#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s3o n GLU 11 N 0.00 -2.16 -3.51 1.96 4.71 -1.26 -5.06 120.64 115.32 1s3o n GLU 11 Ca 0.00 1.55 -0.29 0.00 -0.01 0.00 0.00 57.16 58.41 1s3o n GLU 11 Cb 0.00 -2.01 -0.04 0.00 -1.01 0.00 0.00 31.44 28.38 1s3o n GLU 11 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1s3o s ARG 12 N -1.25 3.61 0.34 3.49 1.81 -1.26 -5.11 118.95 120.58 1s3o s ARG 12 Ca 0.00 -0.09 0.03 0.00 -1.72 0.00 0.00 55.73 53.95 1s3o s ARG 12 Cb 0.00 -2.74 -0.05 0.00 -0.45 0.00 0.00 34.95 31.71 1s3o s ARG 12 CO 0.00 0.33 0.10 -1.12 -0.68 0.00 0.00 175.30 173.92 1s3o s SER 13 N -2.96 2.25 -0.08 0.23 0.01 -1.26 -5.16 113.70 106.74 1s3o s SER 13 Ca 0.42 -1.50 0.01 0.00 1.31 0.00 0.00 55.95 56.19 1s3o s SER 13 Cb -0.11 0.21 0.02 0.00 0.21 0.00 0.00 66.02 66.35 1s3o s SER 13 CO 0.28 -0.77 -0.10 -0.22 0.41 0.00 0.00 173.24 172.83 1s3o s LEU 14 N -3.49 1.51 -0.21 2.44 0.20 -1.26 -5.09 118.68 112.78 1s3o s LEU 14 Ca 0.32 -0.29 -0.04 0.00 0.69 0.00 0.00 54.13 54.81 1s3o s LEU 14 Cb 0.06 -0.80 0.08 0.00 -0.43 0.00 0.00 46.19 45.10 1s3o s LEU 14 CO 0.15 -0.01 0.16 0.21 -0.29 0.00 0.00 176.35 176.56 1s3o s ASN 15 N 0.95 2.14 -0.21 3.68 3.84 -1.26 -5.11 114.94 118.98 1s3o s ASN 15 Ca -0.09 -0.59 -0.08 0.00 0.21 0.00 0.00 52.86 52.30 1s3o s ASN 15 Cb -0.15 0.01 0.09 0.00 -0.55 0.00 0.00 41.25 40.65 1s3o s ASN 15 CO 0.00 -0.36 0.45 -0.60 -2.79 0.00 0.00 177.10 173.81 1s3o s ARG 16 N 2.21 0.38 -0.03 0.43 3.52 -1.26 -4.49 118.95 119.71 1s3o s ARG 16 Ca 0.05 1.04 0.03 0.00 -0.13 0.00 0.00 55.73 56.72 1s3o s ARG 16 Cb -0.16 0.31 -0.03 0.00 -1.56 0.00 0.00 34.95 33.51 1s3o s ARG 16 CO -0.16 -0.22 -0.12 0.54 -0.81 0.00 0.00 175.30 174.53 1s3o s VAL 17 N 2.36 3.27 -0.17 7.11 0.11 0.87 -4.97 120.40 128.97 1s3o s VAL 17 Ca -0.04 -0.74 0.01 0.00 -2.93 0.00 0.00 61.98 58.28 1s3o s VAL 17 Cb -0.11 -2.33 0.02 0.00 -1.53 0.00 0.00 36.38 32.43 1s3o s VAL 17 CO -0.14 0.53 -0.20 -1.00 -3.33 0.00 0.00 175.10 170.96 1s3o s HIS 18 N -0.82 2.71 0.13 1.54 0.09 -1.26 -1.63 115.29 116.05 1s3o s HIS 18 Ca 0.13 -1.57 0.06 0.00 -0.00 0.00 0.00 55.06 53.68 1s3o s HIS 18 Cb -0.11 -1.88 -0.04 0.00 -0.00 0.00 0.00 32.58 30.56 1s3o s HIS 18 CO 0.03 -0.77 -0.14 -0.51 -0.00 0.00 0.00 174.74 173.34 1s3o s LEU 19 N 1.23 2.41 -0.21 0.89 1.43 0.25 -5.01 118.68 119.67 1s3o s LEU 19 Ca 0.03 -0.82 -0.07 0.00 -1.03 0.00 0.00 54.13 52.24 1s3o s LEU 19 Cb -0.13 -0.58 0.09 0.00 0.03 0.00 0.00 46.19 45.60 1s3o s LEU 19 CO -0.11 -0.14 0.44 -0.22 0.23 0.00 0.00 176.35 176.55 1s3o s LEU 20 N -2.50 -0.69 0.00 1.79 2.96 -1.26 -0.41 118.68 118.57 1s3o s LEU 20 Ca 0.10 1.04 0.00 0.00 -0.22 0.00 0.00 54.13 55.04 1s3o s LEU 20 Cb -0.05 1.43 0.00 0.00 0.50 0.00 0.00 46.19 48.07 1s3o s LEU 20 CO 0.03 -0.23 0.00 0.61 -1.32 0.00 0.00 176.35 175.44 1s3o n GLY 21 N 5.40 1.41 3.66 7.98 0.00 -0.75 -4.84 105.19 118.04 1s3o n GLY 21 Ca -0.09 -0.80 -0.37 0.00 0.00 0.00 0.00 46.02 44.76 1s3o n GLY 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1s3o s ARG 22 N -0.76 4.10 0.21 1.61 1.81 -1.18 0.18 118.95 124.93 1s3o s ARG 22 Ca 0.00 -0.08 -0.30 0.00 -1.72 0.00 0.00 55.73 53.63 1s3o s ARG 22 Cb 0.00 -3.55 -0.09 0.00 -0.45 0.00 0.00 34.95 30.86 1s3o s ARG 22 CO 0.00 -0.01 1.37 0.08 -0.68 0.00 0.00 175.30 176.06 1s3o s VAL 23 N 1.26 2.98 -0.07 3.52 1.01 -0.12 -1.79 120.40 127.20 1s3o s VAL 23 Ca 0.12 0.80 0.19 0.00 0.00 0.00 0.00 61.98 63.10 1s3o s VAL 23 Cb -0.14 -3.51 -0.29 0.00 0.00 0.00 0.00 36.38 32.43 1s3o s VAL 