#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i7a s GLN 4 N 0.00 2.72 0.62 5.31 -1.52 -1.26 -5.09 119.66 120.43 1i7a s GLN 4 Ca 0.00 -1.15 -0.17 0.00 -1.95 0.00 0.00 55.36 52.08 1i7a s GLN 4 Cb 0.00 -2.44 -0.02 0.00 -0.22 0.00 0.00 33.01 30.33 1i7a s GLN 4 CO 0.00 0.40 1.17 -2.14 -0.25 0.00 0.00 175.29 174.47 1i7a s PRO 5 N -3.71 2.86 0.31 2.91 0.02 -1.26 -4.88 135.00 131.26 1i7a s PRO 5 Ca 0.32 1.69 0.07 0.00 0.02 0.00 0.00 61.00 63.10 1i7a s PRO 5 Cb -0.08 -1.93 0.85 0.00 0.02 0.00 0.00 34.50 33.36 1i7a s PRO 5 CO 0.23 -1.26 1.67 0.82 -0.33 0.00 0.00 177.00 178.13 1i7a h ILE 6 N 0.57 0.36 -1.63 2.83 2.04 -1.96 -3.41 117.51 116.30 1i7a h ILE 6 Ca -0.49 -0.11 0.08 0.00 1.00 0.00 0.00 64.86 65.34 1i7a h ILE 6 Cb 1.28 0.02 -0.26 0.00 -0.74 0.00 0.00 36.82 37.12 1i7a h ILE 6 CO 0.54 0.06 0.34 0.12 0.00 0.00 0.00 178.15 179.21 1i7a s PHE 7 N -5.83 -0.62 0.01 1.37 5.36 -1.26 -4.99 117.98 112.02 1i7a s PHE 7 Ca -0.11 1.31 0.02 0.00 -0.96 0.00 0.00 56.93 57.19 1i7a s PHE 7 Cb 0.27 0.39 -0.01 0.00 -0.34 0.00 0.00 43.02 43.33 1i7a s PHE 7 CO 0.78 -0.31 -0.05 -0.08 -1.46 0.00 0.00 175.22 174.10 1i7a s THR 8 N 1.03 0.39 0.29 0.12 -1.32 -1.26 -1.15 115.64 113.74 1i7a s THR 8 Ca -0.05 -0.47 -0.03 0.00 -1.21 0.00 0.00 61.69 59.93 1i7a s THR 8 Cb -0.04 -0.38 0.01 0.00 -1.51 0.00 0.00 72.50 70.58 1i7a s THR 8 CO -0.13 -0.06 0.43 1.07 -2.21 0.00 0.00 174.62 173.72 1i7a n THR 9 N 2.49 0.00 -4.69 5.08 5.66 -0.00 -4.97 114.28 117.84 1i7a n THR 9 Ca -0.16 -1.34 -0.24 0.00 -3.05 0.00 0.00 64.05 59.25 1i7a n THR 9 Cb 0.57 0.87 -0.16 0.00 -1.55 0.00 0.00 70.33 70.07 1i7a n THR 9 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1i7a s ARG 10 N -2.56 1.58 0.26 1.09 0.52 -1.26 -0.49 118.95 118.09 1i7a s ARG 10 Ca 0.22 -0.51 -0.21 0.00 -0.52 0.00 0.00 55.73 54.71 1i7a s ARG 10 Cb -0.01 -1.38 0.03 0.00 0.52 0.00 0.00 34.95 34.11 1i7a s ARG 10 CO 0.16 0.18 0.69 0.00 0.02 0.00 0.00 175.30 176.35 1i7a s ALA 11 N 0.18 -1.25 0.01 2.13 0.00 -0.62 -4.69 121.76 117.52 1i7a s ALA 11 Ca -0.06 -0.19 -0.17 0.00 0.00 0.00 0.00 51.96 51.54 1i7a s ALA 11 Cb -0.12 0.86 -0.06 0.00 0.00 0.00 0.00 23.12 23.81 1i7a s ALA 11 CO 0.02 -0.99 0.47 -1.01 0.00 0.00 0.00 175.76 174.25 1i7a s HIS 12 N -3.89 3.73 -0.12 0.00 3.76 -0.36 -1.28 115.29 117.12 1i7a s HIS 12 Ca 0.10 1.08 -0.02 0.00 -0.15 0.00 0.00 55.06 56.06 1i7a s HIS 12 Cb -0.05 -2.39 -0.03 0.00 1.11 0.00 0.00 32.58 31.22 1i7a s HIS 12 CO 0.04 0.57 -0.04 0.08 -0.85 0.00 0.00 174.74 174.53 1i7a s VAL 13 N -0.89 3.87 0.10 -0.90 1.01 -1.26 -0.62 120.40 121.71 1i7a s VAL 13 Ca 0.26 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 61.88 1i7a s VAL 13 Cb -0.17 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 1i7a s VAL 13 CO 0.15 0.55 -0.09 -0.36 0.00 0.00 0.00 175.10 175.34 1i7a s PHE 14 N -0.20 1.06 0.09 5.22 0.40 0.04 0.10 117.98 124.68 1i7a s PHE 14 Ca 0.03 -0.72 -0.13 0.00 -0.60 0.00 0.00 56.93 55.52 1i7a s PHE 14 Cb -0.13 -0.58 0.02 0.00 0.51 0.00 0.00 43.02 42.84 1i7a s PHE 14 CO 0.02 -0.01 0.30 1.14 0.70 0.00 0.00 175.22 177.37 1i7a s GLN 15 N -3.12 0.92 0.43 0.44 -2.07 -0.77 0.01 119.66 115.50 1i7a s GLN 15 Ca 0.08 -0.75 0.07 0.00 -1.82 0.00 0.00 55.36 52.94 1i7a s GLN 15 Cb -0.01 0.39 -0.05 0.00 -1.09 0.00 0.00 33.01 32.26 1i7a s GLN 15 CO -0.01 -0.32 0.16 0.42 -1.32 0.00 0.00 175.29 174.22 1i7a s ILE 16 N -3.52 2.15 0.00 3.63 1.01 -0.66 -1.70 121.20 122.11 1i7a s ILE 16 Ca 0.02 -1.75 0.00 0.00 0.00 0.00 0.00 60.65 58.92 1i7a s ILE 16 