#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3laq n SER 10 N 0.00 0.05 -0.39 1.62 7.64 -1.26 -0.96 113.62 120.32 3laq n SER 10 Ca 0.00 0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.93 3laq n SER 10 Cb 0.00 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 3laq n SER 10 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 3laq n ASN 11 N -2.63 0.00 0.00 6.43 2.04 -1.26 -4.31 115.26 115.52 3laq n ASN 11 Ca 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.14 3laq n ASN 11 Cb 0.00 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.25 3laq n ASN 11 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3laq n GLY 13 N 0.00 1.33 3.52 0.00 0.00 -1.26 -5.05 105.19 103.73 3laq n GLY 13 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 3.81 1.36 5.84 0.00 -1.52 0.46 -4.23 119.66 125.39 3laq s GLN 15 Ca 0.43 1.46 0.00 0.00 -1.95 0.00 0.00 55.36 55.31 3laq s GLN 15 Cb -0.01 -1.77 0.00 0.00 -0.22 0.00 0.00 33.01 31.01 3laq s GLN 15 CO -0.06 -2.36 0.00 0.09 -0.25 0.00 0.00 175.29 172.71 3laq n ASN 16 N -4.01 0.00 -0.83 5.90 3.02 -1.26 -1.53 115.26 116.56 3laq n ASN 16 Ca 0.11 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.68 3laq n ASN 16 Cb 0.52 0.00 0.11 0.00 -0.61 0.00 0.00 39.78 39.80 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 1.73 3.62 7.41 0.00 -1.26 -4.96 105.19 111.74 3laq n GLY 17 Ca 0.00 -0.24 -0.45 0.00 0.00 0.00 0.00 46.02 45.33 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 0.22 0.18 3.33 -0.02 0.00 -0.58 -4.65 105.19 103.66 3laq n GLY 18 Ca 0.07 0.42 -0.33 0.00 0.00 0.00 0.00 46.02 46.18 3laq n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3laq s VAL 19 N -0.58 2.93 -0.37 1.61 1.01 -1.16 -4.42 120.40 119.41 3laq s VAL 19 Ca 0.64 -0.69 -0.24 0.00 0.00 0.00 0.00 61.98 61.69 3laq s VAL 19 Cb -0.71 -2.24 0.01 0.00 0.00 0.00 0.00 36.38 33.44 3laq s VAL 19 CO 0.56 0.51 0.84 0.00 0.00 0.00 0.00 175.10 177.01 3laq s VAL 21 N 3.26 2.19 0.00 0.00 -7.23 -1.04 -4.86 120.40 112.71 3laq s VAL 21 Ca 0.34 -0.96 0.00 0.00 -1.81 0.00 0.00 61.98 59.55 3laq s VAL 21 Cb -0.13 -1.86 0.00 0.00 0.56 0.00 0.00 36.38 34.96 3laq s VAL 21 CO 0.18 0.55 0.00 -1.54 -0.31 0.00 0.00 175.10 173.98 3laq n SER 22 N 3.71 0.60 -3.26 4.85 3.41 -1.26 -1.68 113.62 119.99 3laq n SER 22 Ca -0.19 -0.74 -0.06 0.00 -0.26 0.00 0.00 58.87 57.62 3laq n SER 22 Cb 0.52 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.44 3laq n SER 22 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3laq s TYR 23 N 0.73 -1.20 0.13 7.33 2.02 -0.87 -4.93 117.35 120.56 3laq s TYR 23 Ca 0.00 0.08 -0.25 0.00 -0.37 0.00 0.00 57.07 56.53 3laq s TYR 23 Cb 0.00 0.02 -0.02 0.00 -0.40 0.00 0.00 41.96 41.56 3laq s TYR 23 CO 0.00 -1.07 1.62 1.57 -1.57 0.00 0.00 175.55 176.11 3laq h LYS 24 N 7.40 -0.35 0.00 -0.62 2.10 -1.94 -0.30 116.57 122.85 3laq h LYS 24 Ca 0.01 0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 3laq h LYS 24 Cb 1.13 0.08 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 3laq h LYS 24 CO 0.17 -0.23 0.00 1.88 -2.00 0.00 0.00 179.45 179.26 3laq h TYR 25 N -0.36 0.00 -2.08 0.07 0.05 -2.00 -2.97 116.97 109.68 3laq h TYR 25 Ca 0.09 0.00 -0.71 0.00 0.05 0.00 0.00 58.73 58.16 3laq h TYR 25 Cb 0.50 0.00 -0.33 0.00 1.01 0.00 0.00 36.73 37.91 3laq h TYR 25 CO -0.36 0.00 0.35 1.19 -1.05 0.00 0.00 178.16 178.29 3laq n PHE 26 N -2.99 3.24 -3.91 4.88 3.01 -0.14 -4.92 117.46 116.62 3laq n PHE 26 Ca -0.01 -2.94 -0.25 0.00 1.01 0.00 0.00 57.45 55.26 3laq n PHE 26 Cb 0.21 -0.84 -0.01 0.00 -0.01 0.00 0.00 39.48 38.83 3laq n PHE 26 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3laq n SER 27 N -0.29 -0.86 -1.00 4.37 3.41 -1.12 -2.44 113.62 115.69 3laq n SER 27 Ca 0.44 -0.96 -0.04 0.00 -0.26 0.00 0.00 58.87 58.04 3laq n SER 27 Cb 0.35 -3.28 -0.02 0.00 -0.26 0.00 0.00 64.21 61.00 3laq n SER 27 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3laq n ARG 28 N -4.39 -1.21 -1.52 4.33 5.12 -1.15 -4.90 116.66 112.94 3laq n ARG 28 Ca -0.27 0.27 -0.43 0.00 -1.93 0.00 0.00 57.85 55.49 3laq n ARG 28 Cb 0.67 -4.22 0.00 0.00 -1.16 0.00 0.00 32.46 27.74 3laq n ARG 28 CO 0.00 0.00 0.00 1.51 -1.93 0.00 0.00 177.63 177.21 3laq n ILE 29 N -1.22 2.03 -4.36 0.55 3.06 -1.02 -4.53 119.36 113.87 3laq n ILE 29 Ca -0.04 -0.50 -0.24 0.00 -2.50 0.00 0.00 62.75 59.47 3laq n ILE 29 Cb 0.15 -0.77 -0.12 0.00 0.54 0.00 0.00 39.64 39.45 3laq n ILE 29 CO 0.00 0.00 0.00 -0.13 -2.50 0.00 0.00 176.55 173.92 3laq s ARG 30 N -1.64 1.35 0.04 9.51 3.00 -1.26 -2.05 118.95 127.90 3laq s ARG 30 Ca 0.62 -1.41 -0.01 0.00 0.00 0.00 0.00 55.73 54.92 3laq s ARG 30 Cb -0.64 -1.55 -0.03 0.00 0.00 0.00 0.00 34.95 32.73 3laq s ARG 30 CO 0.58 0.33 -0.01 -0.98 0.00 0.00 0.00 175.30 175.22 3laq s ARG 31 N -2.60 0.55 -0.09 3.54 1.70 -0.68 -5.01 118.95 116.36 3laq s ARG 31 Ca 0.16 -1.02 -0.10 0.00 -0.47 0.00 0.00 55.73 54.30 3laq s ARG 31 Cb -0.07 0.19 -0.05 0.00 -0.57 0.00 0.00 34.95 34.45 3laq s ARG 31 CO 0.07 -0.10 0.23 0.00 -1.08 0.00 0.00 175.30 174.42 3laq s SER 33 N -0.85 6.06 0.43 0.00 1.04 -0.02 -4.87 113.70 115.49 3laq s SER 33 Ca 0.17 -2.00 -0.18 0.00 0.48 0.00 0.00 55.95 54.42 3laq s SER 33 Cb -0.13 -2.13 -0.10 0.00 0.10 0.00 0.00 66.02 63.76 3laq s SER 33 CO 0.06 -0.75 0.92 0.00 0.98 0.00 0.00 173.24 174.45 3laq s PRO 35 N -3.44 1.58 0.29 0.00 0.02 -1.26 -4.98 135.00 127.21 3laq s PRO 35 Ca 0.59 -0.03 -0.03 0.00 0.02 0.00 0.00 61.00 61.55 3laq s PRO 35 Cb -0.10 -1.92 0.41 0.00 0.02 0.00 0.00 34.50 32.92 3laq s PRO 35 CO 0.20 -1.84 1.96 0.07 -0.33 0.00 0.00 177.00 177.06 3laq h ARG 36 N -1.23 1.13 -0.45 5.54 0.11 -2.01 -2.87 114.38 114.61 3laq h ARG 36 Ca -0.46 -0.07 -0.09 0.00 0.10 0.00 0.00 59.98 59.47 3laq h ARG 36 Cb 1.30 -0.25 -0.02 0.00 1.11 0.00 0.00 29.97 32.11 3laq h ARG 36 CO 0.58 0.75 -0.08 -0.22 0.10 0.00 0.00 179.97 181.10 3laq h LYS 37 N 1.16 0.78 -4.63 0.08 3.64 -1.93 -3.42 116.57 112.25 3laq h LYS 37 Ca 0.31 -0.24 -0.69 0.00 -1.27 0.00 0.00 60.65 58.76 3laq h LYS 37 Cb -0.13 -0.07 -0.32 0.00 -0.41 0.00 0.00 32.23 31.29 3laq h LYS 37 CO -0.07 0.84 -0.62 -0.06 -2.27 0.00 0.00 179.45 177.28 3laq s PHE 38 N -4.85 3.38 0.65 1.91 0.08 -1.08 -1.02 117.98 117.05 3laq s PHE 38 Ca -0.09 -1.95 -0.05 0.00 0.12 0.00 0.00 56.93 54.96 3laq s PHE 38 Cb 0.14 -2.58 0.14 0.00 -0.57 0.00 0.00 43.02 40.15 3laq s PHE 38 CO 0.82 -0.85 0.89 1.04 -0.10 0.00 0.00 175.22 177.02 3laq n GLN 39 N 4.67 -0.36 0.00 0.44 6.02 -0.51 -4.38 117.38 123.26 3laq n GLN 39 Ca -0.09 -1.97 0.00 0.00 -0.01 0.00 0.00 57.00 54.93 3laq n GLN 39 Cb 0.43 -0.74 0.00 0.00 1.02 0.00 0.00 30.24 30.95 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 -1.41 -1.48 0.00 1.08 0.00 -1.26 -2.55 105.19 99.56 3laq n GLY 40 Ca 0.13 -1.56 0.05 0.00 0.00 0.00 0.00 46.02 44.64 3laq n GLY 40 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3laq n GLU 41 N -1.21 0.32 0.00 1.61 2.13 -1.26 -0.54 120.64 121.69 3laq n GLU 41 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3laq n GLU 41 Cb 0.00 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.21 3laq n GLU 41 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3laq n HIS 42 N -1.00 0.00 -2.81 4.31 8.25 -1.26 -4.51 115.22 118.20 3laq n HIS 42 Ca 0.08 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.43 3laq n HIS 42 Cb 0.04 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.20 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 -2.87 1.56 -4.04 0.00 0.28 -1.08 -4.23 120.64 110.26 3laq n GLU 44 Ca -0.12 -1.01 -0.33 0.00 -0.16 0.00 0.00 57.16 55.54 3laq n GLU 44 Cb 0.60 -1.35 -0.15 0.00 1.43 0.00 0.00 31.44 31.97 3laq n GLU 44 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 3laq s ILE 45 N -2.01 2.41 -0.60 3.84 1.01 -1.06 -4.94 121.20 119.85 3laq s ILE 45 Ca 0.16 -1.26 -0.22 0.00 0.00 0.00 0.00 60.65 59.33 3laq s ILE 45 Cb 0.15 -2.26 0.07 0.00 0.01 0.00 0.00 42.46 40.43 3laq s ILE 45 CO 0.42 0.17 0.86 -0.62 0.00 0.00 0.00 174.94 175.77 3laq s ASP 46 N 1.22 6.22 0.00 3.58 -1.08 -1.22 -1.43 116.67 123.96 3laq s ASP 46 Ca -0.03 -0.93 0.29 0.00 -0.52 0.00 0.00 52.55 51.37 3laq s ASP 46 Cb -0.17 -2.38 1.36 0.00 -1.46 0.00 0.00 42.92 40.27 3laq s ASP 46 CO -0.07 -1.25 1.94 0.00 0.52 0.00 0.00 175.17 176.31 3laq n ALA 47 N 7.16 2.69 0.13 3.66 0.00 -0.19 -3.16 120.51 130.80 3laq n ALA 47 Ca -0.04 -0.24 -0.21 0.00 0.00 0.00 0.00 53.44 52.95 3laq n ALA 47 Cb 0.45 -1.38 -0.15 0.00 0.00 0.00 0.00 19.45 18.37 3laq n ALA 47 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3laq h SER 48 N 0.45 0.68 -1.58 0.00 4.64 -1.90 -3.47 113.55 112.37 3laq h SER 48 Ca 0.00 -0.72 -0.70 0.00 -0.47 0.00 0.00 61.79 59.91 3laq h SER 48 Cb 0.31 -0.22 0.05 0.00 -0.31 0.00 0.00 62.40 62.23 3laq h SER 48 CO 0.00 1.56 0.44 0.29 -0.87 0.00 0.00 176.83 178.25 3laq n LYS 49 N -3.65 1.00 0.00 4.77 5.02 -1.19 -4.87 118.16 119.24 3laq n LYS 49 Ca -0.13 0.36 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 3laq n LYS 49 Cb 1.06 -1.99 0.00 0.00 -0.02 0.00 0.00 35.03 34.08 3laq n LYS 49 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 3laq n THR 50 N 2.58 0.00 -4.24 -0.18 5.66 -1.26 -4.63 114.28 112.21 3laq n THR 50 Ca 0.19 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.93 3laq n THR 50 Cb 0.17 -0.64 -0.07 0.00 -1.55 0.00 0.00 70.33 68.23 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 -2.66 2.45 -0.29 0.00 -0.85 -1.00 -4.96 117.35 110.04 3laq s TYR 52 Ca 0.36 -0.29 -0.08 0.00 -0.52 0.00 0.00 57.07 56.54 3laq s TYR 52 Cb 0.04 -1.16 -0.00 0.00 0.38 0.00 0.00 41.96 41.22 3laq s TYR 52 CO 0.20 0.57 0.10 -1.01 -1.52 0.00 0.00 175.55 173.89 3laq s HIS 53 N -1.96 3.15 0.00 -3.49 3.76 -1.26 -3.37 115.29 112.12 3laq s HIS 53 Ca 0.25 -0.76 0.00 0.00 -0.15 0.00 0.00 55.06 54.40 3laq s HIS 53 Cb -0.07 -2.29 0.00 0.00 1.11 0.00 0.00 32.58 31.33 3laq s HIS 53 CO 0.14 -0.50 0.00 0.41 -0.85 0.00 0.00 174.74 173.93 3laq n GLY 54 N 4.91 1.75 0.08 -2.22 0.00 -1.26 -3.38 105.19 105.08 3laq n GLY 54 Ca -0.15 -0.25 -0.07 0.00 0.00 0.00 0.00 46.02 45.55 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 9.28 0.83 0.00 1.61 5.15 -1.26 -5.00 115.26 125.87 3laq n ASN 55 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 3laq n ASN 55 Cb 0.00 0.99 0.00 0.00 -0.53 0.00 0.00 39.78 40.24 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 1.92 1.68 0.60 8.20 0.00 -1.22 -3.85 105.19 112.52 3laq n GLY 56 Ca -0.26 0.00 0.43 0.00 0.00 0.00 0.00 46.02 46.20 3laq n GLY 56 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3laq n ASP 57 N 0.00 0.00 0.09 1.61 4.64 -1.26 0.26 116.55 121.89 3laq n ASP 57 Ca 0.00 0.84 0.09 0.00 -1.38 0.00 0.00 54.79 54.34 3laq n ASP 57 Cb 0.00 -0.40 -0.02 0.00 -1.04 0.00 0.00 41.12 39.66 3laq n ASP 57 CO 0.00 0.00 0.00 -0.24 -0.82 0.00 0.00 177.20 176.14 3laq n SER 58 N -3.57 0.84 -4.68 1.67 2.88 -1.26 -4.86 113.62 104.64 3laq n SER 58 Ca 0.36 0.33 -0.46 0.00 -1.33 0.00 0.00 58.87 57.77 3laq n SER 58 Cb 1.71 0.41 -0.04 0.00 -0.75 0.00 0.00 64.21 65.54 3laq n SER 58 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3laq n TYR 59 N -2.71 2.39 -1.43 0.66 9.36 0.72 -4.88 117.16 121.28 3laq n TYR 59 Ca -0.02 -0.08 0.07 0.00 3.32 0.00 0.00 57.90 