23 CO 0.06 0.12 0.34 0.61 0.00 0.00 0.00 175.10 176.23 1s3o n GLY 24 N 2.44 -0.92 3.23 4.51 0.00 -0.33 0.12 105.19 114.23 1s3o n GLY 24 Ca 0.07 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.52 1s3o n GLY 24 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1s3o s GLN 25 N -3.15 1.01 0.16 1.61 -2.07 -1.25 -4.83 119.66 111.14 1s3o s GLN 25 Ca -0.08 -1.43 -0.30 0.00 -1.82 0.00 0.00 55.36 51.73 1s3o s GLN 25 Cb 0.11 -0.48 -0.07 0.00 -1.09 0.00 0.00 33.01 31.48 1s3o s GLN 25 CO 0.82 0.03 1.02 -0.51 -1.32 0.00 0.00 175.29 175.33 1s3o s ASP 26 N -3.14 7.42 0.72 12.60 1.01 -1.26 -4.07 116.67 129.95 1s3o s ASP 26 Ca 0.16 1.96 -0.16 0.00 0.71 0.00 0.00 52.55 55.21 1s3o s ASP 26 Cb 0.04 -2.60 -0.06 0.00 1.01 0.00 0.00 42.92 41.31 1s3o s ASP 26 CO -0.01 -0.09 0.39 -0.81 0.21 0.00 0.00 175.17 174.86 1s3o n PRO 27 N 2.35 0.25 -4.74 8.23 -0.04 -1.26 -4.93 135.00 134.86 1s3o n PRO 27 Ca 0.02 0.12 -0.25 0.00 -0.04 0.00 0.00 63.50 63.35 1s3o n PRO 27 Cb 0.47 -1.70 -0.16 0.00 -0.04 0.00 0.00 33.50 32.08 1s3o n PRO 27 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1s3o s VAL 28 N -1.93 1.28 -0.23 0.52 1.01 0.08 -4.99 120.40 116.14 1s3o s VAL 28 Ca 0.63 -0.65 -0.15 0.00 0.00 0.00 0.00 61.98 61.81 1s3o s VAL 28 Cb -0.35 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 1s3o s VAL 28 CO 0.60 0.37 0.36 -0.76 0.00 0.00 0.00 175.10 175.67 1s3o s LEU 29 N -0.05 4.10 0.00 3.92 1.43 -1.26 -0.75 118.68 126.07 1s3o s LEU 29 Ca -0.01 0.37 0.03 0.00 -1.03 0.00 0.00 54.13 53.49 1s3o s LEU 29 Cb -0.10 -2.43 -0.01 0.00 0.03 0.00 0.00 46.19 43.68 1s3o s LEU 29 CO 0.01 -0.11 0.10 -1.14 0.23 0.00 0.00 176.35 175.45 1s3o n ARG 30 N 4.82 0.67 -3.72 1.70 3.00 0.11 -4.99 116.66 118.26 1s3o n ARG 30 Ca -0.09 -2.19 -0.26 0.00 -0.00 0.00 0.00 57.85 55.32 1s3o n ARG 30 Cb 0.51 1.24 -0.17 0.00 0.00 0.00 0.00 32.46 34.04 1s3o n ARG 30 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 1s3o s GLN 31 N -2.98 0.47 0.05 -0.14 2.00 -1.26 -2.02 119.66 115.78 1s3o s GLN 31 Ca 0.14 -0.15 -0.22 0.00 -2.00 0.00 0.00 55.36 53.13 1s3o s GLN 31 Cb 0.01 -1.64 -0.06 0.00 0.80 0.00 0.00 33.01 32.12 1s3o s GLN 31 CO 0.10 -0.53 0.66 0.08 -0.50 0.00 0.00 175.29 175.10 1s3o s VAL 32 N 1.97 4.76 0.00 1.34 1.01 0.11 -4.86 120.40 124.73 1s3o s VAL 32 Ca 0.02 1.41 0.00 0.00 0.00 0.00 0.00 61.98 63.40 1s3o s VAL 32 Cb -0.15 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.22 1s3o s VAL 32 CO -0.07 0.44 0.00 -0.62 0.00 0.00 0.00 175.10 174.85 1s3o n GLU 33 N 2.41 0.00 0.01 2.72 1.02 -1.26 -0.88 120.64 124.65 1s3o n GLU 33 Ca -0.06 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 56.95 1s3o n GLU 33 Cb 0.50 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.79 1s3o n GLU 33 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1s3o h GLY 34 N 0.00 0.12 -0.79 0.62 0.00 -2.05 -3.43 103.07 97.54 1s3o h GLY 34 Ca 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 1s3o h GLY 34 CO 0.00 0.26 -0.35 0.28 0.00 0.00 0.00 176.54 176.73 1s3o n LYS 35 N -3.24 0.66 -3.78 4.80 4.76 -1.22 -5.00 118.16 115.14 1s3o n LYS 35 Ca -0.19 -1.94 -0.35 0.00 -2.87 0.00 0.00 58.31 52.96 1s3o n LYS 35 Cb 1.04 -0.96 -0.11 0.00 -1.84 0.00 0.00 35.03 33.17 1s3o n LYS 35 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1s3o s ASN 36 N -2.05 5.03 0.35 4.39 -0.87 -0.06 -4.97 114.94 116.75 1s3o s ASN 36 Ca 0.20 -2.86 -0.27 0.00 -1.57 0.00 0.00 52.86 48.36 1s3o s ASN 36 Cb 0.18 -1.80 -0.09 0.00 -0.02 0.00 0.00 41.25 39.52 1s3o s ASN 