#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s3m s LYS 2 N 0.00 2.70 -0.13 0.03 1.02 -1.26 -2.48 119.74 119.63 1s3m s LYS 2 Ca 0.00 -0.70 0.02 0.00 0.02 0.00 0.00 55.97 55.31 1s3m s LYS 2 Cb 0.00 -2.43 0.00 0.00 -0.52 0.00 0.00 37.83 34.89 1s3m s LYS 2 CO 0.00 0.52 -0.21 0.42 -0.92 0.00 0.00 175.35 175.16 1s3m s ILE 3 N -0.46 2.21 0.26 2.17 1.01 -0.63 -1.01 121.20 124.74 1s3m s ILE 3 Ca 0.06 -0.94 -0.29 0.00 0.00 0.00 0.00 60.65 59.47 1s3m s ILE 3 Cb -0.12 -1.88 -0.09 0.00 0.01 0.00 0.00 42.46 40.38 1s3m s ILE 3 CO 0.02 0.55 0.96 -0.83 0.00 0.00 0.00 174.94 175.63 1s3m s GLY 4 N 0.64 3.05 -0.06 6.18 0.00 0.05 -1.60 107.32 115.57 1s3m s GLY 4 Ca -0.11 0.62 0.03 0.00 0.00 0.00 0.00 44.72 45.27 1s3m s GLY 4 CO 0.02 1.17 -0.14 -0.42 0.00 0.00 0.00 173.10 173.73 1s3m s ILE 5 N -1.27 1.23 0.16 0.90 1.01 -0.08 -0.71 121.20 122.43 1s3m s ILE 5 Ca 0.43 -0.56 -0.13 0.00 0.00 0.00 0.00 60.65 60.39 1s3m s ILE 5 Cb -0.25 -1.09 0.01 0.00 0.01 0.00 0.00 42.46 41.14 1s3m s ILE 5 CO 0.31 0.37 0.37 0.00 0.00 0.00 0.00 174.94 175.99 1s3m s MET 6 N 0.43 1.17 0.12 2.79 0.23 -0.53 -0.89 119.30 122.61 1s3m s MET 6 Ca -0.11 -0.96 -0.25 0.00 -1.03 0.00 0.00 55.69 53.35 1s3m s MET 6 Cb -0.14 0.44 0.08 0.00 -1.53 0.00 0.00 34.83 33.67 1s3m s MET 6 CO 0.03 -0.45 0.70 0.45 -2.03 0.00 0.00 175.02 173.72 1s3m s SER 7 N -2.89 -0.48 -1.14 -1.18 0.15 -1.26 -2.25 113.70 104.65 1s3m s SER 7 Ca 0.10 -0.05 -0.24 0.00 0.70 0.00 0.00 55.95 56.46 1s3m s SER 7 Cb 0.02 0.54 0.01 0.00 -1.71 0.00 0.00 66.02 64.88 1s3m s SER 7 CO -0.05 -0.89 0.75 0.47 1.20 0.00 0.00 173.24 174.73 1s3m n ASP 8 N -0.35 -5.00 0.15 5.45 8.00 -1.26 -1.36 116.55 122.17 1s3m n ASP 8 Ca -0.13 -1.09 0.13 0.00 0.71 0.00 0.00 54.79 54.40 1s3m n ASP 8 Cb 0.64 -2.80 0.45 0.00 -0.02 0.00 0.00 41.12 39.39 1s3m n ASP 8 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1s3m h THR 9 N -2.03 0.00 -6.51 -3.53 1.35 -1.78 -3.04 112.91 97.36 1s3m h THR 9 Ca -0.67 -0.43 -0.43 0.00 -0.55 0.00 0.00 66.41 64.34 1s3m h THR 9 Cb 1.37 1.32 -0.13 0.00 -1.73 0.00 0.00 68.15 68.98 1s3m h THR 9 CO 0.48 0.00 -0.67 1.41 -0.25 0.00 0.00 175.52 176.49 1s3m n HIS 10 N -2.43 -0.87 -0.80 4.73 8.25 -0.89 -0.80 115.22 122.41 1s3m n HIS 10 Ca 0.03 0.38 0.00 0.00 -0.26 0.00 0.00 57.72 57.87 1s3m n HIS 10 Cb 0.34 -1.92 0.00 0.00 1.12 0.00 0.00 29.99 29.53 1s3m n HIS 10 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1s3m n ASP 11 N -1.82 -3.95 -4.56 0.41 8.00 -0.74 -4.87 116.55 109.01 1s3m n ASP 11 Ca -0.21 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 54.99 1s3m n ASP 11 Cb 0.47 -3.04 -0.05 0.00 -0.02 0.00 0.00 41.12 38.49 1s3m n ASP 11 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1s3m s HIS 12 N -0.94 1.96 0.19 1.24 2.46 0.02 -4.82 115.29 115.41 1s3m s HIS 12 Ca 0.00 0.32 -0.12 0.00 0.47 0.00 0.00 55.06 55.73 1s3m s HIS 12 Cb 0.00 -4.17 0.23 0.00 -0.13 0.00 0.00 32.58 28.51 1s3m s HIS 12 CO 0.00 -1.74 1.71 -0.07 -2.47 0.00 0.00 174.74 172.17 1s3m h LEU 13 N 16.88 -0.02 -0.30 8.88 4.07 -1.89 -1.29 115.31 141.64 1s3m h LEU 13 Ca 0.13 0.10 0.03 0.00 0.08 0.00 0.00 57.88 58.22 1s3m h LEU 13 Cb 1.00 0.14 -0.03 0.00 1.08 0.00 0.00 40.66 42.85 1s3m h LEU 13 CO 1.25 0.01 0.11 -0.65 -1.08 0.00 0.00 178.44 178.08 1s3m h PRO 14 N 0.23 0.24 -0.02 1.13 0.11 -2.00 -1.28 132.00 130.42 1s3m h PRO 14 Ca 0.27 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.25 1s3m h PRO 14 Cb 0.38 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.43 1s3m h PRO 14 CO -0.36 0.16 -0.52 -0.91 -0.21 0.00 0.00 178.00 176.15 1s3m h ASN 15 N 0.25 0.05 -0.25 -2.05 4.21 -1.84 -0.81 115.58 115.14 1s3m h ASN 15 Ca 0.13 -0.03 -0.05 0.00 1.21 0.00 0.00 56.30 57.57 1s3m h ASN 15 Cb 0.10 -0.02 -0.02 0.00 -1.12 0.00 0.00 38.32 37.26 1s3m h ASN 15 CO -0.13 0.57 0.01 0.40 -1.29 0.00 0.00 177.43 176.98 1s3m h ILE 16 N 0.04 1.20 -0.02 2.81 2.04 -0.76 -0.39 117.51 122.43 1s3m h ILE 16 Ca -0.00 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.05 