Cb 0.02 -2.89 0.00 0.00 0.01 0.00 0.00 42.46 39.60 1i7a s ILE 16 CO -0.10 0.00 0.00 -3.20 0.00 0.00 0.00 174.94 171.64 1i7a n ASN 23 N -1.23 0.00 -4.75 3.58 2.85 -1.26 -3.50 115.26 110.94 1i7a n ASN 23 Ca -0.03 0.00 -0.33 0.00 -0.11 0.00 0.00 54.58 54.11 1i7a n ASN 23 Cb 0.65 0.00 0.07 0.00 1.24 0.00 0.00 39.78 41.74 1i7a n ASN 23 CO 0.00 0.00 0.00 0.26 -2.11 0.00 0.00 177.26 175.41 1i7a s TRP 24 N 0.00 2.39 -0.02 1.20 0.52 -1.26 -5.07 118.94 116.70 1i7a s TRP 24 Ca 0.00 1.58 -0.01 0.00 0.02 0.00 0.00 56.10 57.69 1i7a s TRP 24 Cb 0.00 -3.29 0.01 0.00 -1.15 0.00 0.00 33.47 29.05 1i7a s TRP 24 CO 0.00 -2.05 0.04 0.54 0.02 0.00 0.00 176.95 175.50 1i7a s VAL 25 N -2.21 -0.02 0.24 4.03 0.11 -0.69 -4.97 120.40 116.89 1i7a s VAL 25 Ca 0.70 0.08 -0.30 0.00 -2.93 0.00 0.00 61.98 59.53 1i7a s VAL 25 Cb -0.24 -0.08 -0.10 0.00 -1.53 0.00 0.00 36.38 34.44 1i7a s VAL 25 CO 0.43 0.03 1.36 -2.16 -3.33 0.00 0.00 175.10 171.44 1i7a s PRO 26 N 0.42 4.33 -0.00 1.54 0.04 -1.26 -1.85 135.00 138.22 1i7a s PRO 26 Ca -0.03 2.18 0.08 0.00 0.04 0.00 0.00 61.00 63.27 1i7a s PRO 26 Cb -0.05 -3.14 -0.09 0.00 0.04 0.00 0.00 34.50 31.26 1i7a s PRO 26 CO -0.01 -0.31 0.32 0.00 0.04 0.00 0.00 177.00 177.04 1i7a n ALA 27 N 2.20 2.95 -2.45 8.56 0.00 0.11 -4.90 120.51 126.98 1i7a n ALA 27 Ca 0.05 -0.22 -0.27 0.00 0.00 0.00 0.00 53.44 53.00 1i7a n ALA 27 Cb 0.42 -0.29 -0.14 0.00 0.00 0.00 0.00 19.45 19.43 1i7a n ALA 27 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1i7a s SER 28 N -1.92 2.72 0.47 0.00 1.04 -1.20 -4.95 113.70 109.86 1i7a s SER 28 Ca 0.02 -0.58 0.15 0.00 0.48 0.00 0.00 55.95 56.03 1i7a s SER 28 Cb 0.06 -0.22 1.09 0.00 0.10 0.00 0.00 66.02 67.05 1i7a s SER 28 CO 0.33 0.17 2.04 0.11 0.98 0.00 0.00 173.24 176.88 1i7a h LYS 29 N 4.68 0.00 0.00 4.02 1.57 -1.94 -3.46 116.57 121.45 1i7a h LYS 29 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1i7a h LYS 29 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1i7a h LYS 29 CO 0.43 0.13 0.00 0.00 -0.57 0.00 0.00 179.45 179.44 1i7a n GLN 30 N -4.38 0.00 -2.25 3.15 -0.00 -1.26 -5.12 117.38 107.52 1i7a n GLN 30 Ca -0.03 0.00 -0.42 0.00 -0.00 0.00 0.00 57.00 56.55 1i7a n GLN 30 Cb 0.20 0.00 -0.03 0.00 -0.00 0.00 0.00 30.24 30.41 1i7a n GLN 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1i7a s ALA 31 N -1.00 3.55 0.43 2.61 0.00 -1.26 -4.64 121.76 121.46 1i7a s ALA 31 Ca 0.00 0.91 0.05 0.00 0.00 0.00 0.00 51.96 52.91 1i7a s ALA 31 Cb 0.00 -3.56 -0.05 0.00 0.00 0.00 0.00 23.12 19.51 1i7a s ALA 31 CO 0.00 -0.78 0.02 0.14 0.00 0.00 0.00 175.76 175.14 1i7a s VAL 32 N 1.95 1.58 0.11 0.00 -7.23 -0.41 -4.85 120.40 111.55 1i7a s VAL 32 Ca 0.63 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 58.53 1i7a s VAL 32 Cb -0.32 -2.68 -0.07 0.00 0.56 0.00 0.00 36.38 33.88 1i7a s VAL 32 CO 0.27 0.00 0.83 -0.89 -0.31 0.00 0.00 175.10 175.00 1i7a s THR 33 N -2.85 4.52 -0.11 5.32 2.01 -1.26 -1.59 115.64 121.69 1i7a s THR 33 Ca 0.25 1.80 -0.00 0.00 0.31 0.00 0.00 61.69 64.05 1i7a s THR 33 Cb 0.07 -4.19 0.02 0.00 0.01 0.00 0.00 72.50 68.41 1i7a s THR 33 CO 0.13 0.41 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.70 1i7a s VAL 34 N -0.44 1.01 0.09 3.82 1.01 0.36 -4.27 120.40 121.98 1i7a s VAL 34 Ca 0.40 -0.29 0.04 0.00 0.00 0.00 0.00 61.98 62.13 1i7a s VAL 34 Cb -0.22 -1.02 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 1i7a s VAL 34 CO 0.26 0.36 -0.11 -0.44 0.00 0.00 0.00 175.10 175.17 1i7a s SER 35 N 1.59 1.55 -0.17 3.32 0.01 -0.67 -0.82 