61.19 3laq n TYR 59 Cb 0.61 -2.69 0.16 0.00 -0.63 0.00 0.00 39.34 36.78 3laq n TYR 59 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3laq n ARG 60 N 6.48 1.29 0.00 2.98 5.12 -1.26 -4.82 116.66 126.45 3laq n ARG 60 Ca 0.21 -2.80 0.00 0.00 -1.93 0.00 0.00 57.85 53.33 3laq n ARG 60 Cb 0.33 -1.43 0.00 0.00 -1.16 0.00 0.00 32.46 30.20 3laq n ARG 60 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3laq n GLY 61 N -1.13 0.40 1.07 -0.13 0.00 -1.26 -3.45 105.19 100.69 3laq n GLY 61 Ca 0.16 -1.60 0.05 0.00 0.00 0.00 0.00 46.02 44.62 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 0.60 -1.92 1.61 5.02 -1.26 -4.56 118.16 117.64 3laq n LYS 62 Ca 0.00 -2.41 -0.41 0.00 -2.02 0.00 0.00 58.31 53.47 3laq n LYS 62 Cb 0.00 -0.65 -0.02 0.00 -0.02 0.00 0.00 35.03 34.34 3laq n LYS 62 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3laq s ALA 63 N -1.23 3.65 0.00 7.82 0.00 -1.26 -4.89 121.76 125.85 3laq s ALA 63 Ca 0.33 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.72 3laq s ALA 63 Cb 0.35 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.89 3laq s ALA 63 CO -0.12 -0.84 0.15 0.27 0.00 0.00 0.00 175.76 175.22 3laq n ASN 64 N 2.00 0.30 -3.58 0.00 6.94 -1.26 -1.76 115.26 117.90 3laq n ASN 64 Ca 0.06 -0.78 -0.12 0.00 -0.02 0.00 0.00 54.58 53.71 3laq n ASN 64 Cb 0.39 0.12 0.02 0.00 -2.36 0.00 0.00 39.78 37.95 3laq n ASN 64 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 3laq n THR 65 N -0.12 0.00 -4.41 5.53 -2.24 -1.26 -0.53 114.28 111.26 3laq n THR 65 Ca 0.00 -1.13 -0.20 0.00 -2.27 0.00 0.00 64.05 60.45 3laq n THR 65 Cb 0.11 -0.48 -0.10 0.00 -2.10 0.00 0.00 70.33 67.75 3laq n THR 65 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3laq s ASP 66 N -2.87 2.62 0.00 3.42 -4.77 -0.62 -3.34 116.67 111.10 3laq s ASP 66 Ca 0.25 -1.18 0.00 0.00 -3.30 0.00 0.00 52.55 48.32 3laq s ASP 66 Cb -0.02 -0.14 0.00 0.00 -1.09 0.00 0.00 42.92 41.67 3laq s ASP 66 CO 0.16 -0.35 0.29 0.35 0.70 0.00 0.00 175.17 176.31 3laq n THR 67 N -0.55 0.00 0.00 2.11 -2.24 -0.89 -0.12 114.28 112.59 3laq n THR 67 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 3laq n THR 67 Cb 0.63 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 3laq n THR 67 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3laq n LYS 68 N -0.49 4.73 0.00 -0.78 5.02 -1.26 -5.06 118.16 120.32 3laq n LYS 68 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3laq n LYS 68 Cb 0.00 -0.59 0.00 0.00 -0.02 0.00 0.00 35.03 34.42 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 1.28 3.47 2.35 0.72 0.00 0.83 -5.12 105.19 108.72 3laq n GLY 69 Ca 0.00 -0.74 -0.31 0.00 0.00 0.00 0.00 46.02 44.97 3laq n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3laq n ARG 70 N 0.00 0.00 -3.07 1.61 1.74 -1.26 -4.02 116.66 111.66 3laq n ARG 70 Ca 0.00 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.77 3laq n ARG 70 Cb 0.00 -0.70 -0.04 0.00 -1.02 0.00 0.00 32.46 30.69 3laq n ARG 70 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3laq s PRO 71 N -0.70 3.81 0.64 5.56 0.05 -1.26 -1.60 135.00 141.50 3laq s PRO 71 Ca 0.43 0.42 -0.15 0.00 0.05 0.00 0.00 61.00 61.76 3laq s PRO 71 Cb -0.53 -2.47 -0.01 0.00 0.05 0.00 0.00 34.50 31.54 3laq s PRO 71 CO 0.42 0.09 1.08 0.00 0.05 0.00 0.00 177.00 178.65 3laq s LEU 73 N -4.81 4.26 0.24 0.00 1.43 -0.15 -4.97 118.68 114.68 3laq s LEU 73 Ca 0.64 0.74 -0.30 0.00 -1.03 0.00 0.00 54.13 54.18 3laq s LEU 73 Cb -0.18 -3.32 -0.10 0.00 0.03 0.00 0.00 46.19 42.62 3laq s LEU 73 CO 0.41 0.05 1.41 0.00 0.23 0.00 0.00 176.35 178.46 3laq s ALA 74 N -1.63 3.60 0.31 4.21 0.00 -1.26 -4.68 121.76 122.32 3laq s ALA 74 Ca 0.41 1.28 0.28 0.00 0.00 0.00 0.00 51.96 53.93 3laq s ALA 74 Cb -0.12 -3.54 1.51 0.00 0.00 