1s3m h ILE 16 Cb 0.94 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.94 1s3m h ILE 16 CO 0.07 0.27 -0.06 0.03 0.00 0.00 0.00 178.15 178.46 1s3m h ARG 17 N 0.52 0.07 -0.48 2.37 3.08 -0.39 -1.00 114.38 118.54 1s3m h ARG 17 Ca 0.11 -0.05 0.10 0.00 0.07 0.00 0.00 59.98 60.21 1s3m h ARG 17 Cb 0.33 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 1s3m h ARG 17 CO 0.01 0.69 0.33 0.87 -1.07 0.00 0.00 179.97 180.80 1s3m h LYS 18 N -0.53 0.22 -0.19 0.04 1.57 -0.98 -0.32 116.57 116.38 1s3m h LYS 18 Ca -0.00 -0.01 -0.18 0.00 -1.87 0.00 0.00 60.65 58.58 1s3m h LYS 18 Cb 0.69 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.95 1s3m h LYS 18 CO 0.01 0.15 -0.62 0.00 -0.57 0.00 0.00 179.45 178.42 1s3m h ALA 19 N 1.75 0.54 0.00 3.86 0.00 -0.93 -2.01 119.26 122.47 1s3m h ALA 19 Ca 0.23 -0.55 -0.12 0.00 0.00 0.00 0.00 54.91 54.47 1s3m h ALA 19 Cb 0.59 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1s3m h ALA 19 CO -0.04 0.70 -0.55 0.82 0.00 0.00 0.00 179.25 180.17 1s3m h ILE 20 N 0.50 1.29 0.08 0.00 2.04 0.26 -1.96 117.51 119.72 1s3m h ILE 20 Ca -0.01 -1.97 -0.00 0.00 1.00 0.00 0.00 64.86 63.88 1s3m h ILE 20 Cb 1.21 2.09 0.00 0.00 -0.74 0.00 0.00 36.82 39.38 1s3m h ILE 20 CO 0.12 0.54 -0.04 -0.33 0.00 0.00 0.00 178.15 178.45 1s3m h GLU 21 N 0.00 -0.10 -0.80 2.37 5.08 -1.01 -2.59 114.58 117.53 1s3m h GLU 21 Ca -0.01 0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.51 1s3m h GLU 21 Cb 1.05 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 30.22 1s3m h GLU 21 CO 0.07 0.43 0.35 0.82 -1.00 0.00 0.00 179.01 179.69 1s3m h ILE 22 N -0.72 0.65 -0.44 3.13 2.04 -1.37 0.72 117.51 121.52 1s3m h ILE 22 Ca -0.01 -0.17 -0.09 0.00 1.00 0.00 0.00 64.86 65.59 1s3m h ILE 22 Cb 0.58 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 1s3m h ILE 22 CO 0.02 0.09 -0.08 -0.26 0.00 0.00 0.00 178.15 177.92 1s3m h PHE 23 N 0.49 0.83 0.04 1.37 0.04 -1.37 -3.07 116.94 115.28 1s3m h PHE 23 Ca 0.45 -0.14 -0.00 0.00 2.80 0.00 0.00 57.97 61.08 1s3m h PHE 23 Cb 0.69 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 38.62 1s3m h PHE 23 CO -0.14 0.81 -0.02 -0.91 -0.60 0.00 0.00 178.31 177.45 1s3m h ASN 24 N 0.70 -0.05 0.00 2.17 2.35 -0.55 -2.98 115.58 117.22 1s3m h ASN 24 Ca 0.12 -0.47 0.00 0.00 -0.55 0.00 0.00 56.30 55.40 1s3m h ASN 24 Cb 0.54 0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.93 1s3m h ASN 24 CO 0.03 0.46 0.00 0.47 -1.65 0.00 0.00 177.43 176.75 1s3m n ASP 25 N -4.87 0.00 -4.62 5.81 8.00 0.03 -4.41 116.55 116.50 1s3m n ASP 25 Ca -0.09 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.13 1s3m n ASP 25 Cb 0.26 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.27 1s3m n ASP 25 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1s3m s GLU 26 N -1.63 2.00 0.00 -1.24 0.41 -1.13 -5.07 118.70 112.04 1s3m s GLU 26 Ca 0.00 -2.19 -0.02 0.00 -0.41 0.00 0.00 54.97 52.36 1s3m s GLU 26 Cb 0.00 -1.46 -0.01 0.00 -1.78 0.00 0.00 34.13 30.88 1s3m s GLU 26 CO 0.00 -0.19 0.76 -0.97 -0.49 0.00 0.00 175.26 174.37 1s3m h ASN 27 N 1.68 -0.05 -6.00 -0.19 -0.73 -1.78 -3.48 115.58 105.02 1s3m h ASN 27 Ca -0.43 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.74 1s3m h ASN 27 Cb 1.27 0.01 -0.02 0.00 0.27 0.00 0.00 38.32 39.85 1s3m h ASN 27 CO 0.76 -0.03 -0.49 0.52 -0.37 0.00 0.00 177.43 177.82 1s3m n VAL 28 N -2.20 -3.37 0.08 2.57 0.31 -1.24 -4.88 118.33 109.60 1s3m n VAL 28 Ca -0.01 0.58 -0.21 0.00 -0.01 0.00 0.00 64.34 64.69 1s3m n VAL 28 Cb 0.02 -3.38 -0.12 0.00 -0.91 0.00 0.00 33.84 29.46 1s3m n VAL 28 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 1s3m h GLU 29 N 4.52 0.61 -3.55 5.55 4.11 -1.44 -3.40 114.58 120.98 1s3m h GLU 29 Ca -0.08 -0.77 -0.12 0.00 0.07 0.00 0.00 59.36 58.45 1s3m h GLU 29 Cb 0.40 0.25 -0.19 0.00 0.50 0.00 0.00 28.75 29.71 1s3m h GLU 29 CO 0.01 1.34 -0.44 -0.08 0.07 0.00 0.00 179.01 179.91 1s3m s THR 30 N -3.06 0.10 -0.15 -1.06 -1.32 -1.25 -3.01 115.64 105.89 1s3m s THR 