113.70 118.51 1i7a s SER 35 Ca 0.03 -0.77 -0.10 0.00 1.31 0.00 0.00 55.95 56.42 1i7a s SER 35 Cb -0.13 -0.01 -0.05 0.00 0.21 0.00 0.00 66.02 66.04 1i7a s SER 35 CO -0.07 -0.21 0.16 -0.31 0.41 0.00 0.00 173.24 173.22 1i7a s TYR 36 N -2.17 3.48 0.13 2.43 1.51 -0.30 0.20 117.35 122.64 1i7a s TYR 36 Ca 0.04 0.44 0.06 0.00 -1.01 0.00 0.00 57.07 56.60 1i7a s TYR 36 Cb -0.05 -2.12 -0.04 0.00 -0.11 0.00 0.00 41.96 39.65 1i7a s TYR 36 CO 0.01 0.43 -0.15 -0.06 -1.11 0.00 0.00 175.55 174.68 1i7a s PHE 37 N -0.10 1.47 -0.27 2.71 0.08 0.95 -3.10 117.98 119.73 1i7a s PHE 37 Ca 0.12 -0.55 -0.10 0.00 0.12 0.00 0.00 56.93 56.51 1i7a s PHE 37 Cb -0.12 -0.76 -0.05 0.00 -0.57 0.00 0.00 43.02 41.53 1i7a s PHE 37 CO 0.01 0.18 0.17 -0.47 -0.10 0.00 0.00 175.22 175.01 1i7a s TYR 38 N -2.21 3.22 -0.72 0.36 5.04 -1.26 0.02 117.35 121.79 1i7a s TYR 38 Ca 0.11 0.07 -0.20 0.00 -2.44 0.00 0.00 57.07 54.61 1i7a s TYR 38 Cb -0.04 -2.35 0.11 0.00 0.35 0.00 0.00 41.96 40.03 1i7a s TYR 38 CO 0.04 -0.15 0.91 0.34 -1.34 0.00 0.00 175.55 175.34 1i7a s ASP 39 N 1.64 6.33 0.11 4.32 -1.08 0.45 -4.92 116.67 123.53 1i7a s ASP 39 Ca 0.07 -1.53 -0.23 0.00 -0.52 0.00 0.00 52.55 50.34 1i7a s ASP 39 Cb -0.16 -2.36 -0.09 0.00 -1.46 0.00 0.00 42.92 38.86 1i7a s ASP 39 CO 0.09 -1.18 1.70 -0.37 0.52 0.00 0.00 175.17 175.94 1i7a h VAL 40 N 5.85 0.79 -0.70 1.11 -1.51 -1.96 0.40 116.25 120.22 1i7a h VAL 40 Ca -0.15 0.00 0.09 0.00 -1.23 0.00 0.00 66.70 65.41 1i7a h VAL 40 Cb 1.06 0.79 -0.11 0.00 -2.13 0.00 0.00 31.29 30.90 1i7a h VAL 40 CO 1.11 0.00 -0.49 0.74 -1.23 0.00 0.00 177.57 177.70 1i7a h THR 41 N -0.12 0.04 -0.01 7.19 2.02 -1.96 -1.82 112.91 118.25 1i7a h THR 41 Ca 0.04 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.22 1i7a h THR 41 Cb 0.17 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.62 1i7a h THR 41 CO -0.10 0.00 -0.21 0.54 0.37 0.00 0.00 175.52 176.12 1i7a n ARG 42 N -5.37 0.75 -3.43 6.66 1.74 -1.13 -4.99 116.66 110.89 1i7a n ARG 42 Ca 0.02 -0.38 -0.15 0.00 -0.77 0.00 0.00 57.85 56.57 1i7a n ARG 42 Cb 0.33 -1.49 0.01 0.00 -1.02 0.00 0.00 32.46 30.29 1i7a n ARG 42 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1i7a n ASN 43 N -0.79 -6.32 -3.59 0.55 3.02 0.14 -5.00 115.26 103.27 1i7a n ASN 43 Ca 0.13 -0.57 -0.04 0.00 -0.03 0.00 0.00 54.58 54.06 1i7a n ASN 43 Cb 0.32 -3.74 -0.02 0.00 -0.61 0.00 0.00 39.78 35.73 1i7a n ASN 43 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1i7a s SER 44 N -3.10 -0.17 0.08 6.41 1.04 -1.11 -5.03 113.70 111.82 1i7a s SER 44 Ca 0.11 -0.04 -0.08 0.00 0.48 0.00 0.00 55.95 56.42 1i7a s SER 44 Cb -0.04 0.21 -0.05 0.00 0.10 0.00 0.00 66.02 66.24 1i7a s SER 44 CO 0.82 -0.35 0.36 -0.31 0.98 0.00 0.00 173.24 174.74 1i7a s TYR 45 N -2.60 3.55 -0.05 5.02 1.51 -1.26 -0.41 117.35 123.11 1i7a s TYR 45 Ca 0.09 0.67 0.02 0.00 -1.01 0.00 0.00 57.07 56.85 1i7a s TYR 45 Cb -0.00 -2.07 0.01 0.00 -0.11 0.00 0.00 41.96 39.79 1i7a s TYR 45 CO -0.05 0.52 -0.10 0.50 -1.11 0.00 0.00 175.55 175.31 1i7a s ARG 46 N -2.09 1.30 -0.26 -0.62 6.06 0.10 -1.91 118.95 121.54 1i7a s ARG 46 Ca 0.34 -0.33 -0.19 0.00 -2.50 0.00 0.00 55.73 53.05 1i7a s ARG 46 Cb -0.13 -1.15 -0.02 0.00 0.06 0.00 0.00 34.95 33.71 1i7a s ARG 46 CO 0.19 0.05 0.57 0.42 -2.50 0.00 0.00 175.30 174.03 1i7a s ILE 47 N 0.53 5.02 -0.05 4.11 1.01 0.27 -0.03 121.20 132.06 1i7a s ILE 47 Ca -0.10 0.97 0.06 0.00 0.00 0.00 0.00 60.65 61.58 1i7a s ILE 47 Cb -0.13 -3.89 -0.01 0.00 0.01 0.00 0.00 42.46 38.44 1i7a s ILE 47 CO 0.02 