#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s3o s GLU 11 N 0.00 3.93 0.25 1.96 -1.05 -1.26 -5.01 118.70 117.53 1s3o s GLU 11 Ca 0.00 0.58 -0.30 0.00 -0.15 0.00 0.00 54.97 55.10 1s3o s GLU 11 Cb 0.00 -2.44 -0.10 0.00 -0.44 0.00 0.00 34.13 31.14 1s3o s GLU 11 CO 0.00 0.13 1.51 1.03 0.95 0.00 0.00 175.26 178.88 1s3o s ARG 12 N -3.15 4.21 0.19 -4.83 0.52 -1.26 -5.03 118.95 109.60 1s3o s ARG 12 Ca 0.53 2.40 0.10 0.00 -0.52 0.00 0.00 55.73 58.24 1s3o s ARG 12 Cb -0.10 -3.09 -0.04 0.00 0.52 0.00 0.00 34.95 32.24 1s3o s ARG 12 CO 0.21 -0.52 -0.21 -1.12 0.02 0.00 0.00 175.30 173.68 1s3o s SER 13 N 0.51 3.12 0.12 0.23 0.01 -1.26 -5.15 113.70 111.28 1s3o s SER 13 Ca 0.62 -0.87 0.10 0.00 1.31 0.00 0.00 55.95 57.11 1s3o s SER 13 Cb -0.44 -0.22 -0.04 0.00 0.21 0.00 0.00 66.02 65.53 1s3o s SER 13 CO 0.43 0.05 -0.24 -0.76 0.41 0.00 0.00 173.24 173.13 1s3o s LEU 14 N -2.71 2.43 -0.42 2.44 1.43 -1.26 -5.07 118.68 115.52 1s3o s LEU 14 Ca 0.19 -0.67 0.07 0.00 -1.03 0.00 0.00 54.13 52.69 1s3o s LEU 14 Cb -0.07 -1.33 0.18 0.00 0.03 0.00 0.00 46.19 45.00 1s3o s LEU 14 CO 0.09 0.19 0.59 0.21 0.23 0.00 0.00 176.35 177.66 1s3o s ASN 15 N -2.00 -1.00 0.00 2.29 3.04 -1.26 -5.14 114.94 110.86 1s3o s ASN 15 Ca 0.15 -1.07 0.05 0.00 0.04 0.00 0.00 52.86 52.03 1s3o s ASN 15 Cb -0.10 1.67 -0.01 0.00 -1.54 0.00 0.00 41.25 41.27 1s3o s ASN 15 CO 0.07 -0.17 -0.14 -0.13 -3.04 0.00 0.00 177.10 173.68 1s3o s ARG 16 N 1.63 1.10 -0.05 0.43 1.81 -1.26 -4.21 118.95 118.40 1s3o s ARG 16 Ca 0.18 -0.58 0.02 0.00 -1.72 0.00 0.00 55.73 53.63 1s3o s ARG 16 Cb -0.05 -1.08 0.01 0.00 -0.45 0.00 0.00 34.95 33.38 1s3o s ARG 16 CO -0.06 0.29 -0.11 0.08 -0.68 0.00 0.00 175.30 174.82 1s3o s VAL 17 N -0.47 0.99 -0.18 3.52 1.01 0.54 -4.93 120.40 120.87 1s3o s VAL 17 Ca 0.05 -0.42 -0.03 0.00 0.00 0.00 0.00 61.98 61.58 1s3o s VAL 17 Cb -0.06 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.40 1s3o s VAL 17 CO -0.00 0.31 -0.07 -1.00 0.00 0.00 0.00 175.10 174.34 1s3o s HIS 18 N 0.53 2.92 0.02 5.22 3.76 -1.26 -2.05 115.29 124.43 1s3o s HIS 18 Ca -0.10 -0.72 0.01 0.00 -0.15 0.00 0.00 55.06 54.09 1s3o s HIS 18 Cb -0.14 -1.99 -0.01 0.00 1.11 0.00 0.00 32.58 31.55 1s3o s HIS 18 CO 0.02 -0.34 -0.05 -0.51 -0.85 0.00 0.00 174.74 173.01 1s3o s LEU 19 N 0.90 2.12 -0.03 0.89 1.02 -0.43 -5.02 118.68 118.13 1s3o s LEU 19 Ca -0.01 -0.29 -0.01 0.00 0.02 0.00 0.00 54.13 53.83 1s3o s LEU 19 Cb -0.15 -0.14 0.03 0.00 0.02 0.00 0.00 46.19 45.95 1s3o s LEU 19 CO 0.01 -0.09 0.06 -0.22 0.02 0.00 0.00 176.35 176.13 1s3o s LEU 20 N -0.79 0.86 0.00 1.79 1.98 -1.26 -1.28 118.68 119.98 1s3o s LEU 20 Ca -0.05 0.10 0.00 0.00 -2.89 0.00 0.00 54.13 51.29 1s3o s LEU 20 Cb -0.06 0.01 0.00 0.00 0.66 0.00 0.00 46.19 46.80 1s3o s LEU 20 CO -0.00 -0.15 0.00 0.61 -1.89 0.00 0.00 176.35 174.92 1s3o n GLY 21 N 4.36 -1.07 3.61 7.98 0.00 -0.60 -4.87 105.19 114.61 1s3o n GLY 21 Ca -0.24 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.10 3.94 0.30 1.61 0.52 -1.16 -0.62 118.95 123.43 1s3o s ARG 22 Ca 0.00 -0.36 -0.30 0.00 -0.52 0.00 0.00 55.73 54.55 1s3o s ARG 22 Cb 0.00 -3.22 -0.12 0.00 0.52 0.00 0.00 34.95 32.13 1s3o s ARG 22 CO 0.00 0.22 1.52 0.28 0.02 0.00 0.00 175.30 177.34 1s3o n VAL 23 N 3.68 1.20 0.83 3.52 0.31 0.00 -0.88 118.33 126.99 1s3o n VAL 23 Ca -0.16 -0.30 0.11 0.00 -0.01 0.00 0.00 64.34 63.98 1s3o n VAL 23 Cb 0.52 -1.83 0.09 0.00 -0.91 0.00 0.00 33.84 31.71 1s3o n VAL 23 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1s3o n GLY 24 N 1.85 -1.19 3.68 2.92 0.00 0.53 -2.47 105.19 110.51 1s3o n