30 Ca -0.09 -0.84 0.02 0.00 -1.21 0.00 0.00 61.69 59.57 1s3m s THR 30 Cb 0.06 -0.74 0.01 0.00 -1.51 0.00 0.00 72.50 70.32 1s3m s THR 30 CO 0.92 -0.46 -0.21 -0.69 -2.21 0.00 0.00 174.62 171.98 1s3m s VAL 31 N -2.12 2.13 -0.09 5.08 1.01 -0.25 -0.77 120.40 125.38 1s3m s VAL 31 Ca -0.09 -0.94 -0.13 0.00 0.00 0.00 0.00 61.98 60.82 1s3m s VAL 31 Cb -0.03 -1.87 -0.05 0.00 0.00 0.00 0.00 36.38 34.43 1s3m s VAL 31 CO -0.02 0.54 0.31 -0.63 0.00 0.00 0.00 175.10 175.30 1s3m s ILE 32 N 0.97 5.25 -0.07 2.22 1.01 0.11 -0.91 121.20 129.78 1s3m s ILE 32 Ca -0.03 0.59 -0.00 0.00 0.00 0.00 0.00 60.65 61.21 1s3m s ILE 32 Cb -0.15 -3.62 0.02 0.00 0.01 0.00 0.00 42.46 38.73 1s3m s ILE 32 CO -0.05 0.50 -0.03 -2.28 0.00 0.00 0.00 174.94 173.08 1s3m s HIS 33 N -0.38 0.83 -0.24 3.97 2.46 0.79 -1.45 115.29 121.28 1s3m s HIS 33 Ca 0.19 -0.27 -0.09 0.00 0.47 0.00 0.00 55.06 55.36 1s3m s HIS 33 Cb -0.14 -0.82 -0.11 0.00 -0.13 0.00 0.00 32.58 31.37 1s3m s HIS 33 CO 0.07 -0.31 -0.28 0.00 -2.47 0.00 0.00 174.74 171.75 1s3m n GLY 35 N 1.72 -1.19 3.65 0.00 0.00 -1.26 -4.10 105.19 104.01 1s3m n GLY 35 Ca -0.46 -0.38 -0.40 0.00 0.00 0.00 0.00 46.02 44.77 1s3m n GLY 35 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1s3m s ASP 36 N -1.62 6.70 0.01 1.61 1.11 -1.26 -3.94 116.67 119.28 1s3m s ASP 36 Ca 0.20 0.86 -0.18 0.00 0.18 0.00 0.00 52.55 53.60 1s3m s ASP 36 Cb -0.04 -2.36 -0.29 0.00 1.07 0.00 0.00 42.92 41.30 1s3m s ASP 36 CO 0.17 -0.33 1.03 -0.26 1.18 0.00 0.00 175.17 176.96 1s3m h PHE 37 N 7.58 0.78 0.00 4.23 -1.00 -1.92 -2.30 116.94 124.31 1s3m h PHE 37 Ca -0.29 -0.51 0.00 0.00 2.81 0.00 0.00 57.97 59.98 1s3m h PHE 37 Cb 1.13 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 40.63 1s3m h PHE 37 CO 0.73 1.36 0.00 0.28 -1.61 0.00 0.00 178.31 179.07 1s3m n VAL 38 N -3.98 0.00 -3.16 -0.55 0.31 -1.26 -1.79 118.33 107.90 1s3m n VAL 38 Ca -0.13 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 63.88 1s3m n VAL 38 Cb 0.88 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.76 1s3m n VAL 38 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1s3m s SER 39 N -3.29 6.66 0.24 4.52 0.01 -1.26 -4.31 113.70 116.27 1s3m s SER 39 Ca 0.00 1.12 -0.04 0.00 1.31 0.00 0.00 55.95 58.33 1s3m s SER 39 Cb 0.00 -2.31 0.41 0.00 0.21 0.00 0.00 66.02 64.33 1s3m s SER 39 CO 0.00 -0.22 1.78 -0.07 0.41 0.00 0.00 173.24 175.15 1s3m h LEU 40 N 2.06 0.53 -1.39 2.44 3.38 -1.95 -1.29 115.31 119.10 1s3m h LEU 40 Ca -0.47 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1s3m h LEU 40 Cb 1.18 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1s3m h LEU 40 CO 0.66 0.28 0.06 2.19 0.09 0.00 0.00 178.44 181.73 1s3m h PHE 41 N 0.66 0.00 -0.28 1.13 -5.15 -2.00 -0.26 116.94 111.03 1s3m h PHE 41 Ca 0.40 0.00 -0.07 0.00 -0.20 0.00 0.00 57.97 58.09 1s3m h PHE 41 Cb 0.45 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.61 1s3m h PHE 41 CO -0.09 0.00 -0.14 0.28 -2.00 0.00 0.00 178.31 176.36 1s3m h VAL 42 N 0.00 1.23 0.00 0.88 2.07 -1.59 -2.71 116.25 116.13 1s3m h VAL 42 Ca 0.00 -1.04 -0.03 0.00 0.82 0.00 0.00 66.70 66.44 1s3m h VAL 42 Cb 0.13 1.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1s3m h VAL 42 CO 0.00 0.34 -0.16 0.40 0.02 0.00 0.00 177.57 178.17 1s3m h ILE 43 N 0.45 0.40 0.00 4.57 2.04 -1.20 -2.41 117.51 121.36 1s3m h ILE 43 Ca 0.08 -0.93 -0.07 0.00 1.00 0.00 0.00 64.86 64.94 1s3m h ILE 43 Cb 0.51 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 38.27 1s3m h ILE 43 CO 0.03 0.15 -0.35 0.11 0.00 0.00 0.00 178.15 178.09 1s3m h LYS 44 N 0.00 0.00 0.00 2.37 1.79 -1.58 -2.12 116.57 117.03 1s3m h LYS 44 Ca -0.00 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.37 1s3m h LYS 44 Cb 0.67 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.31 1s3m h LYS 44 CO 0.02 0.35 -0.46 0.93 -1.08 0.00 0.00 179.45 179.21 1s3m h GLU 45 N 0.00 0.00 0.00 3.15 4.39 -1.47 -2.85 114.58 117.79 1s3m h GLU 45 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1s3m