0.00 0.00 23.12 20.97 3laq s ALA 74 CO 0.22 -0.70 1.83 -1.49 0.00 0.00 0.00 175.76 175.62 3laq h TRP 75 N 5.06 0.00 0.47 0.00 4.06 -1.26 -0.28 115.95 124.00 3laq h TRP 75 Ca -0.46 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.47 3laq h TRP 75 Cb 1.22 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.38 3laq h TRP 75 CO 0.60 0.00 -0.23 -0.91 -3.56 0.00 0.00 178.44 174.35 3laq h ASN 76 N 0.00 -0.54 -0.07 -3.49 -0.26 -1.74 -1.32 115.58 108.17 3laq h ASN 76 Ca 0.00 -0.08 -0.05 0.00 -0.56 0.00 0.00 56.30 55.62 3laq h ASN 76 Cb 0.33 0.14 0.01 0.00 -1.06 0.00 0.00 38.32 37.74 3laq h ASN 76 CO 0.00 -0.22 -0.02 0.00 -1.06 0.00 0.00 177.43 176.13 3laq n ALA 77 N -2.51 -0.96 -0.36 -0.83 0.00 -0.12 -4.47 120.51 111.26 3laq n ALA 77 Ca -0.11 0.03 0.03 0.00 0.00 0.00 0.00 53.44 53.40 3laq n ALA 77 Cb 0.30 -0.11 0.19 0.00 0.00 0.00 0.00 19.45 19.83 3laq n ALA 77 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3laq h PRO 78 N 0.12 1.06 -0.04 0.00 0.11 -1.94 -0.39 132.00 130.93 3laq h PRO 78 Ca -0.02 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 66.03 3laq h PRO 78 Cb 0.10 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 30.95 3laq h PRO 78 CO 0.04 0.70 -0.17 0.00 -0.21 0.00 0.00 178.00 178.36 3laq h ALA 79 N 1.47 -0.58 -0.14 -0.75 0.00 -1.94 -2.96 119.26 114.34 3laq h ALA 79 Ca 0.44 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.37 3laq h ALA 79 Cb 0.25 0.70 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3laq h ALA 79 CO -0.20 -0.64 0.13 0.28 0.00 0.00 0.00 179.25 178.81 3laq h VAL 80 N -0.19 0.69 0.00 0.00 2.07 -1.74 -2.73 116.25 114.36 3laq h VAL 80 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 3laq h VAL 80 Cb 0.22 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 3laq h VAL 80 CO -0.13 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.64 3laq n LEU 81 N -4.13 0.04 0.09 2.57 4.77 -0.19 -0.20 117.00 119.95 3laq n LEU 81 Ca 0.00 0.52 -0.19 0.00 -0.03 0.00 0.00 56.01 56.31 3laq n LEU 81 Cb 0.25 -0.52 -0.15 0.00 -2.33 0.00 0.00 43.42 40.67 3laq n LEU 81 CO 0.31 -0.45 -0.29 1.56 -1.33 0.00 0.00 177.39 177.18 3laq h GLN 82 N 0.00 0.32 -7.11 3.23 1.08 -1.62 -3.47 115.11 107.55 3laq h GLN 82 Ca 0.00 -0.56 -0.53 0.00 -1.45 0.00 0.00 58.65 56.11 3laq h GLN 82 Cb 0.08 0.21 0.13 0.00 -0.05 0.00 0.00 27.48 27.84 3laq h GLN 82 CO 0.00 1.22 0.47 0.15 -0.95 0.00 0.00 178.83 179.73 3laq s LYS 83 N -2.62 2.82 0.24 1.46 -0.14 0.73 -4.93 119.74 117.31 3laq s LYS 83 Ca -0.09 1.86 -0.02 0.00 -1.36 0.00 0.00 55.97 56.37 3laq s LYS 83 Cb 0.06 -1.90 0.28 0.00 -1.68 0.00 0.00 37.83 34.59 3laq s LYS 83 CO 0.88 -1.34 1.69 -1.35 -0.76 0.00 0.00 175.35 174.47 3laq h PRO 84 N 0.71 0.70 -4.34 -1.68 0.11 -1.91 -3.37 132.00 122.22 3laq h PRO 84 Ca -0.50 -0.25 -0.73 0.00 0.11 0.00 0.00 66.00 64.62 3laq h PRO 84 Cb 1.31 -0.05 -0.23 0.00 0.11 0.00 0.00 31.00 32.14 3laq h PRO 84 CO 0.54 0.83 -0.36 0.71 -0.21 0.00 0.00 178.00 179.52 3laq s TYR 85 N -4.68 3.25 0.25 0.65 2.02 -1.26 -4.91 117.35 112.68 3laq s TYR 85 Ca -0.09 -0.94 -0.17 0.00 -0.37 0.00 0.00 57.07 55.51 3laq s TYR 85 Cb 0.14 -3.08 0.01 0.00 -0.40 0.00 0.00 41.96 38.63 3laq s TYR 85 CO 0.82 -0.78 0.58 0.54 -1.57 0.00 0.00 175.55 175.14 3laq s ASN 86 N 2.44 -0.18 0.30 2.29 6.03 -1.26 -4.99 114.94 119.57 3laq s ASN 86 Ca 0.04 -0.75 0.23 0.00 -1.03 0.00 0.00 52.86 51.36 3laq s ASN 86 Cb -0.24 0.64 1.08 0.00 -3.03 0.00 0.00 41.25 39.71 3laq s ASN 86 CO 0.07 -1.22 1.71 0.00 -2.03 0.00 0.00 177.10 175.63 3laq n ALA 87 N -0.41 1.42 0.29 3.54 0.00 -0.50 -1.84 120.51 123.01 3laq n ALA 87 Ca -0.04 0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.66 3laq n ALA 87 Cb 0.61 -1.37 0.13 0.00 0.00 0.00 0.00 19.45 