GLY 24 Ca 0.08 -0.42 -0.07 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.08 1.33 0.26 1.61 -2.07 -1.26 -4.90 119.66 111.54 1s3o s GLN 25 Ca 0.08 -0.66 -0.30 0.00 -1.82 0.00 0.00 55.36 52.66 1s3o s GLN 25 Cb 0.16 0.50 -0.10 0.00 -1.09 0.00 0.00 33.01 32.48 1s3o s GLN 25 CO 0.77 -0.60 1.35 -0.51 -1.32 0.00 0.00 175.29 174.98 1s3o s ASP 26 N -2.82 6.78 0.71 12.60 1.11 -1.26 -3.86 116.67 129.94 1s3o s ASP 26 Ca 0.08 2.58 -0.16 0.00 0.18 0.00 0.00 52.55 55.23 1s3o s ASP 26 Cb -0.03 -2.63 -0.03 0.00 1.07 0.00 0.00 42.92 41.30 1s3o s ASP 26 CO -0.01 -0.58 0.60 -0.81 1.18 0.00 0.00 175.17 175.55 1s3o n PRO 27 N 1.94 0.34 -4.05 8.23 -0.04 -1.26 -4.86 135.00 135.30 1s3o n PRO 27 Ca 0.04 0.16 -0.27 0.00 -0.04 0.00 0.00 63.50 63.39 1s3o n PRO 27 Cb 0.42 -1.89 -0.17 0.00 -0.04 0.00 0.00 33.50 31.82 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 -1.89 1.20 0.29 0.52 1.01 -0.31 -4.95 120.40 116.27 1s3o s VAL 28 Ca 0.67 -0.42 -0.28 0.00 0.00 0.00 0.00 61.98 61.95 1s3o s VAL 28 Cb -0.35 -1.17 -0.09 0.00 0.00 0.00 0.00 36.38 34.76 1s3o s VAL 28 CO 0.56 0.39 0.99 -0.76 0.00 0.00 0.00 175.10 176.29 1s3o s LEU 29 N 1.48 4.50 -0.29 3.92 1.43 -1.26 0.07 118.68 128.54 1s3o s LEU 29 Ca 0.02 2.01 0.02 0.00 -1.03 0.00 0.00 54.13 55.14 1s3o s LEU 29 Cb -0.13 -3.77 0.08 0.00 0.03 0.00 0.00 46.19 42.40 1s3o s LEU 29 CO -0.07 -0.03 0.01 -0.13 0.23 0.00 0.00 176.35 176.36 1s3o s ARG 30 N -1.59 1.39 -0.42 1.70 1.81 0.42 -4.93 118.95 117.33 1s3o s ARG 30 Ca 0.46 -1.31 0.02 0.00 -1.72 0.00 0.00 55.73 53.17 1s3o s ARG 30 Cb -0.25 -2.66 0.14 0.00 -0.45 0.00 0.00 34.95 31.73 1s3o s ARG 30 CO 0.32 -0.80 0.25 -1.14 -0.68 0.00 0.00 175.30 173.24 1s3o s GLN 31 N 1.28 1.06 -0.23 3.54 2.00 -1.26 -1.26 119.66 124.78 1s3o s GLN 31 Ca 0.03 -1.84 -0.16 0.00 -2.00 0.00 0.00 55.36 51.40 1s3o s GLN 31 Cb -0.19 -1.97 -0.11 0.00 0.80 0.00 0.00 33.01 31.54 1s3o s GLN 31 CO -0.11 -1.20 -0.22 1.33 -0.50 0.00 0.00 175.29 174.59 1s3o n VAL 32 N 3.60 1.51 0.00 1.34 0.24 -1.26 -4.87 118.33 118.90 1s3o n VAL 32 Ca 0.12 -0.14 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 1s3o n VAL 32 Cb 0.36 -2.06 0.00 0.00 -1.47 0.00 0.00 33.84 30.67 1s3o n VAL 32 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1s3o n GLU 33 N -4.37 0.00 0.00 7.34 2.13 -1.26 -4.99 120.64 119.49 1s3o n GLU 33 Ca -0.37 0.40 0.00 0.00 0.66 0.00 0.00 57.16 57.85 1s3o n GLU 33 Cb 0.71 -1.12 0.00 0.00 0.27 0.00 0.00 31.44 31.30 1s3o n GLU 33 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1s3o n GLY 34 N 0.78 0.00 0.00 8.31 0.00 -1.26 -5.15 105.19 107.87 1s3o n GLY 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1s3o n GLY 34 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1s3o n LYS 35 N 0.00 2.34 -3.56 1.61 2.85 -1.26 -5.13 118.16 115.01 1s3o n LYS 35 Ca 0.00 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 56.87 1s3o n LYS 35 Cb 0.00 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.27 1s3o n LYS 35 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1s3o s ASN 36 N 1.00 6.01 0.51 -5.58 2.20 -1.26 -5.09 114.94 112.74 1s3o s ASN 36 Ca 0.00 -0.27 -0.22 0.00 -0.94 0.00 0.00 52.86 51.43 1s3o s ASN 36 Cb 0.00 -2.12 -0.06 0.00 -2.00 0.00 0.00 41.25 37.07 1s3o s ASN 36 CO 0.00 -0.16 1.27 -2.84 -2.94 0.00 0.00 177.10 172.43 1s3o s PRO 37 N 1.73 3.38 -0.05 3.55 0.02 -1.26 -4.89 135.00 137.48 1s3o s PRO 37 Ca 0.06 2.01 0.03 0.00 0.02 0.00 0.00 61.00 63.12 1s3o s PRO 37 Cb -0.17 -2.29 0.01 0.00 0.02 0.00 0.00 34.50 32.07 1s3o s PRO 37 CO 0.10 -0.93 -0.13 0.08 -0.33 0.00 0.00 177.00 