h GLU 45 Cb 0.78 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1s3m h GLU 45 CO 0.05 0.46 0.00 1.19 -1.16 0.00 0.00 179.01 179.55 1s3m n PHE 46 N -3.94 0.00 0.28 4.33 3.72 -0.80 -2.88 117.46 118.17 1s3m n PHE 46 Ca -0.01 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.53 1s3m n PHE 46 Cb 0.49 -0.40 0.81 0.00 -0.94 0.00 0.00 39.48 39.45 1s3m n PHE 46 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 1s3m h GLU 47 N 0.00 0.00 -0.00 -1.08 4.11 -1.51 -0.54 114.58 115.55 1s3m h GLU 47 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1s3m h GLU 47 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1s3m h GLU 47 CO 0.00 0.08 -0.01 0.09 0.07 0.00 0.00 179.01 179.24 1s3m n ASN 48 N -3.51 0.09 -4.70 3.06 4.13 -1.14 -4.81 115.26 108.38 1s3m n ASN 48 Ca -0.02 -0.76 -0.40 0.00 1.68 0.00 0.00 54.58 55.08 1s3m n ASN 48 Cb 0.21 -0.08 -0.05 0.00 -1.54 0.00 0.00 39.78 38.31 1s3m n ASN 48 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1s3m s LEU 49 N -2.19 4.26 0.01 3.41 2.96 -0.21 -4.99 118.68 121.92 1s3m s LEU 49 Ca 0.41 1.11 -0.25 0.00 -0.22 0.00 0.00 54.13 55.18 1s3m s LEU 49 Cb 0.21 -3.07 -0.15 0.00 0.50 0.00 0.00 46.19 43.69 1s3m s LEU 49 CO 0.40 -0.19 1.13 0.78 -1.32 0.00 0.00 176.35 177.14 1s3m h ASN 50 N 7.00 -0.55 -3.78 3.68 -0.26 -1.87 -3.46 115.58 116.34 1s3m h ASN 50 Ca -0.37 -0.08 -0.54 0.00 -0.56 0.00 0.00 56.30 54.76 1s3m h ASN 50 Cb 1.17 0.14 0.20 0.00 -1.06 0.00 0.00 38.32 38.77 1s3m h ASN 50 CO 0.77 -0.17 -0.10 0.00 -1.06 0.00 0.00 177.43 176.88 1s3m n ALA 51 N -2.59 -1.22 -1.66 -0.83 0.00 -1.26 -5.00 120.51 107.94 1s3m n ALA 51 Ca -0.10 -0.43 -0.30 0.00 0.00 0.00 0.00 53.44 52.61 1s3m n ALA 51 Cb 0.31 -2.03 0.09 0.00 0.00 0.00 0.00 19.45 17.82 1s3m n ALA 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1s3m s ASN 52 N -2.04 4.56 -0.04 0.00 4.22 -1.16 -4.76 114.94 115.71 1s3m s ASN 52 Ca 0.66 1.16 0.07 0.00 -2.14 0.00 0.00 52.86 52.60 1s3m s ASN 52 Cb -0.27 -1.86 -0.02 0.00 1.28 0.00 0.00 41.25 40.39 1s3m s ASN 52 CO 0.58 -1.91 -0.24 -0.63 -2.04 0.00 0.00 177.10 172.87 1s3m s ILE 53 N -3.27 2.23 -0.22 0.54 1.01 -1.26 -1.09 121.20 119.14 1s3m s ILE 53 Ca 0.61 -1.03 0.01 0.00 0.00 0.00 0.00 60.65 60.24 1s3m s ILE 53 Cb -0.13 -1.80 0.05 0.00 0.01 0.00 0.00 42.46 40.59 1s3m s ILE 53 CO 0.53 0.58 -0.08 -0.63 0.00 0.00 0.00 174.94 175.34 1s3m s ILE 54 N -0.50 1.65 0.35 2.92 1.01 -0.09 -1.75 121.20 124.80 1s3m s ILE 54 Ca 0.06 -1.18 0.09 0.00 0.00 0.00 0.00 60.65 59.62 1s3m s ILE 54 Cb -0.11 -1.82 -0.06 0.00 0.01 0.00 0.00 42.46 40.48 1s3m s ILE 54 CO 0.01 0.02 -0.02 0.00 0.00 0.00 0.00 174.94 174.95 1s3m s ALA 55 N 1.36 3.14 0.09 9.38 0.00 0.19 -0.15 121.76 135.77 1s3m s ALA 55 Ca -0.04 -2.05 0.04 0.00 0.00 0.00 0.00 51.96 49.91 1s3m s ALA 55 Cb -0.18 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.71 1s3m s ALA 55 CO -0.07 0.04 -0.12 0.99 0.00 0.00 0.00 175.76 176.60 1s3m s THR 56 N -2.58 1.04 0.08 0.00 2.01 -0.18 -2.66 115.64 113.35 1s3m s THR 56 Ca 0.34 -1.49 -0.29 0.00 0.31 0.00 0.00 61.69 60.56 1s3m s THR 56 Cb 0.02 -1.22 -0.05 0.00 0.01 0.00 0.00 72.50 71.26 1s3m s THR 56 CO 0.18 -0.40 0.95 -0.31 -0.69 0.00 0.00 174.62 174.35 1s3m s TYR 57 N -1.88 3.77 0.35 4.92 2.02 -0.97 -4.62 117.35 120.95 1s3m s TYR 57 Ca 0.02 1.74 -0.03 0.00 -0.37 0.00 0.00 57.07 58.43 1s3m s TYR 57 Cb -0.06 -3.05 -0.04 0.00 -0.40 0.00 0.00 41.96 38.41 1s3m s TYR 57 CO 0.01 0.16 0.60 0.20 -1.57 0.00 0.00 175.55 174.96 1s3m s GLY 58 N 0.24 1.58 0.28 0.71 0.00 -1.25 -4.56 107.32 104.31 1s3m s GLY 58 Ca 0.47 -0.68 0.21 0.00 0.00 0.00 0.00 44.72 44.72 1s3m s GLY 58 CO 0.29 -0.58 1.64 1.16 0.00 0.00 0.00 173.10 175.60 1s3m n ASN 59 N -1.55 0.56 0.03 1.64 6.94 -1.26 -2.26 115.26 119.36 1s3m n ASN 59 Ca -0.02 0.72 0.11 0.00 -0.02 0.00 0.00 54.58 55.36 1s3m n ASN 59 Cb 0.55 -0.80 -0.04 0.00 -2.36 0.00 0.00 39.78 37.13 1s3m n ASN 59 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1s3m n ASN 60 N -2.20 0.53 -4.57 0.53 3.02 -1.26 -4.88 115.26 106.43 1s3m n ASN 60 Ca -0.00 -0.10 -0.40 0.00 -0.03 0.00 0.00 54.58 54.05 1s3m n ASN 60 Cb 0.09 1.04 -0.03 0.00 -0.61 0.00 0.00 39.78 40.28 1s3m n ASN 60 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1s3m s ASP 61 N -4.29 5.33 0.06 6.41 1.01 -0.96 -4.85 116.67 119.38 1s3m s ASP 61 Ca 0.00 0.87 0.07 0.00 0.71 0.00 0.00 52.55 54.20 1s3m s ASP 61 Cb 0.13 -2.52 -0.23 0.00 1.01 0.00 0.00 42.92 41.32 1s3m s ASP 61 CO 0.83 -2.23 1.07 1.23 0.21 0.00 0.00 175.17 176.28 1s3m h GLY 62 N 16.06 0.04 -5.83 0.21 0.00 -1.89 -3.39 103.07 108.27 1s3m h GLY 62 Ca -0.29 -0.11 -0.76 0.00 0.00 0.00 0.00 47.33 46.17 1s3m h GLY 62 CO 1.13 0.10 1.88 1.18 0.00 0.00 0.00 176.54 180.83 1s3m n GLU 63 N -3.29 4.85 -0.07 4.80 -0.58 -1.26 -4.89 120.64 120.19 1s3m n GLU 63 Ca -0.06 -3.87 -0.11 0.00 -0.42 0.00 0.00 57.16 52.70 1s3m n GLU 63 Cb 0.98 -2.56 -0.05 0.00 -0.57 0.00 0.00 31.44 29.24 1s3m n GLU 63 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1s3m h ARG 64 N 4.41 -0.37 -0.00 3.49 3.08 -1.97 -0.29 114.38 122.73 1s3m h ARG 64 Ca 0.64 0.03 -0.20 0.00 0.07 0.00 0.00 59.98 60.51 1s3m h ARG 64 Cb 0.31 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1s3m h ARG 64 CO 1.36 -0.25 -0.89 0.00 -1.07 0.00 0.00 179.97 179.13 1s3m h LYS 66 N 0.15 0.80 -0.36 0.00 1.63 -1.94 -1.49 116.57 115.36 1s3m h LYS 66 Ca -0.05 -0.12 -0.13 0.00 -0.85 0.00 0.00 60.65 59.50 1s3m h LYS 66 Cb 1.51 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 32.99 1s3m h LYS 66 CO 0.14 0.66 -0.30 1.25 -3.45 0.00 0.00 179.45 177.75 1s3m h LEU 67 N 0.79 0.79 -0.52 5.20 5.85 -0.95 -1.89 115.31 124.58 1s3m h LEU 67 Ca 0.19 -0.32 -0.10 0.00 0.84 0.00 0.00 57.88 58.49 1s3m h LEU 67 Cb 0.15 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1s3m h LEU 67 CO -0.02 1.04 -0.06 0.50 -0.34 0.00 0.00 178.44 179.56 1s3m h LYS 68 N 0.65 0.95 0.58 1.25 3.64 -1.06 -1.95 116.57 120.64 1s3m h LYS 68 Ca 0.08 -0.33 -0.03 0.00 -1.27 0.00 0.00 60.65 59.09 1s3m h LYS 68 Cb 0.83 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 32.58 1s3m h LYS 68 CO 0.07 1.00 -0.28 0.93 -2.27 0.00 0.00 179.45 178.90 1s3m h GLU 69 N 0.82 -0.75 -0.65 1.90 5.08 -1.14 -1.20 114.58 118.64 1s3m h GLU 69 Ca 0.14 0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.59 1s3m h GLU 69 Cb 0.60 0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.99 1s3m h GLU 69 CO 0.04 -0.46 0.43 -1.49 -1.00 0.00 0.00 179.01 176.52 1s3m h TRP 70 N -0.89 0.73 -0.21 4.33 4.06 -1.39 0.24 115.95 122.83 1s3m h TRP 70 Ca -0.08 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 60.87 1s3m h TRP 70 Cb 0.64 -0.24 -0.01 0.00 -1.00 0.00 0.00 29.16 28.54 1s3m h TRP 70 CO -0.01 0.42 0.08 -0.07 -3.56 0.00 0.00 178.44 175.30 1s3m h LEU 71 N 0.76 0.29 -0.80 -4.49 3.38 -1.17 -2.20 115.31 111.08 1s3m h LEU 71 Ca 0.26 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 1s3m h LEU 71 Cb 0.09 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1s3m h LEU 71 CO -0.07 0.39 -0.20 0.11 0.09 0.00 0.00 178.44 178.76 1s3m h LYS 72 N 0.18 0.69 -0.06 1.13 1.57 0.04 -2.41 116.57 117.70 1s3m h LYS 72 Ca 0.07 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1s3m h LYS 72 Cb 0.19 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 1s3m h LYS 72 CO -0.00 0.84 0.03 -0.44 -0.57 0.00 0.00 179.45 179.31 1s3m h ASP 73 N 0.61 0.07 1.30 0.86 3.32 -0.42 0.80 116.42 122.95 1s3m h ASP 73 Ca 0.09 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1s3m h ASP 73 Cb 0.67 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1s3m h ASP 73 CO 0.05 0.06 0.00 0.40 -1.72 0.00 0.00 179.24 178.03 1s3m h ILE 74 N 0.08 0.00 0.00 0.35 1.08 -0.90 -3.45 117.51 114.67 1s3m h ILE 74 Ca 0.02 -0.62 0.00 0.00 -0.39 0.00 0.00 64.86 63.88 1s3m h ILE 74 Cb 0.00 1.59 0.00 0.00 -3.07 0.00 0.00 36.82 35.34 1s3m h ILE 74 CO -0.00 0.00 0.00 -3.20 -0.69 0.00 0.00 178.15 174.26 1s3m n ASN 75 N -2.95 0.00 0.20 1.72 4.05 0.27 -5.00 115.26 113.55 