0.04 -0.22 -0.63 0.00 0.00 0.00 174.94 174.14 1i7a s ILE 48 N 2.42 1.82 -0.08 2.92 1.01 0.13 -1.21 121.20 128.20 1i7a s ILE 48 Ca 0.24 -0.95 -0.04 0.00 0.00 0.00 0.00 60.65 59.90 1i7a s ILE 48 Cb -0.15 -1.54 0.04 0.00 0.01 0.00 0.00 42.46 40.82 1i7a s ILE 48 CO 0.09 0.51 0.19 -0.55 0.00 0.00 0.00 174.94 175.18 1i7a s SER 49 N -0.17 -0.15 0.12 3.58 0.15 -0.35 -1.66 113.70 115.22 1i7a s SER 49 Ca -0.01 0.40 0.10 0.00 0.70 0.00 0.00 55.95 57.14 1i7a s SER 49 Cb -0.12 0.29 -0.04 0.00 -1.71 0.00 0.00 66.02 64.44 1i7a s SER 49 CO 0.02 -0.16 -0.26 0.68 1.20 0.00 0.00 173.24 174.72 1i7a s VAL 50 N 1.27 2.17 -0.36 4.45 -7.23 -1.26 -0.31 120.40 119.13 1i7a s VAL 50 Ca -0.09 -1.70 0.01 0.00 -1.81 0.00 0.00 61.98 58.39 1i7a s VAL 50 Cb -0.11 -1.92 0.15 0.00 0.56 0.00 0.00 36.38 35.05 1i7a s VAL 50 CO -0.07 0.09 0.27 -0.62 -0.31 0.00 0.00 175.10 174.45 1i7a s ASP 51 N -1.98 2.36 1.18 4.85 2.15 0.11 -4.66 116.67 120.68 1i7a s ASP 51 Ca 0.13 -1.99 0.00 0.00 0.43 0.00 0.00 52.55 51.12 1i7a s ASP 51 Cb -0.10 -0.08 0.00 0.00 -0.30 0.00 0.00 42.92 42.45 1i7a s ASP 51 CO 0.05 -0.29 0.00 0.61 -0.17 0.00 0.00 175.17 175.37 1i7a n GLY 52 N 4.10 2.33 0.07 2.66 0.00 -1.26 -3.05 105.19 110.04 1i7a n GLY 52 Ca 0.12 -0.40 0.15 0.00 0.00 0.00 0.00 46.02 45.89 1i7a n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i7a n ALA 53 N 9.81 2.64 -2.53 4.61 0.00 -1.26 -4.89 120.51 128.89 1i7a n ALA 53 Ca 0.00 -0.22 -0.23 0.00 0.00 0.00 0.00 53.44 52.99 1i7a n ALA 53 Cb 0.00 -1.43 -0.12 0.00 0.00 0.00 0.00 19.45 17.90 1i7a n ALA 53 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1i7a s LYS 54 N -2.35 1.13 -0.33 0.00 -2.85 -1.17 -5.10 119.74 109.08 1i7a s LYS 54 Ca 0.34 -1.21 -0.11 0.00 -1.00 0.00 0.00 55.97 54.00 1i7a s LYS 54 Cb 0.21 -1.32 -0.00 0.00 -2.06 0.00 0.00 37.83 34.65 1i7a s LYS 54 CO 0.43 0.30 0.19 0.54 0.10 0.00 0.00 175.35 176.91 1i7a s VAL 55 N -1.40 4.78 -0.85 1.79 0.11 -1.26 0.05 120.40 123.62 1i7a s VAL 55 Ca 0.08 -0.43 0.23 0.00 -2.93 0.00 0.00 61.98 58.93 1i7a s VAL 55 Cb -0.09 -3.48 -0.09 0.00 -1.53 0.00 0.00 36.38 31.19 1i7a s VAL 55 CO 0.05 -0.00 1.15 2.30 -3.33 0.00 0.00 175.10 175.27 1i7a n ILE 56 N 5.02 0.07 -3.72 7.04 -5.35 0.58 -4.82 119.36 118.18 1i7a n ILE 56 Ca -0.13 -0.09 -0.15 0.00 -0.27 0.00 0.00 62.75 62.11 1i7a n ILE 56 Cb 0.49 0.40 -0.15 0.00 -1.74 0.00 0.00 39.64 38.64 1i7a n ILE 56 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1i7a s ILE 57 N -3.07 -0.11 -0.44 7.28 1.01 -1.04 -4.96 121.20 119.86 1i7a s ILE 57 Ca 0.08 0.24 0.07 0.00 0.00 0.00 0.00 60.65 61.04 1i7a s ILE 57 Cb 0.16 -0.25 0.28 0.00 0.01 0.00 0.00 42.46 42.65 1i7a s ILE 57 CO 0.78 0.10 0.81 -3.20 0.00 0.00 0.00 174.94 173.43 1i7a n ASN 58 N 4.56 -1.37 -4.44 3.58 2.85 -1.17 -1.21 115.26 118.06 1i7a n ASN 58 Ca -0.20 -3.18 -0.37 0.00 -0.11 0.00 0.00 54.58 50.73 1i7a n ASN 58 Cb 0.51 0.80 -0.12 0.00 1.24 0.00 0.00 39.78 42.21 1i7a n ASN 58 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1i7a s SER 59 N -1.58 5.19 -0.11 1.20 0.15 -0.35 -4.91 113.70 113.28 1i7a s SER 59 Ca 0.32 -0.30 -0.28 0.00 0.70 0.00 0.00 55.95 56.40 1i7a s SER 59 Cb 0.24 -1.93 -0.02 0.00 -1.71 0.00 0.00 66.02 62.61 1i7a s SER 59 CO -0.14 -0.07 0.92 -0.89 1.20 0.00 0.00 173.24 174.25 1i7a s THR 60 N 1.60 4.85 -0.32 6.45 2.01 -1.26 -0.57 115.64 128.41 1i7a s THR 60 Ca 0.06 1.86 -0.17 0.00 0.31 0.00 0.00 61.69 63.74 1i7a s THR 60 Cb -0.16 -4.23 -0.01 0.00 0.01 0.00 0.00 72.50 68.11 1i7a s THR 60 CO 0.04 0.06 0.49 -0.63 -0.69 0.00 0.00 174.62 173.88 1i7a s ILE 61 N 1.79 5.06 0.36 1.82 -1.09 -0.80 -5.00 121.20 123.34 1i7a s ILE 61 Ca 0.45 0.46 0.07 0.00 -2.23 0.00 0.00 60.65 59.40 1i7a s ILE 61 Cb -0.18 -3.89 -0.02 0.00 -1.58 0.00 0.00 42.46 36.79 1i7a s ILE 61 CO 0.18 -0.10 0.37 0.42 -1.23 0.00 0.00 174.94 174.58 1i7a s THR 62 N 2.31 3.42 0.38 2.92 -4.23 -1.26 -4.58 115.64 114.60 1i7a s THR 62 Ca 0.18 -1.25 0.08 0.00 -1.18 0.00 0.00 61.69 59.53 1i7a s THR 62 Cb -0.16 -3.18 0.31 0.00 1.34 0.00 0.00 72.50 70.81 1i7a s THR 62 CO 0.12 -0.12 1.95 -0.65 -0.54 0.00 0.00 174.62 175.38 1i7a h PRO 63 N 1.07 0.64 -0.01 3.99 0.11 -1.87 -2.53 132.00 133.40 1i7a h PRO 63 Ca -0.44 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1i7a h PRO 63 Cb 1.26 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1i7a h PRO 63 CO 0.56 0.42 0.00 0.27 -0.21 0.00 0.00 178.00 179.04 1i7a n ASN 64 N -4.49 0.58 -4.80 -2.05 6.94 -1.26 -4.87 115.26 105.31 1i7a n ASN 64 Ca 0.12 -1.20 -0.37 0.00 -0.02 0.00 0.00 54.58 53.10 1i7a n ASN 64 Cb 0.30 -0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.66 1i7a n ASN 64 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1i7a s MET 65 N -2.00 4.38 -0.02 -3.83 -1.94 -0.96 -5.08 119.30 109.86 1i7a s MET 65 Ca 0.44 1.01 0.03 0.00 -1.71 0.00 0.00 55.69 55.46 1i7a s MET 65 Cb 0.21 -2.97 -0.00 0.00 2.01 0.00 0.00 34.83 34.08 1i7a s MET 65 CO 0.35 0.43 -0.11 0.95 -0.01 0.00 0.00 175.02 176.63 1i7a s THR 66 N -1.43 0.96 -0.31 2.05 -4.23 -1.26 -4.95 115.64 106.47 1i7a s THR 66 Ca 0.42 -0.47 -0.15 0.00 -1.18 0.00 0.00 61.69 60.31 1i7a s THR 66 Cb -0.19 -0.83 -0.03 0.00 1.34 0.00 0.00 72.50 72.80 1i7a s THR 66 CO 0.23 0.29 0.35 0.12 -0.54 0.00 0.00 174.62 175.06 1i7a s PHE 67 N 0.03 3.22 -0.21 3.99 5.36 -1.26 -4.21 117.98 124.90 1i7a s PHE 67 Ca -0.01 0.16 -0.07 0.00 -0.96 0.00 0.00 56.93 56.05 1i7a s PHE 67 Cb -0.08 -2.61 -0.03 0.00 -0.34 0.00 0.00 43.02 39.96 1i7a s PHE 67 CO 0.01 -0.33 0.05 0.99 -1.46 0.00 0.00 175.22 174.47 1i7a s THR 68 N 2.02 4.39 -0.33 0.12 2.01 0.18 -4.92 115.64 119.11 1i7a s THR 68 Ca 0.13 -0.16 -0.28 0.00 0.31 0.00 0.00 61.69 61.68 1i7a s THR 68 Cb -0.16 -3.00 0.02 0.00 0.01 0.00 0.00 72.50 69.36 1i7a s THR 68 CO 0.11 0.41 1.05 -0.75 -0.69 0.00 0.00 174.62 174.75 1i7a s LYS 69 N 0.96 4.02 -0.00 4.92 2.20 -1.26 -1.27 119.74 129.31 1i7a s LYS 69 Ca 0.03 0.98 0.12 0.00 -0.36 0.00 0.00 55.97 56.73 1i7a s LYS 69 Cb -0.14 -3.75 0.34 0.00 -1.51 0.00 0.00 37.83 32.77 1i7a s LYS 69 CO 0.03 -0.92 1.28 0.25 -0.36 0.00 0.00 175.35 175.63 1i7a n THR 70 N 5.92 1.00 -3.62 3.43 -2.24 -0.96 -5.01 114.28 112.79 1i7a n THR 70 Ca 0.11 -1.00 0.00 0.00 -2.27 0.00 0.00 64.05 60.89 1i7a n THR 70 Cb 0.47 0.50 -0.01 0.00 -2.10 0.00 0.00 70.33 69.19 1i7a n THR 70 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1i7a s SER 71 N -1.00 -0.08 0.00 3.42 0.15 -1.07 -4.92 113.70 110.20 1i7a s SER 71 Ca 0.26 -0.12 0.19 0.00 0.70 0.00 0.00 55.95 56.97 1i7a s SER 71 Cb 0.13 0.17 0.82 0.00 -1.71 0.00 0.00 66.02 65.43 1i7a s SER 71 CO 0.17 -0.32 1.60 0.00 1.20 0.00 0.00 173.24 175.90 1i7a n GLN 72 N -0.42 0.02 -0.04 5.44 3.00 -1.26 -3.40 117.38 120.73 1i7a n GLN 72 Ca -0.07 0.17 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 1i7a n GLN 72 Cb 0.62 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.36 1i7a n GLN 72 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1i7a n LYS 73 N -1.49 0.13 -4.12 -1.09 5.02 -1.26 -4.28 118.16 111.07 1i7a n LYS 73 Ca 0.05 -0.59 -0.15 0.00 -2.02 0.00 0.00 58.31 55.60 1i7a n LYS 73 Cb 0.22 -0.52 -0.14 0.00 -0.02 0.00 0.00 35.03 34.56 1i7a n LYS 73 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1i7a s PHE 74 N -0.05 0.41 0.10 2.13 5.36 -1.22 -0.80 117.98 123.91 1i7a s PHE 74 Ca 0.00 -0.09 -0.09 0.00 -0.96 0.00 0.00 56.93 55.79 1i7a s PHE 74 Cb 0.00 -0.26 0.00 0.00 -0.34 0.00 0.00 43.02 42.42 1i7a s PHE 74 CO 0.00 -0.01 0.22 0.20 -1.46 0.00 0.00 175.22 174.17 1i7a s GLY 75 N -0.14 0.10 0.16 13.12 0.00 -0.98 -2.27 107.32 117.31 1i7a s GLY 75 Ca 0.01 -0.59 -0.07 0.00 0.00 0.00 0.00 44.72 44.07 1i7a s GLY 75 CO -0.00 -0.76 0.24 -0.86 0.00 0.00 0.00 173.10 171.72 1i7a s GLN 76 N -3.87 1.13 -0.27 2.90 -2.07 -0.39 -1.16 119.66 115.92 1i7a s GLN 76 Ca 0.06 -1.24 -0.23 0.00 -1.82 0.00 0.00 55.36 52.13 1i7a s GLN 76 Cb 0.04 0.35 0.07 0.00 -1.09 0.00 0.00 33.01 32.39 1i7a s GLN 76 CO -0.10 -0.40 0.70 1.67 -1.32 0.00 0.00 175.29 175.85 1i7a s TRP 77 N -3.99 -0.83 0.08 9.60 -2.14 -0.82 0.52 118.94 121.37 1i7a s TRP 77 Ca 0.19 1.94 -0.21 0.00 2.66 0.00 0.00 56.10 60.68 1i7a s TRP 77 Cb 0.04 0.33 -0.07 0.00 -3.10 0.00 0.00 33.47 30.67 1i7a s TRP 77 CO 0.01 -0.40 0.61 0.00 -2.66 0.00 0.00 176.95 174.51 1i7a s ALA 78 N 0.60 3.55 -0.51 2.67 0.00 -1.26 -1.52 121.76 125.29 1i7a s ALA 78 Ca -0.02 0.10 0.04 0.00 0.00 0.00 0.00 51.96 52.08 1i7a s ALA 78 Cb -0.05 -2.71 0.13 0.00 0.00 0.00 0.00 23.12 20.49 1i7a s ALA 78 CO -0.03 0.36 0.25 0.34 0.00 0.00 0.00 175.76 176.67 1i7a s ASP 79 N -1.03 4.33 0.21 0.00 -1.08 -0.32 -4.78 116.67 114.01 1i7a s ASP 79 Ca 0.31 -2.96 -0.09 0.00 -0.52 0.00 0.00 52.55 49.28 1i7a s ASP 79 Cb -0.20 -1.63 0.29 0.00 -1.46 0.00 0.00 42.92 39.91 1i7a s ASP 79 CO 0.20 -0.24 1.73 0.28 0.52 0.00 0.00 175.17 177.67 1i7a h SER 80 N 6.57 0.18 -0.23 -0.34 0.02 -1.96 0.13 113.55 117.92 1i7a h SER 80 Ca -0.08 0.09 0.07 0.00 -0.84 0.00 0.00 61.79 61.03 1i7a h SER 80 Cb 0.90 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 1i7a h SER 80 CO 0.68 0.10 0.35 -0.09 -1.14 0.00 0.00 176.83 176.74 1i7a h ARG 81 N 0.37 0.00 -0.04 3.45 2.43 -1.94 0.29 114.38 118.94 1i7a h ARG 81 Ca 0.31 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.48 1i7a h ARG 81 Cb 0.41 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1i7a h ARG 81 CO -0.33 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 178.13 1i7a n ALA 82 N -2.19 2.43 -2.96 2.80 0.00 -0.19 -4.98 120.51 115.42 1i7a n ALA 82 Ca 0.03 -0.64 -0.18 0.00 0.00 0.00 0.00 53.44 52.65 1i7a n ALA 82 Cb 0.48 -0.25 -0.00 0.00 0.00 0.00 0.00 19.45 19.68 1i7a n ALA 82 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1i7a n ASN 83 N 0.37 -3.95 -4.08 0.00 5.15 0.10 -4.94 115.26 107.91 1i7a n ASN 83 Ca 0.05 -0.14 -0.11 0.00 -0.60 0.00 0.00 54.58 53.79 1i7a n ASN 83 Cb 0.21 -3.30 -0.11 0.00 -0.53 0.00 0.00 39.78 36.05 1i7a n ASN 83 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1i7a s THR 84 N -2.81 0.45 -0.13 -0.44 -1.32 -1.07 -5.02 115.64 105.30 1i7a s THR 84 Ca 0.23 -1.42 -0.03 0.00 -1.21 0.00 0.00 61.69 59.25 1i7a s THR 84 Cb -0.12 -1.01 -0.03 0.00 -1.51 0.00 0.00 72.50 69.83 1i7a s THR 84 CO 0.28 -0.65 -0.01 -0.69 -2.21 0.00 0.00 174.62 171.34 1i7a s VAL 85 N -2.48 4.20 -0.09 5.08 1.01 -1.23 -1.17 120.40 125.71 1i7a s VAL 85 Ca -0.02 -0.27 -0.04 0.00 0.00 0.00 0.00 61.98 61.66 1i7a s VAL 85 Cb -0.02 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 1i7a s VAL 85 CO -0.03 0.54 0.06 -0.36 0.00 0.00 0.00 175.10 175.31 1i7a s PHE 86 N -0.19 3.35 -0.02 5.22 