175.80 1s3o s VAL 38 N -1.43 1.12 -0.10 3.83 1.01 -0.39 -4.72 120.40 119.73 1s3o s VAL 38 Ca 0.69 -0.51 -0.20 0.00 0.00 0.00 0.00 61.98 61.95 1s3o s VAL 38 Cb -0.35 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 1s3o s VAL 38 CO 0.41 0.34 0.57 -0.89 0.00 0.00 0.00 175.10 175.53 1s3o s THR 39 N 0.33 5.13 -0.08 3.92 2.01 -1.11 0.16 115.64 126.00 1s3o s THR 39 Ca -0.08 1.16 0.03 0.00 0.31 0.00 0.00 61.69 63.11 1s3o s THR 39 Cb -0.12 -3.91 0.01 0.00 0.01 0.00 0.00 72.50 68.49 1s3o s THR 39 CO 0.02 0.29 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.47 1s3o s ILE 40 N 0.70 1.36 0.24 1.82 1.01 0.11 -1.51 121.20 124.93 1s3o s ILE 40 Ca 0.31 -0.60 -0.06 0.00 0.00 0.00 0.00 60.65 60.29 1s3o s ILE 40 Cb -0.16 -1.22 -0.02 0.00 0.01 0.00 0.00 42.46 41.07 1s3o s ILE 40 CO 0.14 0.41 0.33 0.72 0.00 0.00 0.00 174.94 176.53 1s3o s PHE 41 N 0.64 0.83 0.19 3.97 -0.71 -0.84 -1.16 117.98 120.89 1s3o s PHE 41 Ca -0.15 -1.10 0.09 0.00 -1.04 0.00 0.00 56.93 54.73 1s3o s PHE 41 Cb -0.16 -0.18 -0.04 0.00 -1.21 0.00 0.00 43.02 41.43 1s3o s PHE 41 CO 0.04 -0.87 -0.06 -1.54 -1.34 0.00 0.00 175.22 171.45 1s3o s SER 42 N -3.12 4.42 -0.07 1.98 1.04 -1.26 0.26 113.70 116.96 1s3o s SER 42 Ca 0.31 -0.54 0.02 0.00 0.48 0.00 0.00 55.95 56.22 1s3o s SER 42 Cb 0.03 -0.81 0.02 0.00 0.10 0.00 0.00 66.02 65.35 1s3o s SER 42 CO 0.12 0.09 -0.11 -0.22 0.98 0.00 0.00 173.24 174.11 1s3o s LEU 43 N -2.96 1.55 -0.03 2.42 1.98 -0.83 -0.35 118.68 120.46 1s3o s LEU 43 Ca 0.26 -0.28 -0.10 0.00 -2.89 0.00 0.00 54.13 51.12 1s3o s LEU 43 Cb -0.09 -0.79 -0.05 0.00 0.66 0.00 0.00 46.19 45.93 1s3o s LEU 43 CO 0.17 0.00 0.30 0.00 -1.89 0.00 0.00 176.35 174.93 1s3o s ALA 44 N 0.84 3.78 -0.04 5.97 0.00 -0.06 -1.84 121.76 130.41 1s3o s ALA 44 Ca -0.11 -0.42 0.01 0.00 0.00 0.00 0.00 51.96 51.44 1s3o s ALA 44 Cb -0.15 -2.19 0.02 0.00 0.00 0.00 0.00 23.12 20.80 1s3o s ALA 44 CO 0.02 0.56 -0.05 0.99 0.00 0.00 0.00 175.76 177.28 1s3o s THR 45 N -1.14 0.56 -0.29 0.00 2.01 -0.37 -2.98 115.64 113.44 1s3o s THR 45 Ca 0.23 -0.15 -0.10 0.00 0.31 0.00 0.00 61.69 61.98 1s3o s THR 45 Cb -0.14 -0.58 -0.03 0.00 0.01 0.00 0.00 72.50 71.75 1s3o s THR 45 CO 0.12 0.23 0.16 0.20 -0.69 0.00 0.00 174.62 174.63 1s3o s ASN 46 N 0.85 5.70 -0.21 3.53 -0.87 -1.26 0.12 114.94 122.79 1s3o s ASN 46 Ca -0.12 -0.21 -0.07 0.00 -1.57 0.00 0.00 52.86 50.89 1s3o s ASN 46 Cb -0.14 -2.05 -0.04 0.00 -0.02 0.00 0.00 41.25 39.00 1s3o s ASN 46 CO 0.01 -0.10 0.07 -1.61 -2.57 0.00 0.00 177.10 172.89 1s3o s GLU 47 N 1.69 3.83 -0.04 -0.60 8.01 0.17 -4.99 118.70 126.77 1s3o s GLU 47 Ca 0.06 -0.41 -0.02 0.00 0.01 0.00 0.00 54.97 54.62 1s3o s GLU 47 Cb -0.16 -3.26 0.03 0.00 -4.31 0.00 0.00 34.13 26.43 1s3o s GLU 47 CO 0.08 0.07 0.06 1.41 0.01 0.00 0.00 175.26 176.89 1s3o s MET 48 N 0.93 -0.07 -0.03 1.61 1.75 -1.26 0.62 119.30 122.85 1s3o s MET 48 Ca 0.04 0.36 0.02 0.00 -1.25 0.00 0.00 55.69 54.86 1s3o s MET 48 Cb -0.14 -0.46 0.01 0.00 2.84 0.00 0.00 34.83 37.08 1s3o s MET 48 CO 0.03 -0.31 -0.07 1.67 -0.65 0.00 0.00 175.02 175.69 1s3o s TRP 49 N 2.01 0.80 -0.08 4.11 1.48 -0.55 -4.94 118.94 121.78 1s3o s TRP 49 Ca 0.03 -0.20 -0.17 0.00 -1.06 0.00 0.00 56.10 54.71 1s3o s TRP 49 Cb -0.12 -0.60 -0.05 0.00 -1.16 0.00 0.00 33.47 31.54 1s3o s TRP 49 CO -0.03 -0.10 0.44 0.50 -4.06 0.00 0.00 176.95 173.69 1s3o s ARG 50 N 0.31 4.20 -0.82 3.25 3.00 -1.26 -1.23 118.95 126.39 1s3o s ARG 50 Ca -0.04 0.41 -0.02 0.00 -1.00 0.00 0.00 55.73 55.07 1s3o s ARG 50 Cb -0.09 -3.36 -0.01 0.00 0.00 0.00 0.00 34.95 31.49 1s3o s ARG 50 CO 0.00 0.35 0.74 