18.81 3laq n ALA 87 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3laq h HIS 88 N 0.00 0.00 -0.58 0.00 3.86 -1.93 -3.45 115.15 113.04 3laq h HIS 88 Ca 0.00 0.00 -0.41 0.00 -1.16 0.00 0.00 60.37 58.80 3laq h HIS 88 Cb 0.23 0.00 0.05 0.00 1.06 0.00 0.00 27.41 28.75 3laq h HIS 88 CO 0.00 0.00 -0.19 0.54 0.86 0.00 0.00 177.93 179.14 3laq n ARG 89 N -2.65 0.00 0.31 2.45 5.12 -0.76 -4.77 116.66 116.35 3laq n ARG 89 Ca 0.02 0.00 0.19 0.00 -1.93 0.00 0.00 57.85 56.13 3laq n ARG 89 Cb 0.51 -0.68 0.98 0.00 -1.16 0.00 0.00 32.46 32.11 3laq n ARG 89 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 3laq h PRO 90 N 0.97 0.00 -0.01 5.56 0.11 -1.91 -2.63 132.00 134.10 3laq h PRO 90 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 3laq h PRO 90 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 3laq h PRO 90 CO 0.35 0.03 -0.78 -0.40 -0.21 0.00 0.00 178.00 176.99 3laq n ASP 91 N -3.34 1.37 -0.34 -2.05 5.68 -1.26 -4.70 116.55 111.90 3laq n ASP 91 Ca -0.02 -1.16 0.22 0.00 -0.50 0.00 0.00 54.79 53.32 3laq n ASP 91 Cb 0.14 0.77 0.46 0.00 -1.14 0.00 0.00 41.12 41.35 3laq n ASP 91 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3laq h ALA 92 N 3.34 2.06 -0.13 2.12 0.00 -1.78 -2.42 119.26 122.46 3laq h ALA 92 Ca 0.00 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.03 3laq h ALA 92 Cb 0.60 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3laq h ALA 92 CO 0.00 -0.53 -0.24 -0.84 0.00 0.00 0.00 179.25 177.65 3laq h ILE 93 N 0.45 0.00 0.00 0.00 3.07 -1.83 -2.56 117.51 116.63 3laq h ILE 93 Ca 0.64 0.00 -0.01 0.00 1.55 0.00 0.00 64.86 67.04 3laq h ILE 93 Cb 1.47 0.00 -0.00 0.00 -0.27 0.00 0.00 36.82 38.02 3laq h ILE 93 CO -0.40 0.00 -0.06 0.77 -1.05 0.00 0.00 178.15 177.41 3laq h SER 94 N -0.21 0.00 -0.04 2.16 4.64 -1.81 -2.47 113.55 115.82 3laq h SER 94 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3laq h SER 94 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3laq h SER 94 CO -0.23 0.06 0.00 0.18 -0.87 0.00 0.00 176.83 175.97 3laq n LEU 95 N -4.21 0.76 0.00 5.97 4.77 -1.05 -4.94 117.00 118.29 3laq n LEU 95 Ca -0.03 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 3laq n LEU 95 Cb 0.14 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3laq n LEU 95 CO 0.33 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 3laq n GLY 96 N 1.02 3.15 3.69 -0.72 0.00 -0.93 -4.76 105.19 106.65 3laq n GLY 96 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 4.35 0.00 0.99 1.43 -1.12 -4.94 118.68 119.39 3laq s LEU 97 Ca 0.00 2.34 0.00 0.00 -1.03 0.00 0.00 54.13 55.44 3laq s LEU 97 Cb 0.00 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.65 3laq s LEU 97 CO 0.00 -0.79 0.00 0.61 0.23 0.00 0.00 176.35 176.40 3laq n GLY 98 N 3.79 1.81 0.00 -3.19 0.00 -1.26 -4.28 105.19 102.06 3laq n GLY 98 Ca 0.14 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 -0.39 1.61 5.02 -1.26 -4.18 118.16 118.96 3laq n LYS 99 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3laq n LYS 99 Cb 0.00 -1.01 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 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 -0.46 -0.83 -1.17 2.13 1.44 -1.26 -4.74 115.22 110.33 3laq n HIS 100 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 3laq n HIS 100 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 3laq n HIS 100 CO 0.00 0.00 0.00 -1.71 -2.81 0.00 0.00 176.34 171.82 3laq n ASN 101 N -0.89 0.00 -2.62 4.39 5.15 -1.26 -1.06 115.26 118.97 3laq n ASN 101 Ca 0.00 -1.17 0.00 0.00 -0.60 0.00 0.00 54.58 52.81 3laq n ASN 101 Cb 0.00 -0.03 0.00 0.00 -0.53 0.00 0.00 39.78 39.22 3laq n ASN 101 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 3laq n TYR 102 N -0.00 -0.25 -4.75 1.20 4.01 -1.26 -4.58 