36 CO -0.01 -0.34 1.22 -2.84 -2.57 0.00 0.00 177.10 172.55 1s3o s PRO 37 N -0.07 4.27 -0.06 -0.60 0.02 -1.26 0.09 135.00 137.40 1s3o s PRO 37 Ca 0.17 2.00 -0.12 0.00 0.02 0.00 0.00 61.00 63.06 1s3o s PRO 37 Cb -0.21 -2.93 0.02 0.00 0.02 0.00 0.00 34.50 31.40 1s3o s PRO 37 CO -0.03 -0.18 0.29 0.14 -0.33 0.00 0.00 177.00 176.89 1s3o s VAL 38 N -1.25 0.04 -0.08 3.83 -7.23 -0.86 -4.66 120.40 110.19 1s3o s VAL 38 Ca 0.52 -0.29 0.03 0.00 -1.81 0.00 0.00 61.98 60.43 1s3o s VAL 38 Cb -0.35 -0.52 -0.02 0.00 0.56 0.00 0.00 36.38 36.06 1s3o s VAL 38 CO 0.45 -0.16 -0.18 0.42 -0.31 0.00 0.00 175.10 175.32 1s3o s THR 39 N -0.68 2.69 -0.07 5.32 -4.23 -1.08 0.10 115.64 117.68 1s3o s THR 39 Ca -0.08 -0.83 0.03 0.00 -1.18 0.00 0.00 61.69 59.63 1s3o s THR 39 Cb -0.04 -2.05 -0.02 0.00 1.34 0.00 0.00 72.50 71.72 1s3o s THR 39 CO 0.02 0.56 -0.15 -0.63 -0.54 0.00 0.00 174.62 173.89 1s3o s ILE 40 N -0.21 2.96 0.33 2.99 1.01 0.07 -1.38 121.20 126.98 1s3o s ILE 40 Ca -0.01 -0.74 0.02 0.00 0.00 0.00 0.00 60.65 59.92 1s3o s ILE 40 Cb -0.13 -2.18 -0.01 0.00 0.01 0.00 0.00 42.46 40.14 1s3o s ILE 40 CO 0.03 0.57 0.38 0.72 0.00 0.00 0.00 174.94 176.64 1s3o s PHE 41 N -0.35 1.36 0.00 3.97 -0.71 -0.69 -0.74 117.98 120.82 1s3o s PHE 41 Ca 0.03 -1.46 0.07 0.00 -1.04 0.00 0.00 56.93 54.54 1s3o s PHE 41 Cb -0.12 -0.37 -0.03 0.00 -1.21 0.00 0.00 43.02 41.29 1s3o s PHE 41 CO 0.02 -1.01 -0.22 0.45 -1.34 0.00 0.00 175.22 173.13 1s3o s SER 42 N -3.29 3.46 -0.03 1.98 0.15 -1.26 -0.96 113.70 113.75 1s3o s SER 42 Ca 0.35 -0.43 0.01 0.00 0.70 0.00 0.00 55.95 56.58 1s3o s SER 42 Cb 0.01 -0.50 0.01 0.00 -1.71 0.00 0.00 66.02 63.84 1s3o s SER 42 CO 0.23 0.30 -0.05 -0.22 1.20 0.00 0.00 173.24 174.70 1s3o s LEU 43 N -0.98 1.56 -0.12 3.45 2.96 0.43 -1.19 118.68 124.79 1s3o s LEU 43 Ca 0.12 -0.11 -0.12 0.00 -0.22 0.00 0.00 54.13 53.80 1s3o s LEU 43 Cb -0.10 -0.38 -0.05 0.00 0.50 0.00 0.00 46.19 46.16 1s3o s LEU 43 CO 0.02 -0.01 0.27 0.00 -1.32 0.00 0.00 176.35 175.30 1s3o s ALA 44 N 0.53 3.69 0.15 5.97 0.00 -0.74 0.86 121.76 132.22 1s3o s ALA 44 Ca -0.07 -0.46 0.09 0.00 0.00 0.00 0.00 51.96 51.52 1s3o s ALA 44 Cb -0.10 -2.28 -0.04 0.00 0.00 0.00 0.00 23.12 20.70 1s3o s ALA 44 CO -0.00 0.30 -0.17 0.99 0.00 0.00 0.00 175.76 176.88 1s3o s THR 45 N -0.20 2.84 -0.11 0.00 2.01 0.46 -3.08 115.64 117.57 1s3o s THR 45 Ca 0.17 -1.64 0.03 0.00 0.31 0.00 0.00 61.69 60.56 1s3o s THR 45 Cb -0.13 -2.34 0.01 0.00 0.01 0.00 0.00 72.50 70.04 1s3o s THR 45 CO 0.05 0.01 -0.19 0.20 -0.69 0.00 0.00 174.62 174.00 1s3o s ASN 46 N -2.41 2.78 -0.67 3.53 0.02 -1.26 -1.04 114.94 115.89 1s3o s ASN 46 Ca 0.20 -0.51 -0.18 0.00 -1.02 0.00 0.00 52.86 51.34 1s3o s ASN 46 Cb -0.10 -1.27 0.12 0.00 0.02 0.00 0.00 41.25 40.02 1s3o s ASN 46 CO 0.11 0.07 0.78 -0.70 0.02 0.00 0.00 177.10 177.39 1s3o s GLU 47 N 0.75 3.19 0.00 -0.60 -6.30 -1.22 -4.95 118.70 109.56 1s3o s GLU 47 Ca -0.10 -1.50 0.00 0.00 -2.50 0.00 0.00 54.97 50.87 1s3o s GLU 47 Cb -0.16 -4.37 0.00 0.00 0.00 0.00 0.00 34.13 29.60 1s3o s GLU 47 CO 0.01 -1.56 0.55 -1.33 0.02 0.00 0.00 175.26 172.95 1s3o n MET 48 N 6.14 0.73 -2.80 4.30 2.81 -1.26 -2.83 117.12 124.21 1s3o n MET 48 Ca -0.02 0.00 -0.40 0.00 -1.81 0.00 0.00 57.70 55.47 1s3o n MET 48 Cb 0.44 -1.25 -0.05 0.00 -0.71 0.00 0.00 33.22 31.64 1s3o n MET 48 CO 0.00 0.00 0.00 1.67 1.51 0.00 0.00 175.97 179.15 1s3o s TRP 49 N -0.38 3.88 1.12 2.03 1.48 -1.26 -5.05 118.94 120.76 1s3o s TRP 49 Ca 0.00 1.78 -0.19 0.00 -1.06 0.00 0.00 56.10 56.64 