0.43 0.00 0.00 0.00 175.30 176.82 1s3o n SER 51 N 3.01 -7.26 0.00 -2.12 7.64 -1.26 -4.95 113.62 108.68 1s3o n SER 51 Ca -0.10 -0.30 0.00 0.00 1.01 0.00 0.00 58.87 59.48 1s3o n SER 51 Cb 0.52 -4.94 0.00 0.00 -1.01 0.00 0.00 64.21 58.77 1s3o n SER 51 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1s3o n ASP 61 N -2.16 -0.00 -3.15 6.43 -0.08 -1.26 -5.08 116.55 111.25 1s3o n ASP 61 Ca -0.04 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.29 1s3o n ASP 61 Cb 0.54 0.10 -0.01 0.00 2.34 0.00 0.00 41.12 44.10 1s3o n ASP 61 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1s3o s VAL 62 N -2.21 -0.54 -0.24 5.18 0.11 -1.25 -5.00 120.40 116.46 1s3o s VAL 62 Ca 0.00 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.03 1s3o s VAL 62 Cb 0.00 -0.83 0.02 0.00 -1.53 0.00 0.00 36.38 34.04 1s3o s VAL 62 CO 0.00 0.00 -0.05 -0.44 -3.33 0.00 0.00 175.10 171.28 1s3o s SER 63 N 2.92 4.32 0.09 3.54 0.01 -0.37 -4.96 113.70 119.25 1s3o s SER 63 Ca 0.12 -0.75 -0.17 0.00 1.31 0.00 0.00 55.95 56.46 1s3o s SER 63 Cb -0.09 -1.69 -0.07 0.00 0.21 0.00 0.00 66.02 64.38 1s3o s SER 63 CO -0.18 -0.10 0.55 -1.10 0.41 0.00 0.00 173.24 172.81 1s3o s GLN 64 N 1.37 4.09 -0.09 12.44 -1.52 -1.26 -1.48 119.66 133.22 1s3o s GLN 64 Ca 0.02 0.62 -0.07 0.00 -1.95 0.00 0.00 55.36 53.98 1s3o s GLN 64 Cb -0.16 -3.12 0.03 0.00 -0.22 0.00 0.00 33.01 29.53 1s3o s GLN 64 CO -0.04 0.59 0.22 0.21 -0.25 0.00 0.00 175.29 176.02 1s3o s LYS 65 N -1.41 0.25 -0.10 2.91 2.20 0.20 -4.98 119.74 118.80 1s3o s LYS 65 Ca 0.32 0.34 0.04 0.00 -0.36 0.00 0.00 55.97 56.30 1s3o s LYS 65 Cb -0.18 0.09 -0.00 0.00 -1.51 0.00 0.00 37.83 36.23 1s3o s LYS 65 CO 0.18 -0.05 -0.24 0.99 -0.36 0.00 0.00 175.35 175.88 1s3o s THR 66 N 0.28 2.08 -0.20 3.43 2.01 -1.26 0.42 115.64 122.41 1s3o s THR 66 Ca -0.01 -1.01 -0.06 0.00 0.31 0.00 0.00 61.69 60.91 1s3o s THR 66 Cb -0.03 -1.79 -0.03 0.00 0.01 0.00 0.00 72.50 70.66 1s3o s THR 66 CO -0.01 0.56 0.04 -0.89 -0.69 0.00 0.00 174.62 173.63 1s3o s THR 67 N 0.34 4.40 -0.24 -0.82 2.01 0.12 -4.93 115.64 116.52 1s3o s THR 67 Ca -0.19 -0.16 -0.10 0.00 0.31 0.00 0.00 61.69 61.55 1s3o s THR 67 Cb -0.18 -3.00 -0.05 0.00 0.01 0.00 0.00 72.50 69.28 1s3o s THR 67 CO 0.09 0.43 0.15 0.26 -0.69 0.00 0.00 174.62 174.86 1s3o s TRP 68 N 0.79 3.28 -0.07 4.92 0.52 -1.26 -1.24 118.94 125.89 1s3o s TRP 68 Ca 0.02 0.16 -0.01 0.00 0.02 0.00 0.00 56.10 56.29 1s3o s TRP 68 Cb -0.14 -2.27 -0.03 0.00 -1.15 0.00 0.00 33.47 29.88 1s3o s TRP 68 CO 0.02 0.02 -0.02 -1.01 0.02 0.00 0.00 176.95 175.98 1s3o s HIS 69 N 1.13 3.08 -0.43 -1.98 3.76 -0.76 -4.95 115.29 115.13 1s3o s HIS 69 Ca 0.07 0.13 -0.18 0.00 -0.15 0.00 0.00 55.06 54.93 1s3o s HIS 69 Cb -0.14 -1.75 0.02 0.00 1.11 0.00 0.00 32.58 31.82 1s3o s HIS 69 CO 0.05 0.43 0.49 0.50 -0.85 0.00 0.00 174.74 175.35 1s3o s ARG 70 N -0.93 3.14 -0.22 1.40 6.06 -1.26 -1.97 118.95 125.17 1s3o s ARG 70 Ca 0.14 -0.67 -0.13 0.00 -2.50 0.00 0.00 55.73 52.57 1s3o s ARG 70 Cb -0.11 -3.97 -0.05 0.00 0.06 0.00 0.00 34.95 30.89 1s3o s ARG 70 CO 0.03 -0.90 0.26 0.42 -2.50 0.00 0.00 175.30 172.61 1s3o s ILE 71 N 2.31 5.30 -0.11 4.11 -1.09 0.14 -1.93 121.20 129.93 1s3o s ILE 71 Ca 0.15 0.40 -0.02 0.00 -2.23 0.00 0.00 60.65 58.95 1s3o s ILE 71 Cb -0.16 -3.59 -0.03 0.00 -1.58 0.00 0.00 42.46 37.09 1s3o s ILE 71 CO 0.15 0.32 -0.04 -0.44 -1.23 0.00 0.00 174.94 173.70 1s3o s SER 72 N 0.99 4.85 -0.23 3.58 0.01 -0.58 -1.99 113.70 120.33 1s3o s SER 72 Ca 0.12 -0.02 -0.00 0.00 1.31 0.00 0.00 55.95 57.36 1s3o s SER 72 Cb -0.14 -1.48 0.06 0.00 0.21 0.00 0.00 66.02 