117.16 111.54 3laq n TYR 102 Ca 0.00 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.42 3laq n TYR 102 Cb 0.53 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.44 3laq n TYR 102 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3laq s ARG 104 N -1.04 1.70 -0.48 0.00 1.81 -1.03 -4.72 118.95 115.19 3laq s ARG 104 Ca 0.13 -1.87 0.06 0.00 -1.72 0.00 0.00 55.73 52.33 3laq s ARG 104 Cb -0.11 0.35 0.22 0.00 -0.45 0.00 0.00 34.95 34.96 3laq s ARG 104 CO 0.03 -0.64 0.73 -1.71 -0.68 0.00 0.00 175.30 173.03 3laq n ASN 105 N -1.28 -2.38 -0.03 0.23 5.15 -1.26 0.08 115.26 115.77 3laq n ASN 105 Ca 0.05 -3.01 -0.15 0.00 -0.60 0.00 0.00 54.58 50.87 3laq n ASN 105 Cb 0.63 1.21 -0.11 0.00 -0.53 0.00 0.00 39.78 40.98 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 4.45 0.14 0.00 1.20 0.14 -1.90 -3.38 132.00 132.66 3laq h PRO 106 Ca -0.01 -0.14 0.00 0.00 0.14 0.00 0.00 66.00 65.99 3laq h PRO 106 Cb 1.02 0.03 0.00 0.00 0.14 0.00 0.00 31.00 32.19 3laq h PRO 106 CO 0.26 0.85 0.00 -0.40 0.14 0.00 0.00 178.00 178.85 3laq n ASP 107 N -4.57 -0.55 -4.90 1.44 3.85 -1.26 -5.05 116.55 105.50 3laq n ASP 107 Ca -0.09 -0.39 -0.29 0.00 -0.71 0.00 0.00 54.79 53.31 3laq n ASP 107 Cb 0.45 0.00 0.04 0.00 -1.35 0.00 0.00 41.12 40.26 3laq n ASP 107 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.20 176.39 3laq s ASN 108 N -1.41 5.57 0.00 -1.12 0.01 -1.26 -4.94 114.94 111.78 3laq s ASN 108 Ca 0.00 0.96 0.00 0.00 -0.71 0.00 0.00 52.86 53.11 3laq s ASN 108 Cb 0.00 -1.87 0.00 0.00 0.41 0.00 0.00 41.25 39.79 3laq s ASN 108 CO 0.00 -1.18 0.00 0.00 -1.51 0.00 0.00 177.10 174.41 3laq n GLN 109 N -2.79 0.00 -0.02 -0.60 1.13 -1.26 -5.05 117.38 108.79 3laq n GLN 109 Ca 0.06 0.00 -0.00 0.00 -1.94 0.00 0.00 57.00 55.11 3laq n GLN 109 Cb 0.57 0.00 -0.00 0.00 0.11 0.00 0.00 30.24 30.92 3laq n GLN 109 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 3laq n LYS 110 N 0.00 -0.02 -2.85 -1.09 0.00 -1.26 -4.68 118.16 108.26 3laq n LYS 110 Ca 0.00 0.28 -0.10 0.00 -0.00 0.00 0.00 58.31 58.49 3laq n LYS 110 Cb 0.00 -0.42 -0.02 0.00 -0.00 0.00 0.00 35.03 34.59 3laq n LYS 110 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 3laq n ARG 111 N -2.59 1.31 -2.95 -1.58 1.85 -1.25 -4.55 116.66 106.91 3laq n ARG 111 Ca 0.00 -1.19 -0.32 0.00 -1.00 0.00 0.00 57.85 55.34 3laq n ARG 111 Cb 0.01 0.43 -0.06 0.00 -1.05 0.00 0.00 32.46 31.79 3laq n ARG 111 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 177.63 175.48 3laq s PRO 112 N -2.57 4.07 0.34 2.89 0.02 -1.26 -4.77 135.00 133.72 3laq s PRO 112 Ca 0.03 0.85 0.07 0.00 0.02 0.00 0.00 61.00 61.96 3laq s PRO 112 Cb 0.00 -2.31 -0.03 0.00 0.02 0.00 0.00 34.50 32.18 3laq s PRO 112 CO 0.02 0.04 0.25 -2.67 -0.33 0.00 0.00 177.00 174.32 3laq n TRP 113 N -0.62 -0.64 -3.51 6.54 4.27 0.11 -1.15 117.44 122.45 3laq n TRP 113 Ca 0.05 -2.71 -0.09 0.00 -3.89 0.00 0.00 57.50 50.86 3laq n TRP 113 Cb 0.54 0.24 -0.02 0.00 -1.36 0.00 0.00 31.31 30.70 3laq n TRP 113 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3laq s TYR 115 N -2.86 3.03 -0.07 0.00 2.02 -1.26 -1.36 117.35 116.85 3laq s TYR 115 Ca 0.03 1.17 0.05 0.00 -0.37 0.00 0.00 57.07 57.95 3laq s TYR 115 Cb -0.01 -3.45 -0.01 0.00 -0.40 0.00 0.00 41.96 38.09 3laq s TYR 115 CO -0.07 -1.22 -0.21 0.08 -1.57 0.00 0.00 175.55 172.55 3laq s VAL 116 N 3.44 2.41 0.11 0.71 1.01 0.28 -0.98 120.40 127.38 3laq s VAL 116 Ca 0.51 -0.94 -0.29 0.00 0.00 0.00 0.00 61.98 61.26 3laq s VAL 116 Cb -0.19 -1.91 -0.06 0.00 0.00 0.00 0.00 36.38 34.22 3laq s VAL 116 CO 0.12 0.57 0.92 -1.58 0.00 0.00 0.00 175.10 175.13 3laq s GLN 117 N -0.17 4.68 -0.17 2.72 2.00 -1.26 -2.21 119.66 125.24 3laq s GLN 117 Ca -0.02 1.39 -0.05 0.00 -2.00 0.00 0.00 55.36 