0.08 -0.57 -1.65 117.98 124.19 1i7a s PHE 86 Ca 0.05 0.33 0.02 0.00 0.12 0.00 0.00 56.93 57.45 1i7a s PHE 86 Cb -0.13 -1.85 0.00 0.00 -0.57 0.00 0.00 43.02 40.48 1i7a s PHE 86 CO 0.02 0.59 -0.08 0.20 -0.10 0.00 0.00 175.22 175.84 1i7a s GLY 87 N -1.00 0.46 -0.06 4.36 0.00 0.10 -1.94 107.32 109.25 1i7a s GLY 87 Ca 0.15 -0.32 0.05 0.00 0.00 0.00 0.00 44.72 44.60 1i7a s GLY 87 CO 0.04 -0.14 -0.22 1.08 0.00 0.00 0.00 173.10 173.86 1i7a s LEU 88 N 0.07 2.00 -0.24 0.66 1.43 -0.31 -0.78 118.68 121.52 1i7a s LEU 88 Ca -0.01 -0.45 -0.03 0.00 -1.03 0.00 0.00 54.13 52.61 1i7a s LEU 88 Cb -0.06 -1.21 0.01 0.00 0.03 0.00 0.00 46.19 44.95 1i7a s LEU 88 CO 0.00 0.20 -0.04 -0.83 0.23 0.00 0.00 176.35 175.91 1i7a s GLY 89 N -0.03 1.62 0.22 -3.19 0.00 0.20 -2.31 107.32 103.83 1i7a s GLY 89 Ca -0.05 -1.29 0.05 0.00 0.00 0.00 0.00 44.72 43.43 1i7a s GLY 89 CO 0.04 0.47 0.34 -1.36 0.00 0.00 0.00 173.10 172.59 1i7a s PHE 90 N 1.43 3.44 -0.66 1.90 0.40 0.02 -1.23 117.98 123.28 1i7a s PHE 90 Ca 0.04 0.00 0.25 0.00 -0.60 0.00 0.00 56.93 56.62 1i7a s PHE 90 Cb -0.15 -1.58 0.46 0.00 0.51 0.00 0.00 43.02 42.25 1i7a s PHE 90 CO -0.03 0.46 1.44 0.66 0.70 0.00 0.00 175.22 178.44 1i7a h SER 91 N 1.38 0.00 -4.72 1.36 4.64 -1.87 -3.47 113.55 110.88 1i7a h SER 91 Ca -0.51 -0.15 -0.23 0.00 -0.47 0.00 0.00 61.79 60.42 1i7a h SER 91 Cb 1.22 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.14 1i7a h SER 91 CO 0.63 0.08 -0.71 -0.94 -0.87 0.00 0.00 176.83 175.01 1i7a s SER 92 N -4.35 0.97 0.24 4.97 1.04 -1.26 -5.04 113.70 110.27 1i7a s SER 92 Ca 0.07 -0.84 0.02 0.00 0.48 0.00 0.00 55.95 55.68 1i7a s SER 92 Cb 0.13 0.08 0.25 0.00 0.10 0.00 0.00 66.02 66.59 1i7a s SER 92 CO 0.69 -0.38 1.58 -0.33 0.98 0.00 0.00 173.24 175.78 1i7a h GLU 93 N 3.54 0.37 0.58 4.02 5.08 -1.91 -3.15 114.58 123.11 1i7a h GLU 93 Ca -0.35 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 57.77 1i7a h GLU 93 Cb 1.18 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1i7a h GLU 93 CO 0.56 0.80 -0.42 1.25 -1.00 0.00 0.00 179.01 180.20 1i7a h LEU 94 N 0.29 -1.10 -0.85 1.33 6.46 -1.96 -0.62 115.31 118.85 1i7a h LEU 94 Ca 0.01 0.07 0.20 0.00 -0.12 0.00 0.00 57.88 58.04 1i7a h LEU 94 Cb 1.01 0.34 -0.12 0.00 -0.73 0.00 0.00 40.66 41.16 1i7a h LEU 94 CO 0.09 -0.61 0.32 1.56 -0.62 0.00 0.00 178.44 179.17 1i7a h GLN 95 N -0.96 0.34 -0.67 1.25 4.20 -1.98 0.30 115.11 117.60 1i7a h GLN 95 Ca -0.08 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 1i7a h GLN 95 Cb 0.79 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.46 1i7a h GLN 95 CO 0.04 0.23 0.36 1.25 -0.67 0.00 0.00 178.83 180.04 1i7a h LEU 96 N 0.35 0.84 0.38 1.46 5.85 -1.46 -1.73 115.31 121.00 1i7a h LEU 96 Ca 0.51 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 59.12 1i7a h LEU 96 Cb 0.94 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.76 1i7a h LEU 96 CO -0.53 0.70 -0.18 0.74 -0.34 0.00 0.00 178.44 178.83 1i7a h THR 97 N 0.92 0.64 -0.08 1.05 2.02 0.11 -1.94 112.91 115.63 1i7a h THR 97 Ca 0.24 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.29 1i7a h THR 97 Cb 0.05 0.70 -0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1i7a h THR 97 CO -0.04 0.02 0.05 0.11 0.37 0.00 0.00 175.52 176.04 1i7a h LYS 98 N -0.57 0.10 -0.15 6.66 1.57 -1.00 -1.77 116.57 121.41 1i7a h LYS 98 Ca -0.05 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.59 1i7a h LYS 98 Cb 0.43 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1i7a h LYS 98 CO 0.08 0.06 -0.43 0.35 -0.57 