64.67 1s3o s SER 72 CO 0.05 0.29 -0.02 0.54 0.41 0.00 0.00 173.24 174.51 1s3o s VAL 73 N -0.38 1.26 -0.03 3.43 0.11 -0.57 -1.27 120.40 122.95 1s3o s VAL 73 Ca 0.06 -1.08 0.12 0.00 -2.93 0.00 0.00 61.98 58.16 1s3o s VAL 73 Cb -0.12 -1.61 -0.22 0.00 -1.53 0.00 0.00 36.38 32.90 1s3o s VAL 73 CO 0.02 -0.16 0.77 -0.26 -3.33 0.00 0.00 175.10 172.14 1s3o h PHE 74 N 8.03 0.00 -1.53 1.54 0.04 -1.84 -2.94 116.94 120.23 1s3o h PHE 74 Ca -0.17 0.00 -0.74 0.00 2.80 0.00 0.00 57.97 59.86 1s3o h PHE 74 Cb 1.08 0.00 0.02 0.00 2.20 0.00 0.00 35.95 39.25 1s3o h PHE 74 CO 0.44 0.97 0.87 0.54 -0.60 0.00 0.00 178.31 180.53 1s3o n ARG 75 N -3.08 1.11 -1.65 1.51 1.74 -1.26 -4.83 116.66 110.20 1s3o n ARG 75 Ca -0.14 0.41 -0.48 0.00 -0.77 0.00 0.00 57.85 56.87 1s3o n ARG 75 Cb 1.02 -2.08 -0.05 0.00 -1.02 0.00 0.00 32.46 30.33 1s3o n ARG 75 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1s3o n PRO 76 N 5.17 2.10 0.00 5.56 -0.04 -1.26 -2.18 135.00 144.36 1s3o n PRO 76 Ca 0.26 0.74 0.00 0.00 -0.04 0.00 0.00 63.50 64.47 1s3o n PRO 76 Cb 0.12 -2.71 0.00 0.00 -0.04 0.00 0.00 33.50 30.87 1s3o n PRO 76 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1s3o n GLY 77 N 4.76 2.22 0.28 0.55 0.00 -1.26 -4.79 105.19 106.96 1s3o n GLY 77 Ca 0.25 -0.75 0.13 0.00 0.00 0.00 0.00 46.02 45.64 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 0.20 0.99 5.85 -1.94 -0.09 115.31 120.33 1s3o h LEU 78 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1s3o h LEU 78 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1s3o h LEU 78 CO 0.00 0.01 -0.19 -0.09 -0.34 0.00 0.00 178.44 177.83 1s3o h ARG 79 N 0.00 -0.40 -0.25 1.25 2.43 -1.63 0.18 114.38 115.97 1s3o h ARG 79 Ca -0.00 0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.13 1s3o h ARG 79 Cb 0.01 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1s3o h ARG 79 CO 0.00 -0.26 -0.12 -0.44 -1.51 0.00 0.00 179.97 177.64 1s3o h ASP 80 N -0.41 0.53 0.02 -3.80 3.32 -1.36 0.89 116.42 115.61 1s3o h ASP 80 Ca -0.00 -0.41 -0.00 0.00 0.02 0.00 0.00 57.03 56.64 1s3o h ASP 80 Cb 0.38 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1s3o h ASP 80 CO -0.04 0.83 -0.01 0.58 -1.72 0.00 0.00 179.24 178.88 1s3o h VAL 81 N 0.24 1.05 -0.93 -1.35 2.07 -1.17 -1.37 116.25 114.79 1s3o h VAL 81 Ca 0.05 -0.21 0.12 0.00 0.82 0.00 0.00 66.70 67.49 1s3o h VAL 81 Cb 0.62 1.19 -0.07 0.00 -1.52 0.00 0.00 31.29 31.51 1s3o h VAL 81 CO 0.04 0.05 0.59 0.00 0.02 0.00 0.00 177.57 178.27 1s3o h ALA 82 N 0.86 1.67 -0.13 1.67 0.00 -0.46 -0.79 119.26 122.08 1s3o h ALA 82 Ca -0.00 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1s3o h ALA 82 Cb 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1s3o h ALA 82 CO 0.00 0.10 -0.27 -0.92 0.00 0.00 0.00 179.25 178.16 1s3o h TYR 83 N 0.85 0.52 0.00 0.00 3.20 -0.53 -1.76 116.97 119.25 1s3o h TYR 83 Ca 0.45 -0.19 -0.18 0.00 3.14 0.00 0.00 58.73 61.95 1s3o h TYR 83 Cb 0.55 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.70 1s3o h TYR 83 CO -0.00 0.89 -0.92 1.96 -1.64 0.00 0.00 178.16 178.45 1s3o h GLN 84 N 0.01 0.00 0.00 1.82 7.50 -1.05 -3.39 115.11 119.99 1s3o h GLN 84 Ca 0.00 0.00 -0.22 0.00 0.50 0.00 0.00 58.65 58.93 1s3o h GLN 84 Cb 0.87 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 28.36 1s3o h GLN 84 CO 0.06 0.78 -2.19 0.66 -1.50 0.00 0.00 178.83 176.64 1s3o n TYR 85 N -3.27 0.00 -3.23 2.96 4.01 -0.32 -4.91 117.16 112.39 1s3o n TYR 85 Ca -0.01 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.35 1s3o n TYR 85 Cb 0.88 -0.78 -0.06 0.00 -0.31 0.00 0.00 39.34 39.08 1s3o n TYR 