 0.00 0.00 34.13 31.55 3laq s GLU 126 CO 0.22 -0.07 0.57 0.00 0.02 0.00 0.00 175.26 176.00 3laq n MET 128 N -1.30 0.00 0.00 0.00 1.56 0.99 -4.48 117.12 113.89 3laq n MET 128 Ca -0.02 0.08 0.00 0.00 -0.27 0.00 0.00 57.70 57.48 3laq n MET 128 Cb 0.55 -0.60 0.00 0.00 2.15 0.00 0.00 33.22 35.31 3laq n MET 128 CO 0.00 0.00 0.00 1.33 -0.73 0.00 0.00 175.97 176.57 3laq n VAL 129 N -0.18 0.00 -1.09 1.12 0.24 -1.26 -4.92 118.33 112.24 3laq n VAL 129 Ca 0.00 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 62.01 3laq n VAL 129 Cb 0.00 0.00 0.22 0.00 -1.47 0.00 0.00 33.84 32.59 3laq n VAL 129 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 3laq s HIS 130 N 0.00 1.09 0.00 6.34 0.09 -1.26 -4.84 115.29 116.70 3laq s HIS 130 Ca 0.00 0.69 0.00 0.00 -0.00 0.00 0.00 55.06 55.75 3laq s HIS 130 Cb 0.00 -3.37 0.00 0.00 -0.00 0.00 0.00 32.58 29.21 3laq s HIS 130 CO 0.00 -3.56 0.00 -3.47 -0.00 0.00 0.00 174.74 167.71 3laq n ASP 131 N -4.58 0.00 -0.72 1.40 2.03 -1.26 -3.30 116.55 110.12 3laq n ASP 131 Ca 0.10 -0.60 0.09 0.00 0.52 0.00 0.00 54.79 54.90 3laq n ASP 131 Cb 0.59 0.00 0.08 0.00 -0.72 0.00 0.00 41.12 41.06 3laq n ASP 131 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28