54.67 3laq s GLN 117 Cb -0.14 -3.36 0.08 0.00 0.80 0.00 0.00 33.01 30.39 3laq s GLN 117 CO 0.04 0.26 0.33 -1.50 -0.50 0.00 0.00 175.29 173.91 3laq s ILE 118 N -0.14 -0.52 0.00 -2.34 1.10 -1.12 -4.97 121.20 113.22 3laq s ILE 118 Ca 0.45 0.19 0.00 0.00 -0.51 0.00 0.00 60.65 60.78 3laq s ILE 118 Cb -0.23 -0.57 0.00 0.00 0.15 0.00 0.00 42.46 41.81 3laq s ILE 118 CO 0.29 0.07 0.00 0.61 -2.11 0.00 0.00 174.94 173.80 3laq n GLY 119 N 5.37 3.26 0.13 1.50 0.00 -1.26 -3.14 105.19 111.04 3laq n GLY 119 Ca -0.07 0.26 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 3laq n GLY 119 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3laq n LEU 120 N 0.00 2.49 -4.72 0.99 0.00 -1.26 -5.01 117.00 109.49 3laq n LEU 120 Ca 0.00 0.21 -0.30 0.00 0.00 0.00 0.00 56.01 55.92 3laq n LEU 120 Cb 0.00 -1.04 0.20 0.00 0.00 0.00 0.00 43.42 42.58 3laq n LEU 120 CO 0.00 0.73 0.70 -0.13 0.00 0.00 0.00 177.39 178.69 3laq s ARG 121 N -2.51 -0.09 -0.76 1.96 0.52 -1.19 -5.04 118.95 111.85 3laq s ARG 121 Ca -0.27 0.01 0.03 0.00 -0.52 0.00 0.00 55.73 54.98 3laq s ARG 121 Cb 0.07 -1.72 0.18 0.00 0.52 0.00 0.00 34.95 34.01 3laq s ARG 121 CO 0.69 -2.97 0.57 -0.65 0.02 0.00 0.00 175.30 172.96 3laq s GLN 122 N -5.43 2.69 0.52 3.54 1.11 -1.26 -2.78 119.66 118.05 3laq s GLN 122 Ca 0.69 -3.33 -0.22 0.00 0.01 0.00 0.00 55.36 52.51 3laq s GLN 122 Cb -0.11 -3.57 -0.06 0.00 -1.01 0.00 0.00 33.01 28.26 3laq s GLN 122 CO 0.55 -1.28 1.27 -0.06 0.01 0.00 0.00 175.29 175.78 3laq s PHE 123 N -1.43 2.52 -0.44 0.91 0.40 -0.94 -4.71 117.98 114.29 3laq s PHE 123 Ca 0.26 1.44 -0.20 0.00 -0.60 0.00 0.00 56.93 57.83 3laq s PHE 123 Cb -0.05 -3.62 0.02 0.00 0.51 0.00 0.00 43.02 39.88 3laq s PHE 123 CO -0.15 -2.32 0.58 0.54 0.70 0.00 0.00 175.22 174.56 3laq s VAL 124 N -1.41 4.91 0.34 -0.44 0.11 -1.26 0.10 120.40 122.74 3laq s VAL 124 Ca 0.69 -0.05 0.08 0.00 -2.93 0.00 0.00 61.98 59.77 3laq s VAL 124 Cb -0.35 -4.16 -0.04 0.00 -1.53 0.00 0.00 36.38 30.30 3laq s VAL 124 CO 0.42 -0.56 0.19 -1.10 -3.33 0.00 0.00 175.10 170.72 3laq s GLN 125 N 2.61 2.49 -0.11 1.54 -1.52 -0.46 -4.92 119.66 119.29 3laq s GLN 125 Ca 0.19 -1.46 -0.16 0.00 -1.95 0.00 0.00 55.36 51.98 3laq s GLN 125 Cb -0.15 -2.27 -0.05 0.00 -0.22 0.00 0.00 33.01 30.32 3laq s GLN 125 CO 0.17 0.12 0.41 -1.21 -0.25 0.00 0.00 175.29 174.53 3laq s GLU 126 N -3.89 4.22 1.25 2.91 2.02 -1.26 -0.49 118.70 123.46 3laq s GLU 126 Ca 0.38 0.34 -0.20 0.00 0.02 0.00 0.00 54.97 55.51 3laq s GLU 126 Cb -0.04 -3.39 0.31 0.00 0.10 0.00 0.00 34.13 31.11 3laq s GLU 126 CO 0.24 0.29 1.08 0.00 0.02 0.00 0.00 175.26 176.89 3laq n MET 128 N -4.95 0.51 0.00 0.00 2.81 -1.21 -4.43 117.12 109.84 3laq n MET 128 Ca 0.13 0.52 0.00 0.00 -1.81 0.00 0.00 57.70 56.54 3laq n MET 128 Cb 0.60 -1.69 0.00 0.00 -0.71 0.00 0.00 33.22 31.42 3laq n MET 128 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 3laq n VAL 129 N -4.51 0.00 -1.97 2.03 0.24 -1.26 -4.77 118.33 108.09 3laq n VAL 129 Ca -0.20 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 61.71 3laq n VAL 129 Cb 0.48 0.00 0.01 0.00 -1.47 0.00 0.00 33.84 32.87 3laq n VAL 129 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3laq s HIS 130 N 0.00 2.58 0.60 6.34 2.46 -1.26 -4.70 115.29 121.30 3laq s HIS 130 Ca 0.00 1.41 -0.16 0.00 0.47 0.00 0.00 55.06 56.78 3laq s HIS 130 Cb 0.00 -3.68 -0.03 0.00 -0.13 0.00 0.00 32.58 28.74 3laq s HIS 130 CO 0.00 -2.37 1.07 0.34 -2.47 0.00 0.00 174.74 171.31 3laq s ASP 131 N -0.95 5.65 0.00 9.88 2.15 -1.26 -2.38 116.67 129.77 3laq s ASP 131 Ca 0.65 1.90 0.28 0.00 0.43 0.00 0.00 52.55 55.81 3laq s ASP 131 Cb -0.37 -2.54 1.11 0.00 -0.30 0.00 0.00 42.92 40.82 3laq s ASP 131 CO 0.46 -1.26 1.78 0.00 -0.17 0.00 0.00 175.17 175.98