85 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1s3o s VAL 86 N -2.85 4.70 0.28 -0.72 -7.23 -0.66 -5.05 120.40 108.86 1s3o s VAL 86 Ca -0.09 1.21 0.02 0.00 -1.81 0.00 0.00 61.98 61.31 1s3o s VAL 86 Cb 0.09 -3.89 -0.06 0.00 0.56 0.00 0.00 36.38 33.08 1s3o s VAL 86 CO 0.83 0.45 0.08 -0.75 -0.31 0.00 0.00 175.10 175.40 1s3o s LYS 87 N -1.39 1.50 0.06 4.82 2.47 -1.26 -4.34 119.74 121.60 1s3o s LYS 87 Ca 0.33 -1.82 -0.31 0.00 -1.56 0.00 0.00 55.97 52.62 1s3o s LYS 87 Cb -0.19 -0.47 -0.07 0.00 -1.46 0.00 0.00 37.83 35.64 1s3o s LYS 87 CO 0.20 -0.26 1.44 0.21 0.16 0.00 0.00 175.35 177.10 1s3o s LYS 88 N -3.98 4.28 0.00 4.03 2.20 -1.25 -2.97 119.74 122.05 1s3o s LYS 88 Ca 0.37 2.07 0.00 0.00 -0.36 0.00 0.00 55.97 58.05 1s3o s LYS 88 Cb 0.08 -3.45 0.00 0.00 -1.51 0.00 0.00 37.83 32.96 1s3o s LYS 88 CO 0.14 -0.55 0.00 0.41 -0.36 0.00 0.00 175.35 175.00 1s3o n GLY 89 N 3.64 2.38 3.63 5.54 0.00 -1.03 -4.98 105.19 114.37 1s3o n GLY 89 Ca 0.13 -0.80 -0.49 0.00 0.00 0.00 0.00 46.02 44.86 1s3o n GLY 89 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1s3o n SER 90 N 0.07 2.32 -4.77 1.61 7.64 -1.16 -4.55 113.62 114.79 1s3o n SER 90 Ca 0.00 1.11 -0.40 0.00 1.01 0.00 0.00 58.87 60.59 1s3o n SER 90 Cb 0.00 -1.31 -0.06 0.00 -1.01 0.00 0.00 64.21 61.83 1s3o n SER 90 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1s3o s ARG 91 N 0.50 4.56 -0.03 1.43 3.52 -1.26 -0.82 118.95 126.85 1s3o s ARG 91 Ca 0.80 1.15 -0.21 0.00 -0.13 0.00 0.00 55.73 57.34 1s3o s ARG 91 Cb -0.80 -3.29 0.04 0.00 -1.56 0.00 0.00 34.95 29.34 1s3o s ARG 91 CO 0.44 0.49 0.45 -1.50 -0.81 0.00 0.00 175.30 174.37 1s3o s ILE 92 N -0.86 0.04 -0.06 4.11 2.07 0.20 -3.29 121.20 123.41 1s3o s ILE 92 Ca 0.37 -0.29 0.06 0.00 -1.41 0.00 0.00 60.65 59.38 1s3o s ILE 92 Cb -0.23 -0.76 -0.01 0.00 0.13 0.00 0.00 42.46 41.60 1s3o s ILE 92 CO 0.26 -0.16 -0.25 -0.47 -1.91 0.00 0.00 174.94 172.41 1s3o s TYR 93 N -1.25 2.44 0.14 3.50 5.04 -0.44 -1.56 117.35 125.23 1s3o s TYR 93 Ca -0.12 -0.74 -0.07 0.00 -2.44 0.00 0.00 57.07 53.70 1s3o s TYR 93 Cb -0.03 -1.60 -0.02 0.00 0.35 0.00 0.00 41.96 40.66 1s3o s TYR 93 CO 0.06 -0.23 0.21 -0.48 -1.34 0.00 0.00 175.55 173.78 1s3o s LEU 94 N -0.14 1.26 -0.02 6.97 -0.00 -0.41 0.06 118.68 126.40 1s3o s LEU 94 Ca -0.04 -0.93 0.02 0.00 -0.00 0.00 0.00 54.13 53.18 1s3o s LEU 94 Cb -0.14 0.93 0.00 0.00 -0.00 0.00 0.00 46.19 46.99 1s3o s LEU 94 CO 0.04 -0.83 -0.05 -1.61 -0.00 0.00 0.00 176.35 173.90 1s3o s GLU 95 N -3.97 0.55 0.00 1.48 2.02 -0.92 -1.32 118.70 116.54 1s3o s GLU 95 Ca 0.17 -0.17 0.00 0.00 0.02 0.00 0.00 54.97 54.99 1s3o s GLU 95 Cb 0.05 -0.56 0.00 0.00 0.10 0.00 0.00 34.13 33.72 1s3o s GLU 95 CO -0.01 0.06 0.00 0.41 0.02 0.00 0.00 175.26 175.74 1s3o n GLY 96 N 3.28 3.00 3.37 -1.39 0.00 -0.87 -0.98 105.19 111.60 1s3o n GLY 96 Ca -0.17 -0.96 -0.32 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.10 2.26 0.07 1.61 1.02 -1.11 -0.34 119.74 123.15 1s3o s LYS 97 Ca 0.00 -0.84 -0.30 0.00 0.02 0.00 0.00 55.97 54.85 1s3o s LYS 97 Cb 0.00 -2.17 -0.05 0.00 -0.52 0.00 0.00 37.83 35.09 1s3o s LYS 97 CO 0.00 0.58 0.95 0.42 -0.92 0.00 0.00 175.35 176.38 1s3o s ILE 98 N -0.65 4.63 -0.09 2.17 1.01 -1.26 -1.48 121.20 125.52 1s3o s ILE 98 Ca 0.10 2.03 0.01 0.00 0.00 0.00 0.00 60.65 62.80 1s3o s ILE 98 Cb -0.10 -4.31 0.02 0.00 0.01 0.00 0.00 42.46 38.08 1s3o s ILE 98 CO -0.00 0.27 -0.10 -0.62 0.00 0.00 0.00 174.94 174.49 1s3o s ASP 99 N 0.30 1.98 0.69 3.58 2.15 -0.04 -4.97 116.67 120.35 1s3o s ASP 99 Ca 0.48 -0.30 -0.09 0.00 0.43 0.00 0.00 52.55 53.07 1s3o