1s3o s TRP 49 Cb 0.00 -2.96 0.11 0.00 -1.16 0.00 0.00 33.47 29.46 1s3o s TRP 49 CO 0.00 0.36 -0.00 -2.13 -4.06 0.00 0.00 176.95 171.11 1s3o n ARG 50 N 2.13 -1.74 -0.02 3.25 3.00 -1.26 -5.00 116.66 117.01 1s3o n ARG 50 Ca -0.01 -0.50 0.00 0.00 -0.00 0.00 0.00 57.85 57.34 1s3o n ARG 50 Cb 0.48 -1.65 0.00 0.00 0.00 0.00 0.00 32.46 31.29 1s3o n ARG 50 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1s3o n SER 51 N -1.56 0.00 0.00 6.15 3.41 -1.26 -5.29 113.62 115.07 1s3o n SER 51 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1s3o n SER 51 Cb 0.60 -1.06 0.00 0.00 -0.26 0.00 0.00 64.21 63.49 1s3o n SER 51 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1s3o n LYS 65 N -1.33 0.00 -2.36 4.33 5.02 -1.13 -5.30 118.16 117.40 1s3o n LYS 65 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 1s3o n LYS 65 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 1s3o n LYS 65 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1s3o s THR 66 N 0.00 3.85 -0.14 -0.18 2.01 -1.26 -3.44 115.64 116.47 1s3o s THR 66 Ca 0.00 1.34 -0.04 0.00 0.31 0.00 0.00 61.69 63.29 1s3o s THR 66 Cb 0.00 -3.86 -0.03 0.00 0.01 0.00 0.00 72.50 68.62 1s3o s THR 66 CO 0.00 0.11 0.01 -0.89 -0.69 0.00 0.00 174.62 173.16 1s3o s THR 67 N 1.01 4.33 -0.25 -0.82 2.01 -0.21 -4.94 115.64 116.77 1s3o s THR 67 Ca 0.60 -0.21 -0.05 0.00 0.31 0.00 0.00 61.69 62.33 1s3o s THR 67 Cb -0.31 -2.89 -0.00 0.00 0.01 0.00 0.00 72.50 69.31 1s3o s THR 67 CO 0.30 0.52 0.01 0.26 -0.69 0.00 0.00 174.62 175.02 1s3o s TRP 68 N -0.06 3.05 -0.06 4.92 0.52 -1.26 -0.40 118.94 125.65 1s3o s TRP 68 Ca 0.04 -0.97 -0.02 0.00 0.02 0.00 0.00 56.10 55.17 1s3o s TRP 68 Cb -0.13 -2.17 -0.04 0.00 -1.15 0.00 0.00 33.47 29.99 1s3o s TRP 68 CO 0.02 -0.56 0.03 -1.01 0.02 0.00 0.00 176.95 175.45 1s3o s HIS 69 N 1.48 3.21 -0.20 -1.98 3.76 0.25 -4.92 115.29 116.89 1s3o s HIS 69 Ca 0.04 0.21 -0.09 0.00 -0.15 0.00 0.00 55.06 55.07 1s3o s HIS 69 Cb -0.16 -1.78 -0.05 0.00 1.11 0.00 0.00 32.58 31.71 1s3o s HIS 69 CO -0.01 0.51 0.10 0.50 -0.85 0.00 0.00 174.74 174.99 1s3o s ARG 70 N -1.14 4.07 -0.09 1.40 3.52 -1.26 -0.43 118.95 125.01 1s3o s ARG 70 Ca 0.16 -0.29 0.03 0.00 -0.13 0.00 0.00 55.73 55.51 1s3o s ARG 70 Cb -0.12 -3.33 -0.01 0.00 -1.56 0.00 0.00 34.95 29.93 1s3o s ARG 70 CO 0.06 0.25 -0.21 0.42 -0.81 0.00 0.00 175.30 175.01 1s3o s ILE 71 N 0.46 2.38 -0.12 4.11 1.01 -0.14 -0.80 121.20 128.11 1s3o s ILE 71 Ca 0.06 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 59.80 1s3o s ILE 71 Cb -0.12 -1.93 -0.01 0.00 0.01 0.00 0.00 42.46 40.42 1s3o s ILE 71 CO -0.00 0.56 -0.18 -0.44 0.00 0.00 0.00 174.94 174.87 1s3o s SER 72 N 0.16 3.57 -0.33 3.58 0.01 -0.81 -1.70 113.70 118.17 1s3o s SER 72 Ca -0.11 -0.44 0.01 0.00 1.31 0.00 0.00 55.95 56.71 1s3o s SER 72 Cb -0.16 -1.52 0.08 0.00 0.21 0.00 0.00 66.02 64.64 1s3o s SER 72 CO 0.06 0.16 0.03 -0.69 0.41 0.00 0.00 173.24 173.21 1s3o s VAL 73 N 0.38 2.62 -0.14 3.43 1.01 -0.48 -1.01 120.40 126.21 1s3o s VAL 73 Ca -0.14 -1.90 0.18 0.00 0.00 0.00 0.00 61.98 60.12 1s3o s VAL 73 Cb -0.17 -2.71 -0.12 0.00 0.00 0.00 0.00 36.38 33.38 1s3o s VAL 73 CO 0.07 -0.37 0.85 0.49 0.00 0.00 0.00 175.10 176.14 1s3o n PHE 74 N 4.45 0.97 -1.69 5.22 3.01 -1.26 -2.63 117.46 125.52 1s3o n PHE 74 Ca -0.06 0.32 -0.43 0.00 1.01 0.00 0.00 57.45 58.29 1s3o n PHE 74 Cb 0.42 -1.06 -0.03 0.00 -0.01 0.00 0.00 39.48 38.79 1s3o n PHE 74 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1s3o n ARG 75 N -2.85 2.62 0.14 -1.08 0.63 -1.26 -4.82 116.66 110.04 1s3o n ARG 75 Ca -0.08 0.95 0.09 0.00 -0.92 0.00 0.00 57.85 57.89 1s3o n ARG 75 Cb 0.79 -2.80 0.49 0.00 0.45 0.00 0.00 32.46 31.39 1s3o n ARG 75 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1s3o n PRO 76 N 4.75 0.12 0.00 -0.14 -0.02 -1.26 -1.55 135.00 136.90 1s3o n PRO 76 Ca 0.17 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1s3o n PRO 76 Cb 0.34 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 1s3o n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s3o n GLY 77 N -1.33 0.00 0.29 -1.23 0.00 -1.26 -4.70 105.19 96.96 1s3o n GLY 77 Ca -0.01 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.15 1s3o n GLY 77 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1s3o h LEU 78 N 0.00 0.00 -0.09 0.99 6.46 -1.89 -2.37 115.31 118.41 1s3o h LEU 78 Ca 0.00 0.00 -0.24 0.00 -0.12 0.00 0.00 57.88 57.52 1s3o h LEU 78 Cb 0.96 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.89 1s3o h LEU 78 CO 0.00 0.03 -1.03 0.08 -0.62 0.00 0.00 178.44 176.90 1s3o h ARG 79 N 0.00 0.38 0.14 1.25 0.11 -1.54 -2.42 114.38 112.31 1s3o h ARG 79 Ca -0.00 -0.46 -0.01 0.00 0.10 0.00 0.00 59.98 59.61 1s3o h ARG 79 Cb 0.07 0.14 0.00 0.00 1.11 0.00 0.00 29.97 31.29 1s3o h ARG 79 CO 0.00 1.14 -0.07 -0.44 0.10 0.00 0.00 179.97 180.71 1s3o h ASP 80 N 0.19 -0.16 -0.20 0.08 5.19 -1.72 -1.93 116.42 117.87 1s3o h ASP 80 Ca -0.10 -0.30 0.05 0.00 -0.62 0.00 0.00 57.03 56.07 1s3o h ASP 80 Cb 1.68 0.04 -0.06 0.00 0.18 0.00 0.00 39.33 41.18 1s3o h ASP 80 CO 0.18 0.24 -0.15 0.58 -3.12 0.00 0.00 179.24 176.96 1s3o h VAL 81 N -0.58 0.57 0.00 -1.35 2.07 -1.49 0.61 116.25 116.08 1s3o h VAL 81 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1s3o h VAL 81 Cb 0.45 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1s3o h VAL 81 CO 0.03 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.62 1s3o h ALA 82 N 0.97 1.00 0.27 1.67 0.00 -1.50 -0.80 119.26 120.88 1s3o h ALA 82 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1s3o h ALA 82 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1s3o h ALA 82 CO -0.30 0.00 -0.13 -0.92 0.00 0.00 0.00 179.25 177.90 1s3o h TYR 83 N 0.00 -0.34 0.00 0.00 3.20 -0.05 -1.55 116.97 118.23 1s3o h TYR 83 Ca 0.00 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 1s3o h TYR 83 Cb 0.21 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 1s3o h TYR 83 CO 0.00 0.00 -0.33 -0.56 -1.64 0.00 0.00 178.16 175.64 1s3o h GLN 84 N -0.74 0.00 0.00 1.82 -0.00 -1.16 -3.35 115.11 111.68 1s3o h GLN 84 Ca -0.04 0.00 -0.28 0.00 -0.00 0.00 0.00 58.65 58.33 1s3o h GLN 84 Cb 0.49 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 27.92 1s3o h GLN 84 CO 0.06 0.33 -2.29 0.66 -0.00 0.00 0.00 178.83 177.59 1s3o n TYR 85 N -3.29 0.00 -2.55 0.06 4.01 -0.35 -4.91 117.16 110.13 1s3o n TYR 85 Ca 0.01 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.34 1s3o n TYR 85 Cb 0.58 -0.88 -0.04 0.00 -0.31 0.00 0.00 39.34 38.69 1s3o n TYR 85 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1s3o s VAL 86 N -2.71 4.01 -0.19 -0.72 1.01 -0.58 -5.01 120.40 116.20 1s3o s VAL 86 Ca -0.09 1.70 -0.12 0.00 0.00 0.00 0.00 61.98 63.46 1s3o s VAL 86 Cb 0.08 -4.08 0.06 0.00 0.00 0.00 0.00 36.38 32.43 1s3o s VAL 86 CO 0.84 0.28 0.47 -0.75 0.00 0.00 0.00 175.10 175.93 1s3o s LYS 87 N -0.20 0.48 0.12 2.72 2.20 -1.26 -4.43 119.74 119.37 1s3o s LYS 87 Ca 0.49 0.83 -0.34 0.00 -0.36 0.00 0.00 55.97 56.59 1s3o s LYS 87 Cb -0.28 0.07 -0.17 0.00 -1.51 0.00 0.00 37.83 35.94 1s3o s