1s3m n ASN 75 Ca 0.02 0.00 0.18 0.00 0.45 0.00 0.00 54.58 55.23 1s3m n ASN 75 Cb 0.37 0.00 0.83 0.00 1.23 0.00 0.00 39.78 42.21 1s3m n ASN 75 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 177.26 175.26 1s3m h GLU 76 N 0.00 0.00 -0.39 1.20 4.11 -1.65 -1.43 114.58 116.42 1s3m h GLU 76 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.35 1s3m h GLU 76 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1s3m h GLU 76 CO 0.00 0.00 -0.07 0.93 0.07 0.00 0.00 179.01 179.94 1s3m h GLU 77 N 0.00 0.67 -6.54 1.06 5.08 -1.93 -3.45 114.58 109.47 1s3m h GLU 77 Ca 0.10 -0.20 -0.60 0.00 -1.00 0.00 0.00 59.36 57.66 1s3m h GLU 77 Cb 0.60 -0.07 0.10 0.00 0.50 0.00 0.00 28.75 29.88 1s3m h GLU 77 CO -0.00 0.74 0.33 0.09 -1.00 0.00 0.00 179.01 179.17 1s3m n ASN 78 N -4.20 1.93 -4.18 1.42 3.02 -0.54 -4.85 115.26 107.87 1s3m n ASN 78 Ca 0.01 1.17 -0.14 0.00 -0.03 0.00 0.00 54.58 55.60 1s3m n ASN 78 Cb 0.32 -1.35 -0.11 0.00 -0.61 0.00 0.00 39.78 38.04 1s3m n ASN 78 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1s3m s ILE 79 N -0.75 0.91 -0.25 2.41 -4.36 -0.72 -4.67 121.20 113.76 1s3m s ILE 79 Ca 0.62 -1.74 -0.10 0.00 -0.26 0.00 0.00 60.65 59.17 1s3m s ILE 79 Cb -0.68 -1.46 0.10 0.00 1.25 0.00 0.00 42.46 41.67 1s3m s ILE 79 CO 0.57 -0.64 0.56 -0.51 0.24 0.00 0.00 174.94 175.17 1s3m s ILE 80 N -2.76 -0.65 0.28 8.37 2.07 -1.26 -0.64 121.20 126.62 1s3m s ILE 80 Ca 0.08 0.06 -0.03 0.00 -1.41 0.00 0.00 60.65 59.34 1s3m s ILE 80 Cb -0.01 -0.86 -0.01 0.00 0.13 0.00 0.00 42.46 41.71 1s3m s ILE 80 CO -0.01 0.03 0.36 -0.62 -1.91 0.00 0.00 174.94 172.79 1s3m s ASP 81 N 2.48 0.57 0.17 4.50 2.15 -1.09 -4.94 116.67 120.52 1s3m s ASP 81 Ca -0.06 -1.36 -0.08 0.00 0.43 0.00 0.00 52.55 51.48 1s3m s ASP 81 Cb -0.11 0.56 0.05 0.00 -0.30 0.00 0.00 42.92 43.12 1s3m s ASP 81 CO -0.17 -1.11 1.53 0.44 -0.17 0.00 0.00 175.17 175.69 1s3m h ASP 82 N 2.28 0.89 -3.41 -0.34 3.32 -1.90 -2.57 116.42 114.69 1s3m h ASP 82 Ca -0.29 -0.39 -0.46 0.00 0.02 0.00 0.00 57.03 55.90 1s3m h ASP 82 Cb 1.24 -0.25 -0.34 0.00 0.22 0.00 0.00 39.33 40.20 1s3m h ASP 82 CO 0.41 1.15 -0.79 -0.36 -1.72 0.00 0.00 179.24 177.94 1s3m s PHE 83 N -4.41 1.11 -0.13 4.55 0.40 -1.26 -4.43 117.98 113.80 1s3m s PHE 83 Ca -0.10 -0.39 -0.01 0.00 -0.60 0.00 0.00 56.93 55.83 1s3m s PHE 83 Cb 0.12 -0.89 -0.02 0.00 0.51 0.00 0.00 43.02 42.74 1s3m s PHE 83 CO 0.86 -0.26 -0.09 0.42 0.70 0.00 0.00 175.22 176.86 1s3m s ILE 84 N 0.92 3.46 -0.32 0.64 -1.09 -0.64 -5.00 121.20 119.16 1s3m s ILE 84 Ca -0.11 -0.52 0.03 0.00 -2.23 0.00 0.00 60.65 57.82 1s3m s ILE 84 Cb -0.15 -2.47 0.10 0.00 -1.58 0.00 0.00 42.46 38.36 1s3m s ILE 84 CO 0.01 0.52 0.05 -0.55 -1.23 0.00 0.00 174.94 173.74 1s3m s SER 85 N 0.19 4.52 0.12 3.58 0.15 -1.26 -1.31 113.70 119.69 1s3m s SER 85 Ca -0.05 -1.95 -0.03 0.00 0.70 0.00 0.00 55.95 54.62 1s3m s SER 85 Cb -0.15 -1.41 -0.03 0.00 -1.71 0.00 0.00 66.02 62.73 1s3m s SER 85 CO 0.04 -0.38 0.08 0.68 1.20 0.00 0.00 173.24 174.86 1s3m s VAL 86 N 1.12 0.12 -0.11 4.45 -7.23 -0.63 -4.99 120.40 113.13 1s3m s VAL 86 Ca 0.09 -1.78 -0.01 0.00 -1.81 0.00 0.00 61.98 58.47 1s3m s VAL 86 Cb -0.19 -1.89 -0.03 0.00 0.56 0.00 0.00 36.38 34.84 1s3m s VAL 86 CO -0.12 -0.54 -0.05 -0.70 -0.31 0.00 0.00 175.10 173.37 1s3m s GLU 87 N -4.00 3.20 -0.07 4.82 2.12 -1.26 0.12 118.70 123.62 1s3m s GLU 87 Ca 0.19 -0.53 -0.08 0.00 0.36 0.00 0.00 54.97 54.91 1s3m s GLU 87 Cb 0.07 -2.75 0.02 0.00 0.26 0.00 0.00 34.13 31.73 1s3m s GLU 87 CO -0.01 0.47 0.23 0.42 -0.54 0.00 0.00 175.26 175.83 1s3m s ILE 88 N -0.27 0.01 -1.55 -3.70 1.01 0.13 -4.90 121.20 111.93 1s3m s ILE 88 Ca 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 60.65 60.59 1s3m s ILE 88 Cb -0.13 -0.36 0.01 0.00 0.01 0.00 0.00 42.46 41.99 1s3m s ILE 88 CO 0.02 -0.05 0.03 0.47 0.00 0.00 0.00 174.94 175.42 1s3m n ASP 89 N 2.71 0.83 -1.94 3.58 8.00 -1.26 -0.16 116.55 128.30 1s3m n ASP 89 Ca -0.14 -1.27 -0.19 0.00 0.71 0.00 0.00 54.79 53.90 1s3m