s ASP 99 Cb -0.22 -0.83 0.04 0.00 -0.30 0.00 0.00 42.92 41.60 1s3o s ASP 99 CO 0.29 -0.05 1.04 -0.31 -0.17 0.00 0.00 175.17 175.97 1s3o s TYR 100 N 1.21 3.14 0.03 -5.34 2.02 -1.26 -0.00 117.35 117.14 1s3o s TYR 100 Ca -0.04 0.73 -0.26 0.00 -0.37 0.00 0.00 57.07 57.13 1s3o s TYR 100 Cb -0.14 -3.08 -0.17 0.00 -0.40 0.00 0.00 41.96 38.17 1s3o s TYR 100 CO -0.03 -1.24 1.38 0.78 -1.57 0.00 0.00 175.55 174.87 1s3o h GLY 101 N -0.58 -0.42 -5.57 0.71 0.00 -1.76 -3.43 103.07 92.03 1s3o h GLY 101 Ca -0.45 0.16 -0.08 0.00 0.00 0.00 0.00 47.33 46.96 1s3o h GLY 101 CO 0.62 -0.15 -0.76 1.18 0.00 0.00 0.00 176.54 177.43 1s3o n GLU 102 N -5.16 -2.38 -4.01 4.80 1.02 -1.21 -4.75 120.64 108.95 1s3o n GLU 102 Ca -0.10 2.04 -0.15 0.00 -0.02 0.00 0.00 57.16 58.93 1s3o n GLU 102 Cb 0.24 -4.64 -0.15 0.00 -0.02 0.00 0.00 31.44 26.87 1s3o n GLU 102 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1s3o s TYR 103 N -2.11 0.29 -1.06 -0.32 -0.85 -0.85 -5.01 117.35 107.44 1s3o s TYR 103 Ca 0.21 -0.04 -0.16 0.00 -0.52 0.00 0.00 57.07 56.57 1s3o s TYR 103 Cb -0.05 -0.26 0.16 0.00 0.38 0.00 0.00 41.96 42.19 1s3o s TYR 103 CO 0.75 -0.05 1.25 -1.64 -1.52 0.00 0.00 175.55 174.34 1s3o s MET 104 N 0.29 3.86 0.06 -3.49 -1.94 -1.26 -0.21 119.30 116.61 1s3o s MET 104 Ca -0.03 -2.24 -0.27 0.00 -1.71 0.00 0.00 55.69 51.44 1s3o s MET 104 Cb -0.05 -4.95 -0.14 0.00 2.01 0.00 0.00 34.83 31.70 1s3o s MET 104 CO -0.01 -1.72 1.41 0.22 -0.01 0.00 0.00 175.02 174.91 1s3o h ASP 105 N 7.90 -0.96 0.00 3.03 1.82 -1.61 -3.44 116.42 123.16 1s3o h ASP 105 Ca 0.23 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.93 1s3o h ASP 105 Cb 0.95 0.30 0.00 0.00 0.68 0.00 0.00 39.33 41.25 1s3o h ASP 105 CO 1.15 -0.53 0.00 1.17 -1.61 0.00 0.00 179.24 179.42 1s3o n LYS 106 N -4.66 0.00 -0.23 0.28 4.81 0.54 -4.88 118.16 114.02 1s3o n LYS 106 Ca -0.10 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.37 1s3o n LYS 106 Cb 0.36 0.00 0.15 0.00 0.02 0.00 0.00 35.03 35.55 1s3o n LYS 106 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 1s3o h ASN 107 N 0.00 0.13 0.00 3.14 -0.26 -2.01 -3.40 115.58 113.17 1s3o h ASN 107 Ca 0.00 0.11 0.00 0.00 -0.56 0.00 0.00 56.30 55.85 1s3o h ASN 107 Cb 0.00 0.13 0.00 0.00 -1.06 0.00 0.00 38.32 37.39 1s3o h ASN 107 CO 0.00 0.05 0.00 0.59 -1.06 0.00 0.00 177.43 177.01 1s3o n ASN 108 N -5.07 0.00 -4.53 5.81 3.02 -1.26 -5.09 115.26 108.14 1s3o n ASN 108 Ca 0.12 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.33 1s3o n ASN 108 Cb 0.37 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.45 1s3o n ASN 108 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1s3o n VAL 109 N 0.00 -0.04 -2.16 2.41 0.31 -1.26 -4.06 118.33 113.53 1s3o n VAL 109 Ca 0.00 -0.47 -0.29 0.00 -0.01 0.00 0.00 64.34 63.58 1s3o n VAL 109 Cb 0.00 -1.68 0.03 0.00 -0.91 0.00 0.00 33.84 31.28 1s3o n VAL 109 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1s3o s ARG 110 N 8.50 3.04 0.00 5.55 1.70 -1.26 -0.34 118.95 136.14 1s3o s ARG 110 Ca 1.13 0.28 0.00 0.00 -0.47 0.00 0.00 55.73 56.68 1s3o s ARG 110 Cb -0.60 -2.16 0.00 0.00 -0.57 0.00 0.00 34.95 31.62 1s3o s ARG 110 CO 0.35 -0.76 0.00 -2.13 -1.08 0.00 0.00 175.30 171.67 1s3o n ARG 111 N -2.73 0.00 -4.14 3.89 3.00 0.71 -4.77 116.66 112.61 1s3o n ARG 111 Ca 0.05 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.78 1s3o n ARG 111 Cb 0.57 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.95 1s3o n ARG 111 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 1s3o s GLN 112 N -0.52 1.46 -0.46 -0.14 -2.07 -1.26 -2.01 119.66 114.65 