LYS 87 CO 0.33 -0.13 1.02 1.17 -0.36 0.00 0.00 175.35 177.38 1s3o n LYS 88 N 3.92 0.57 0.00 4.03 4.81 -1.26 -1.01 118.16 129.22 1s3o n LYS 88 Ca -0.20 0.21 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1s3o n LYS 88 Cb 0.56 -1.62 0.00 0.00 0.02 0.00 0.00 35.03 33.99 1s3o n LYS 88 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1s3o n GLY 89 N 1.89 2.18 3.77 3.14 0.00 0.12 -4.98 105.19 111.30 1s3o n GLY 89 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1s3o n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1s3o s SER 90 N -2.77 6.47 -0.05 1.61 0.01 -0.18 -4.72 113.70 114.07 1s3o s SER 90 Ca 0.00 2.84 -0.18 0.00 1.31 0.00 0.00 55.95 59.92 1s3o s SER 90 Cb 0.00 -2.66 -0.05 0.00 0.21 0.00 0.00 66.02 63.52 1s3o s SER 90 CO 0.00 -0.76 0.50 -0.60 0.41 0.00 0.00 173.24 172.80 1s3o s ARG 91 N -2.02 4.24 0.02 12.44 3.52 -1.26 -0.94 118.95 134.94 1s3o s ARG 91 Ca 0.52 0.54 0.02 0.00 -0.13 0.00 0.00 55.73 56.68 1s3o s ARG 91 Cb -0.42 -3.35 -0.01 0.00 -1.56 0.00 0.00 34.95 29.60 1s3o s ARG 91 CO 0.56 0.36 -0.05 0.42 -0.81 0.00 0.00 175.30 175.78 1s3o s ILE 92 N -0.08 0.39 -0.07 4.11 1.09 0.13 -2.84 121.20 123.92 1s3o s ILE 92 Ca 0.27 -0.59 0.03 0.00 -1.10 0.00 0.00 60.65 59.26 1s3o s ILE 92 Cb -0.17 -0.40 -0.02 0.00 -1.06 0.00 0.00 42.46 40.81 1s3o s ILE 92 CO 0.13 -0.14 -0.14 -0.47 -0.10 0.00 0.00 174.94 174.22 1s3o s TYR 93 N -0.71 2.72 -0.12 3.97 5.04 -0.81 -1.81 117.35 125.63 1s3o s TYR 93 Ca -0.04 -0.31 -0.13 0.00 -2.44 0.00 0.00 57.07 54.15 1s3o s TYR 93 Cb -0.06 -1.69 0.03 0.00 0.35 0.00 0.00 41.96 40.60 1s3o s TYR 93 CO -0.00 0.07 0.35 -1.17 -1.34 0.00 0.00 175.55 173.45 1s3o s LEU 94 N -0.42 0.68 0.14 6.97 0.20 0.45 0.04 118.68 126.73 1s3o s LEU 94 Ca 0.05 0.63 0.10 0.00 0.69 0.00 0.00 54.13 55.60 1s3o s LEU 94 Cb -0.12 1.22 -0.04 0.00 -0.43 0.00 0.00 46.19 46.82 1s3o s LEU 94 CO 0.02 -0.16 -0.25 -1.61 -0.29 0.00 0.00 176.35 174.06 1s3o s GLU 95 N -0.00 1.36 0.00 1.98 2.02 0.04 -0.59 118.70 123.50 1s3o s GLU 95 Ca -0.02 -1.35 0.00 0.00 0.02 0.00 0.00 54.97 53.62 1s3o s GLU 95 Cb -0.03 -1.76 0.00 0.00 0.10 0.00 0.00 34.13 32.45 1s3o s GLU 95 CO 0.01 0.40 0.00 0.41 0.02 0.00 0.00 175.26 176.10 1s3o n GLY 96 N 0.79 -1.04 3.73 -1.39 0.00 -0.64 -1.24 105.19 105.40 1s3o n GLY 96 Ca -0.17 -0.77 -0.32 0.00 0.00 0.00 0.00 46.02 44.75 1s3o n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s3o s LYS 97 N -0.16 2.89 -0.05 1.61 3.01 -0.96 -0.09 119.74 125.99 1s3o s LYS 97 Ca 0.00 -0.58 -0.18 0.00 -1.01 0.00 0.00 55.97 54.20 1s3o s LYS 97 Cb 0.00 -2.74 -0.05 0.00 -1.01 0.00 0.00 37.83 34.03 1s3o s LYS 97 CO 0.00 0.62 0.49 0.42 0.51 0.00 0.00 175.35 177.39 1s3o s ILE 98 N -1.17 5.06 -0.08 2.17 1.01 -1.26 0.80 121.20 127.72 1s3o s ILE 98 Ca 0.22 1.01 -0.00 0.00 0.00 0.00 0.00 60.65 61.87 1s3o s ILE 98 Cb -0.12 -3.82 0.02 0.00 0.01 0.00 0.00 42.46 38.56 1s3o s ILE 98 CO 0.13 0.42 -0.04 -0.62 0.00 0.00 0.00 174.94 174.84 1s3o s ASP 99 N -0.09 1.72 0.00 3.58 2.15 -0.84 -4.96 116.67 118.23 1s3o s ASP 99 Ca 0.27 -0.18 0.30 0.00 0.43 0.00 0.00 52.55 53.36 1s3o s ASP 99 Cb -0.16 -0.61 1.46 0.00 -0.30 0.00 0.00 42.92 43.30 1s3o s ASP 99 CO 0.13 -0.13 2.00 -1.22 -0.17 0.00 0.00 175.17 175.78 1s3o n TYR 100 N 4.84 0.00 -4.05 -5.34 4.01 -1.26 -1.68 117.16 113.68 1s3o n TYR 100 Ca -0.12 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.29 1s3o n TYR 100 Cb 0.50 -0.21 -0.03 0.00 -0.31 0.00 0.00 39.34 39.29 1s3o n TYR 100 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1s3o