n ASP 89 Cb 0.58 -1.66 -0.05 0.00 -0.02 0.00 0.00 41.12 39.98 1s3m n ASP 89 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1s3m n ASP 90 N -2.88 -5.28 -4.19 -2.24 8.00 -1.26 -4.84 116.55 103.85 1s3m n ASP 90 Ca -0.32 0.27 -0.26 0.00 0.71 0.00 0.00 54.79 55.19 1s3m n ASP 90 Cb 0.69 -4.56 -0.16 0.00 -0.02 0.00 0.00 41.12 37.08 1s3m n ASP 90 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1s3m s LEU 91 N -5.19 2.03 -0.35 0.64 1.43 0.77 -5.12 118.68 112.89 1s3m s LEU 91 Ca 0.00 -0.35 -0.14 0.00 -1.03 0.00 0.00 54.13 52.61 1s3m s LEU 91 Cb 0.00 -1.00 -0.01 0.00 0.03 0.00 0.00 46.19 45.20 1s3m s LEU 91 CO 0.00 0.23 0.27 -0.54 0.23 0.00 0.00 176.35 176.54 1s3m s LYS 92 N -0.41 3.46 0.01 1.70 1.02 -1.26 -0.69 119.74 123.56 1s3m s LYS 92 Ca 0.06 -0.63 -0.02 0.00 0.02 0.00 0.00 55.97 55.41 1s3m s LYS 92 Cb -0.08 -3.82 -0.04 0.00 -0.52 0.00 0.00 37.83 33.37 1s3m s LYS 92 CO -0.00 -0.49 0.16 -0.06 -0.92 0.00 0.00 175.35 174.04 1s3m s PHE 93 N 1.78 3.48 -0.14 3.18 0.40 0.33 -0.20 117.98 126.81 1s3m s PHE 93 Ca 0.07 0.30 -0.00 0.00 -0.60 0.00 0.00 56.93 56.70 1s3m s PHE 93 Cb -0.17 -1.79 0.03 0.00 0.51 0.00 0.00 43.02 41.60 1s3m s PHE 93 CO 0.11 0.61 -0.07 0.12 0.70 0.00 0.00 175.22 176.70 1s3m s PHE 94 N -1.33 1.64 -0.04 0.36 5.36 -0.65 -1.60 117.98 121.71 1s3m s PHE 94 Ca 0.28 -0.95 0.06 0.00 -0.96 0.00 0.00 56.93 55.36 1s3m s PHE 94 Cb -0.13 -1.30 -0.02 0.00 -0.34 0.00 0.00 43.02 41.24 1s3m s PHE 94 CO 0.20 -0.58 -0.21 0.42 -1.46 0.00 0.00 175.22 173.59 1s3m s ILE 95 N 1.66 2.49 0.12 3.12 1.01 -0.43 -1.10 121.20 128.08 1s3m s ILE 95 Ca 0.03 -0.94 -0.26 0.00 0.00 0.00 0.00 60.65 59.48 1s3m s ILE 95 Cb -0.14 -1.92 0.07 0.00 0.01 0.00 0.00 42.46 40.48 1s3m s ILE 95 CO -0.08 0.58 0.93 0.28 0.00 0.00 0.00 174.94 176.65 1s3m s THR 96 N -0.61 0.00 0.02 2.92 -1.32 -0.64 -1.62 115.64 114.39 1s3m s THR 96 Ca 0.09 -0.51 -0.18 0.00 -1.21 0.00 0.00 61.69 59.88 1s3m s THR 96 Cb -0.11 -1.76 -0.06 0.00 -1.51 0.00 0.00 72.50 69.07 1s3m s THR 96 CO 0.00 0.00 0.50 -2.28 -2.21 0.00 0.00 174.62 170.63 1s3m s HIS 97 N -3.27 3.74 0.60 9.09 2.46 -1.26 -3.56 115.29 123.09 1s3m s HIS 97 Ca 0.10 1.12 0.28 0.00 0.47 0.00 0.00 55.06 57.04 1s3m s HIS 97 Cb -0.01 -2.43 1.25 0.00 -0.13 0.00 0.00 32.58 31.26 1s3m s HIS 97 CO -0.00 0.55 1.64 0.78 -2.47 0.00 0.00 174.74 175.23 1s3m h GLY 98 N 4.92 0.00 0.00 1.59 0.00 -1.87 -3.33 103.07 104.38 1s3m h GLY 98 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1s3m h GLY 98 CO 0.64 0.00 0.00 1.57 0.00 0.00 0.00 176.54 178.75 1s3m n HIS 99 N -3.49 0.00 -3.46 5.60 -0.00 -1.26 -3.23 115.22 109.38 1s3m n HIS 99 Ca 0.15 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.44 1s3m n HIS 99 Cb 1.05 -0.04 -0.08 0.00 -0.00 0.00 0.00 29.99 30.93 1s3m n HIS 99 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1s3m s HIS 100 N -0.74 3.29 0.21 1.57 3.76 -1.25 -4.97 115.29 117.15 1s3m s HIS 100 Ca 0.00 -1.23 -0.08 0.00 -0.15 0.00 0.00 55.06 53.60 1s3m s HIS 100 Cb 0.00 -3.20 0.15 0.00 1.11 0.00 0.00 32.58 30.63 1s3m s HIS 100 CO 0.00 -0.85 1.74 0.37 -0.85 0.00 0.00 174.74 175.15 1s3m h GLN 101 N 8.64 1.15 -0.44 1.40 4.15 -1.92 -2.85 115.11 125.23 1s3m h GLN 101 Ca -0.26 -0.25 0.02 0.00 0.77 0.00 0.00 58.65 58.92 1s3m h GLN 101 Cb 1.10 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 28.60 1s3m h GLN 101 CO 0.86 0.98 0.26 0.66 -1.93 0.00 0.00 178.83 179.67 1s3m h SER 102 N 1.10 0.43 -0.55 -0.69 4.64 -1.93 -0.17 113.55 116.38 1s3m h SER 102 Ca 0.24 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.49 1s3m h SER 102 Cb 0.33 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 1s3m h SER 102 CO -0.00 0.31 0.09 0.58 -0.87 0.00 0.00 176.83 176.93 1s3m h VAL 103 N 0.53 1.25 -0.44 0.95 2.07 -1.95 -1.98 116.25 116.67 1s3m h VAL 103 Ca 0.18 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1s3m h VAL 103 Cb 0.01 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1s3m h VAL 103 CO -0.08 0.35 0.28 0.25 