1s3o s GLN 112 Ca 0.00 -1.60 0.04 0.00 -1.82 0.00 0.00 55.36 51.98 1s3o s GLN 112 Cb 0.00 0.35 0.19 0.00 -1.09 0.00 0.00 33.01 32.47 1s3o s GLN 112 CO 0.00 -0.54 0.81 0.00 -1.32 0.00 0.00 175.29 174.23 1s3o s ALA 113 N -3.88 -2.72 0.09 2.60 0.00 -1.26 -4.70 121.76 111.89 1s3o s ALA 113 Ca 0.34 -0.08 -0.30 0.00 0.00 0.00 0.00 51.96 51.91 1s3o s ALA 113 Cb 0.03 -2.79 -0.06 0.00 0.00 0.00 0.00 23.12 20.31 1s3o s ALA 113 CO 0.14 -2.31 1.04 -0.08 0.00 0.00 0.00 175.76 174.56 1s3o s THR 114 N 1.03 4.35 0.10 0.00 -1.32 -1.26 -2.44 115.64 116.11 1s3o s THR 114 Ca 0.27 1.84 0.10 0.00 -1.21 0.00 0.00 61.69 62.69 1s3o s THR 114 Cb 0.02 -4.18 -0.04 0.00 -1.51 0.00 0.00 72.50 66.80 1s3o s THR 114 CO -0.07 0.23 -0.27 0.42 -2.21 0.00 0.00 174.62 172.73 1s3o s THR 115 N 0.38 2.21 -0.22 5.08 -4.23 0.99 -4.56 115.64 115.28 1s3o s THR 115 Ca 0.51 -1.65 -0.21 0.00 -1.18 0.00 0.00 61.69 59.16 1s3o s THR 115 Cb -0.25 -1.94 -0.02 0.00 1.34 0.00 0.00 72.50 71.63 1s3o s THR 115 CO 0.31 0.16 0.65 -0.63 -0.54 0.00 0.00 174.62 174.57 1s3o s ILE 116 N -0.99 4.99 -0.40 2.99 -1.09 -0.81 -0.86 121.20 125.03 1s3o s ILE 116 Ca 0.13 1.20 -0.14 0.00 -2.23 0.00 0.00 60.65 59.61 1s3o s ILE 116 Cb -0.10 -3.96 0.02 0.00 -1.58 0.00 0.00 42.46 36.84 1s3o s ILE 116 CO 0.05 0.06 0.28 0.27 -1.23 0.00 0.00 174.94 174.37 1s3o s ILE 117 N 2.23 5.15 0.18 2.92 -4.36 -0.55 -1.53 121.20 125.24 1s3o s ILE 117 Ca 0.28 -0.64 -0.31 0.00 -0.26 0.00 0.00 60.65 59.73 1s3o s ILE 117 Cb -0.16 -3.84 -0.10 0.00 1.25 0.00 0.00 42.46 39.62 1s3o s ILE 117 CO 0.09 -0.26 1.49 0.00 0.24 0.00 0.00 174.94 176.50 1s3o s ALA 118 N 1.66 3.69 -0.07 2.27 0.00 -0.40 -2.76 121.76 126.16 1s3o s ALA 118 Ca 0.05 1.29 0.01 0.00 0.00 0.00 0.00 51.96 53.31 1s3o s ALA 118 Cb -0.19 -3.58 0.01 0.00 0.00 0.00 0.00 23.12 19.36 1s3o s ALA 118 CO 0.09 -0.72 0.77 -0.40 0.00 0.00 0.00 175.76 175.50 1s3o n ASP 119 N 3.50 1.55 -3.66 0.00 3.85 -0.15 -4.59 116.55 117.05 1s3o n ASP 119 Ca 0.11 -1.51 -0.06 0.00 -0.71 0.00 0.00 54.79 52.62 1s3o n ASP 119 Cb 0.40 -0.01 -0.08 0.00 -1.35 0.00 0.00 41.12 40.09 1s3o n ASP 119 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.20 176.40 1s3o s ASN 120 N -0.52 -0.78 -0.14 -1.12 3.04 -1.19 -5.00 114.94 109.22 1s3o s ASN 120 Ca 0.01 1.30 -0.00 0.00 0.04 0.00 0.00 52.86 54.21 1s3o s ASN 120 Cb 0.01 1.48 0.03 0.00 -1.54 0.00 0.00 41.25 41.23 1s3o s ASN 120 CO 0.01 -0.22 -0.10 -0.63 -3.04 0.00 0.00 177.10 173.11 1s3o s ILE 121 N 2.09 1.31 -0.18 -5.21 1.01 -1.26 -2.17 121.20 116.80 1s3o s ILE 121 Ca -0.07 -0.55 -0.05 0.00 0.00 0.00 0.00 60.65 59.98 1s3o s ILE 121 Cb -0.09 -1.32 -0.03 0.00 0.01 0.00 0.00 42.46 41.04 1s3o s ILE 121 CO -0.17 0.35 -0.01 -0.63 0.00 0.00 0.00 174.94 174.48 1s3o s ILE 122 N 1.58 4.01 -0.24 2.92 1.01 0.11 -4.96 121.20 125.63 1s3o s ILE 122 Ca 0.04 -0.30 -0.19 0.00 0.00 0.00 0.00 60.65 60.19 1s3o s ILE 122 Cb -0.13 -2.79 -0.03 0.00 0.01 0.00 0.00 42.46 39.52 1s3o s ILE 122 CO -0.09 0.45 0.56 -0.36 0.00 0.00 0.00 174.94 175.51 1s3o s PHE 123 N 0.70 3.30 -0.95 3.97 0.40 -1.26 -1.33 117.98 122.81 1s3o s PHE 123 Ca -0.00 0.75 -0.17 0.00 -0.60 0.00 0.00 56.93 56.91 1s3o s PHE 123 Cb -0.14 -2.76 0.16 0.00 0.51 0.00 0.00 43.02 40.79 1s3o s PHE 123 CO 0.02 -0.25 1.10 -0.51 0.70 0.00 0.00 175.22 176.28 1s3o s LEU 124 N 2.20 5.41 0.00 -0.37 1.43 -1.21 -5.02 118.68 121.12 1s3o s LEU 124 Ca 0.24 -2.34 0.00 0.00 -1.03 0.00 0.00 54.13 51.00 1s3o s LEU 124 Cb -0.16 -2.36 0.00 0.00 0.03 0.00 0.00 46.19 43.71 1s3o s LEU 124 CO 0.09 -0.91 0.00 -1.20 0.23 0.00 0.00 176.35 174.56