n GLY 101 N 1.25 -0.43 3.70 2.72 0.00 -1.04 -1.14 105.19 110.24 1s3o n GLY 101 Ca 0.15 0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.99 1s3o n GLY 101 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1s3o s GLU 102 N -6.91 4.44 0.08 1.61 2.02 -1.26 -0.97 118.70 117.70 1s3o s GLU 102 Ca 0.18 1.49 -0.02 0.00 0.02 0.00 0.00 54.97 56.63 1s3o s GLU 102 Cb -0.08 -3.51 -0.03 0.00 0.10 0.00 0.00 34.13 30.61 1s3o s GLU 102 CO 0.94 -0.27 0.03 1.52 0.02 0.00 0.00 175.26 177.50 1s3o s TYR 103 N 1.71 0.53 -0.03 1.61 1.13 -0.81 -4.98 117.35 116.51 1s3o s TYR 103 Ca 0.52 -1.02 -0.22 0.00 -1.41 0.00 0.00 57.07 54.93 1s3o s TYR 103 Cb -0.21 -0.35 -0.05 0.00 -1.10 0.00 0.00 41.96 40.25 1s3o s TYR 103 CO 0.22 -0.44 0.65 -1.64 -2.51 0.00 0.00 175.55 171.83 1s3o s MET 104 N -3.94 4.40 0.00 -3.49 -1.94 -1.26 -0.53 119.30 112.54 1s3o s MET 104 Ca 0.10 0.82 0.00 0.00 -1.71 0.00 0.00 55.69 54.90 1s3o s MET 104 Cb 0.07 -3.40 0.00 0.00 2.01 0.00 0.00 34.83 33.51 1s3o s MET 104 CO -0.07 0.21 0.36 -0.40 -0.01 0.00 0.00 175.02 175.10 1s3o n ASP 105 N 3.27 0.00 -3.12 3.03 5.75 0.05 -3.89 116.55 121.64 1s3o n ASP 105 Ca -0.04 0.42 -0.36 0.00 -0.01 0.00 0.00 54.79 54.80 1s3o n ASP 105 Cb 0.51 -0.14 0.01 0.00 -1.03 0.00 0.00 41.12 40.47 1s3o n ASP 105 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1s3o n LYS 106 N -0.92 3.93 0.00 0.11 4.76 -1.26 -4.83 118.16 119.95 1s3o n LYS 106 Ca 0.00 -4.34 0.00 0.00 -2.87 0.00 0.00 58.31 51.10 1s3o n LYS 106 Cb 0.00 -2.33 0.00 0.00 -1.84 0.00 0.00 35.03 30.86 1s3o n LYS 106 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1s3o n ASN 107 N -0.30 0.00 0.00 4.39 5.15 -1.25 -4.79 115.26 118.45 1s3o n ASN 107 Ca 0.45 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.43 1s3o n ASN 107 Cb 0.34 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.59 1s3o n ASN 107 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 1s3o n ASN 108 N 0.50 0.00 -4.73 1.20 6.94 -1.26 -4.72 115.26 113.19 1s3o n ASN 108 Ca 0.00 0.18 -0.42 0.00 -0.02 0.00 0.00 54.58 54.32 1s3o n ASN 108 Cb 0.00 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.39 1s3o n ASN 108 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1s3o s VAL 109 N -0.36 2.97 -0.19 3.53 1.01 -1.26 -4.71 120.40 121.39 1s3o s VAL 109 Ca 0.00 0.75 -0.29 0.00 0.00 0.00 0.00 61.98 62.44 1s3o s VAL 109 Cb 0.00 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.89 1s3o s VAL 109 CO 0.00 0.09 1.26 -0.60 0.00 0.00 0.00 175.10 175.85 1s3o s ARG 110 N 0.38 4.19 0.45 2.72 3.52 -1.26 -0.77 118.95 128.18 1s3o s ARG 110 Ca 0.62 1.60 0.06 0.00 -0.13 0.00 0.00 55.73 57.87 1s3o s ARG 110 Cb -0.39 -3.78 -0.04 0.00 -1.56 0.00 0.00 34.95 29.18 1s3o s ARG 110 CO 0.36 -0.76 0.11 1.03 -0.81 0.00 0.00 175.30 175.23 1s3o s ARG 111 N 3.59 2.14 -0.00 5.12 1.81 0.31 -4.94 118.95 126.98 1s3o s ARG 111 Ca 0.55 -2.07 0.02 0.00 -1.72 0.00 0.00 55.73 52.51 1s3o s ARG 111 Cb -0.21 -1.79 -0.00 0.00 -0.45 0.00 0.00 34.95 32.50 1s3o s ARG 111 CO 0.15 -0.21 -0.06 1.14 -0.68 0.00 0.00 175.30 175.65 1s3o s GLN 112 N -3.88 0.49 -0.43 3.54 -2.07 -1.26 -1.92 119.66 114.12 1s3o s GLN 112 Ca 0.30 -0.22 0.04 0.00 -1.82 0.00 0.00 55.36 53.66 1s3o s GLN 112 Cb 0.05 -0.47 0.12 0.00 -1.09 0.00 0.00 33.01 31.62 1s3o s GLN 112 CO 0.17 0.13 0.17 0.00 -1.32 0.00 0.00 175.29 174.43 1s3o s ALA 113 N -0.16 2.95 -0.15 2.60 0.00 -0.14 -4.90 121.76 121.96 1s3o s ALA 113 Ca 0.02 -2.85 -0.14 0.00 0.00 0.00 0.00 51.96 48.98 1s3o s ALA 113 