0.00 0.00 179.45 178.94 1i7a h PHE 99 N 0.10 0.72 -0.04 -1.35 3.04 -1.10 -2.31 116.94 116.01 1i7a h PHE 99 Ca 0.03 -0.29 -0.04 0.00 3.98 0.00 0.00 57.97 61.65 1i7a h PHE 99 Cb -0.00 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 38.38 1i7a h PHE 99 CO -0.00 1.05 -0.18 0.00 -2.02 0.00 0.00 178.31 177.16 1i7a h ALA 100 N 0.54 1.64 -0.01 2.41 0.00 -0.84 -1.79 119.26 121.20 1i7a h ALA 100 Ca -0.01 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1i7a h ALA 100 Cb 1.05 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1i7a h ALA 100 CO 0.09 0.27 -0.01 0.93 0.00 0.00 0.00 179.25 180.53 1i7a h GLU 101 N 0.05 0.03 -0.63 0.00 5.08 -1.19 -2.35 114.58 115.56 1i7a h GLU 101 Ca 0.01 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1i7a h GLU 101 Cb 0.35 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.55 1i7a h GLU 101 CO 0.02 0.47 0.37 0.87 -1.00 0.00 0.00 179.01 179.75 1i7a h LYS 102 N -0.41 0.70 -0.64 2.33 1.79 -1.20 0.17 116.57 119.30 1i7a h LYS 102 Ca 0.00 -0.04 0.07 0.00 -2.18 0.00 0.00 60.65 58.50 1i7a h LYS 102 Cb 0.46 -0.16 -0.06 0.00 -1.58 0.00 0.00 32.23 30.89 1i7a h LYS 102 CO 0.00 0.46 0.33 0.35 -1.08 0.00 0.00 179.45 179.52 1i7a h PHE 103 N 0.72 0.60 -0.02 -1.35 3.04 -1.33 0.37 116.94 118.98 1i7a h PHE 103 Ca 0.27 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.24 1i7a h PHE 103 Cb 0.08 -0.17 -0.00 0.00 2.56 0.00 0.00 35.95 38.42 1i7a h PHE 103 CO -0.06 0.26 -0.00 0.37 -2.02 0.00 0.00 178.31 176.86 1i7a h GLN 104 N 0.60 0.00 0.70 1.11 5.75 -0.64 -0.51 115.11 122.12 1i7a h GLN 104 Ca 0.30 -0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.76 1i7a h GLN 104 Cb 0.24 -0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.80 1i7a h GLN 104 CO -0.21 0.00 -0.34 0.93 -2.65 0.00 0.00 178.83 176.56 1i7a h GLU 105 N 0.00 -0.91 -1.01 1.69 5.08 -0.28 -1.30 114.58 117.85 1i7a h GLU 105 Ca 0.01 0.06 0.24 0.00 -1.00 0.00 0.00 59.36 58.67 1i7a h GLU 105 Cb 0.01 0.21 -0.10 0.00 0.50 0.00 0.00 28.75 29.37 1i7a h GLU 105 CO -0.02 -0.57 0.64 0.28 -1.00 0.00 0.00 179.01 178.34 1i7a h VAL 106 N -1.10 0.57 -0.33 3.13 2.07 -0.28 0.65 116.25 120.95 1i7a h VAL 106 Ca -0.10 -0.16 -0.14 0.00 0.82 0.00 0.00 66.70 67.12 1i7a h VAL 106 Cb 0.75 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1i7a h VAL 106 CO 0.16 0.09 -0.37 -0.09 0.02 0.00 0.00 177.57 177.38 1i7a h ARG 107 N 0.48 0.76 -0.23 1.57 2.43 -0.91 -3.09 114.38 115.39 1i7a h ARG 107 Ca 0.59 -0.38 -0.02 0.00 -0.81 0.00 0.00 59.98 59.36 1i7a h ARG 107 Cb 1.34 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.88 1i7a h ARG 107 CO -0.32 1.00 0.07 1.49 -1.51 0.00 0.00 179.97 180.70 1i7a h GLU 108 N 0.63 0.36 -2.63 0.20 4.81 0.13 -3.05 114.58 115.03 1i7a h GLU 108 Ca 0.06 -0.08 -0.55 0.00 -0.13 0.00 0.00 59.36 58.65 1i7a h GLU 108 Cb 0.91 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.21 1i7a h GLU 108 CO 0.08 0.46 2.37 0.00 -0.73 0.00 0.00 179.01 181.19 1i7a n ALA 109 N -2.28 7.10 -0.31 2.92 0.00 0.76 -3.36 120.51 125.34 1i7a n ALA 109 Ca -0.03 -3.17 0.00 0.00 0.00 0.00 0.00 53.44 50.23 1i7a n ALA 109 Cb 0.16 -2.94 0.00 0.00 0.00 0.00 0.00 19.45 16.67 1i7a n ALA 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i7a n ALA 110 N 2.83 0.00 0.22 0.00 0.00 -1.15 -4.91 120.51 117.50 1i7a n ALA 110 Ca 0.66 0.00 0.03 0.00 0.00 0.00 0.00 53.44 54.12 1i7a n ALA 110 Cb 0.42 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.89 1i7a n ALA 110 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39