Cb -0.02 -2.03 -0.05 0.00 0.00 0.00 0.00 23.12 21.02 1s3o s ALA 113 CO -0.00 -1.88 0.32 -0.08 0.00 0.00 0.00 175.76 174.12 1s3o s THR 114 N 0.31 5.28 0.16 0.00 -1.32 -1.13 -2.51 115.64 116.43 1s3o s THR 114 Ca 0.14 0.61 0.08 0.00 -1.21 0.00 0.00 61.69 61.32 1s3o s THR 114 Cb -0.23 -3.66 -0.04 0.00 -1.51 0.00 0.00 72.50 67.06 1s3o s THR 114 CO -0.04 0.39 -0.18 0.28 -2.21 0.00 0.00 174.62 172.86 1s3o s THR 115 N 0.39 1.78 -0.30 5.08 -1.32 -0.68 -4.47 115.64 116.12 1s3o s THR 115 Ca 0.18 -1.87 -0.13 0.00 -1.21 0.00 0.00 61.69 58.66 1s3o s THR 115 Cb -0.13 -1.80 -0.03 0.00 -1.51 0.00 0.00 72.50 69.02 1s3o s THR 115 CO 0.05 -0.29 0.27 -0.63 -2.21 0.00 0.00 174.62 171.80 1s3o s ILE 116 N -1.96 5.25 -0.54 5.08 1.09 0.02 -2.00 121.20 128.15 1s3o s ILE 116 Ca 0.14 0.14 -0.22 0.00 -1.10 0.00 0.00 60.65 59.61 1s3o s ILE 116 Cb -0.06 -3.65 0.05 0.00 -1.06 0.00 0.00 42.46 37.73 1s3o s ILE 116 CO 0.06 0.12 0.84 -0.63 -0.10 0.00 0.00 174.94 175.23 1s3o s ILE 117 N 1.86 4.54 0.15 2.92 1.01 0.24 -1.92 121.20 129.99 1s3o s ILE 117 Ca 0.09 0.02 -0.30 0.00 0.00 0.00 0.00 60.65 60.46 1s3o s ILE 117 Cb -0.16 -4.47 -0.07 0.00 0.01 0.00 0.00 42.46 37.77 1s3o s ILE 117 CO 0.11 -1.02 1.01 0.00 0.00 0.00 0.00 174.94 175.04 1s3o s ALA 118 N 3.53 3.30 -0.19 9.38 0.00 -0.18 -2.26 121.76 135.35 1s3o s ALA 118 Ca 0.25 0.67 0.10 0.00 0.00 0.00 0.00 51.96 52.99 1s3o s ALA 118 Cb -0.15 -3.30 -0.19 0.00 0.00 0.00 0.00 23.12 19.48 1s3o s ALA 118 CO 0.17 -0.07 -0.04 -0.25 0.00 0.00 0.00 175.76 175.57 1s3o n ASP 119 N 2.47 1.24 -3.70 0.00 8.00 -0.37 -4.58 116.55 119.60 1s3o n ASP 119 Ca 0.02 -0.05 -0.17 0.00 0.71 0.00 0.00 54.79 55.31 1s3o n ASP 119 Cb 0.48 0.45 -0.16 0.00 -0.02 0.00 0.00 41.12 41.86 1s3o n ASP 119 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1s3o s ASN 120 N -5.56 0.57 -0.18 -2.24 2.47 -1.03 -5.00 114.94 103.96 1s3o s ASN 120 Ca -0.17 0.20 0.00 0.00 0.42 0.00 0.00 52.86 53.31 1s3o s ASN 120 Cb 0.06 0.08 0.04 0.00 -1.45 0.00 0.00 41.25 39.98 1s3o s ASN 120 CO 0.65 -0.21 -0.07 -0.63 -3.72 0.00 0.00 177.10 173.12 1s3o s ILE 121 N 1.82 1.35 -0.35 -5.21 1.01 -1.26 -0.78 121.20 117.77 1s3o s ILE 121 Ca -0.01 -0.81 -0.13 0.00 0.00 0.00 0.00 60.65 59.70 1s3o s ILE 121 Cb -0.12 -1.49 -0.01 0.00 0.01 0.00 0.00 42.46 40.86 1s3o s ILE 121 CO -0.05 0.13 0.23 -0.63 0.00 0.00 0.00 174.94 174.63 1s3o s ILE 122 N 1.53 5.12 -0.32 2.92 1.01 0.11 -5.00 121.20 126.55 1s3o s ILE 122 Ca -0.00 -0.37 -0.29 0.00 0.00 0.00 0.00 60.65 59.98 1s3o s ILE 122 Cb -0.16 -3.68 0.01 0.00 0.01 0.00 0.00 42.46 38.64 1s3o s ILE 122 CO -0.08 -0.07 1.25 -0.36 0.00 0.00 0.00 174.94 175.68 1s3o s PHE 123 N 1.68 2.78 -0.13 3.97 0.40 -1.26 -1.92 117.98 123.50 1s3o s PHE 123 Ca 0.05 0.92 -0.12 0.00 -0.60 0.00 0.00 56.93 57.17 1s3o s PHE 123 Cb -0.18 -3.92 -0.10 0.00 0.51 0.00 0.00 43.02 39.33 1s3o s PHE 123 CO 0.09 -1.50 0.20 -0.07 0.70 0.00 0.00 175.22 174.65 1s3o h LEU 124 N 10.79 0.00 -9.58 -0.37 4.07 -1.90 -3.45 115.31 114.86 1s3o h LEU 124 Ca -0.25 -0.34 -0.53 0.00 0.08 0.00 0.00 57.88 56.84 1s3o h LEU 124 Cb 1.09 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.79 1s3o h LEU 124 CO 1.04 0.82 0.21 -0.94 -1.08 0.00 0.00 178.44 178.48 1s3o s SER 125 N -5.94 7.31 0.00 -0.43 1.04 -1.24 -5.03 113.70 109.42 1s3o s SER 125 Ca -0.12 1.56 0.00 0.00 0.48 0.00 0.00 55.95 57.88 1s3o s SER 125 Cb 0.00 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.62 1s3o s SER 125 CO 0.31 0.04 0.00 -0.67 0.98 0.00 0.00 173.24 173.90