0.02 0.00 0.00 177.57 178.39 1s3m h LEU 104 N 0.80 0.52 -0.82 2.57 5.85 -1.26 -2.07 115.31 120.90 1s3m h LEU 104 Ca 0.17 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 1s3m h LEU 104 Cb 0.40 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 1s3m h LEU 104 CO 0.01 0.40 0.43 -0.08 -0.34 0.00 0.00 178.44 178.86 1s3m h GLU 105 N 0.59 1.15 -0.44 1.25 4.57 -0.86 -2.85 114.58 118.00 1s3m h GLU 105 Ca 0.16 -0.15 -0.10 0.00 -1.18 0.00 0.00 59.36 58.09 1s3m h GLU 105 Cb -0.03 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.32 1s3m h GLU 105 CO -0.03 0.86 -0.14 1.98 -1.18 0.00 0.00 179.01 180.51 1s3m h MET 106 N 1.14 0.82 -0.10 1.92 4.05 -1.13 -2.25 114.93 119.38 1s3m h MET 106 Ca 0.29 -0.29 -0.03 0.00 -0.28 0.00 0.00 59.70 59.38 1s3m h MET 106 Cb 0.06 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.79 1s3m h MET 106 CO -0.04 0.91 -0.07 0.00 0.23 0.00 0.00 176.91 177.94 1s3m h ALA 107 N 1.11 1.69 0.12 0.39 0.00 -1.14 0.14 119.26 121.56 1s3m h ALA 107 Ca 0.12 -0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 1s3m h ALA 107 Cb 0.64 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.38 1s3m h ALA 107 CO 0.04 0.23 -0.92 0.82 0.00 0.00 0.00 179.25 179.43 1s3m h ILE 108 N 0.15 1.39 0.00 0.00 2.04 -1.48 -3.35 117.51 116.27 1s3m h ILE 108 Ca 0.03 -2.47 -0.07 0.00 1.00 0.00 0.00 64.86 63.35 1s3m h ILE 108 Cb 0.23 3.06 -0.01 0.00 -0.74 0.00 0.00 36.82 39.36 1s3m h ILE 108 CO 0.01 0.69 -0.33 0.11 0.00 0.00 0.00 178.15 178.63 1s3m h LYS 109 N -0.43 0.00 -0.48 2.37 6.56 -1.26 -3.24 116.57 120.09 1s3m h LYS 109 Ca -0.18 0.00 -0.13 0.00 -1.06 0.00 0.00 60.65 59.28 1s3m h LYS 109 Cb 1.61 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 33.25 1s3m h LYS 109 CO 0.10 0.33 -0.21 0.66 -2.06 0.00 0.00 179.45 178.28 1s3m h SER 110 N 0.00 1.01 0.00 0.86 4.64 -0.86 -3.47 113.55 115.73 1s3m h SER 110 Ca -0.00 -0.39 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1s3m h SER 110 Cb 0.63 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1s3m h SER 110 CO 0.04 1.18 0.00 0.61 -0.87 0.00 0.00 176.83 177.79 1s3m n GLY 111 N -0.11 0.77 0.00 -0.77 0.00 -1.23 -4.89 105.19 98.96 1s3m n GLY 111 Ca -0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1s3m n GLY 111 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s3m n LEU 112 N 0.00 0.00 -4.20 0.99 4.77 -1.26 -4.83 117.00 112.47 1s3m n LEU 112 Ca 0.00 0.16 -0.15 0.00 -0.03 0.00 0.00 56.01 55.99 1s3m n LEU 112 Cb 0.00 -0.16 -0.11 0.00 -2.33 0.00 0.00 43.42 40.82 1s3m n LEU 112 CO 0.00 -0.02 -0.42 -0.31 -1.33 0.00 0.00 177.39 175.30 1s3m s TYR 113 N -2.32 1.16 -0.19 -1.77 2.02 -1.26 -4.96 117.35 110.02 1s3m s TYR 113 Ca 0.32 -0.63 -0.15 0.00 -0.37 0.00 0.00 57.07 56.23 1s3m s TYR 113 Cb 0.18 -0.62 -0.20 0.00 -0.40 0.00 0.00 41.96 40.92 1s3m s TYR 113 CO 0.36 0.04 0.17 -0.25 -1.57 0.00 0.00 175.55 174.30 1s3m n ASP 114 N 0.51 1.95 -4.21 2.29 8.00 0.72 -4.72 116.55 121.10 1s3m n ASP 114 Ca -0.16 0.33 -0.27 0.00 0.71 0.00 0.00 54.79 55.40 1s3m n ASP 114 Cb 0.58 -0.90 -0.16 0.00 -0.02 0.00 0.00 41.12 40.62 1s3m n ASP 114 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1s3m s VAL 115 N -2.44 1.64 -0.08 2.53 1.01 -0.86 0.03 120.40 122.22 1s3m s VAL 115 Ca -0.28 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 60.84 1s3m s VAL 115 Cb 0.07 -1.37 0.01 0.00 0.00 0.00 0.00 36.38 35.10 1s3m s VAL 115 CO 0.63 0.46 -0.12 -0.69 0.00 0.00 0.00 175.10 175.38 1s3m s VAL 116 N -0.35 1.21 -0.05 2.92 1.01 -0.21 -1.64 120.40 123.29 1s3m s VAL 116 Ca 0.05 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.58 1s3m s VAL 116 Cb -0.09 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 1s3m s VAL 116 CO 0.00 0.38 -0.21 -0.63 0.00 0.00 0.00 175.10 174.64 1s3m s ILE 117 N 0.85 1.74 0.28 2.22 1.01 -0.26 -0.48 121.20 126.58 1s3m s ILE 117 Ca -0.11 -0.89 -0.13 0.00 0.00 0.00 0.00 60.65 59.52 1s3m s ILE 117 Cb -0.15 -1.48 0.01 0.00 0.01 0.00 0.00 42.46 40.84 1s3m s ILE 117 CO 0.01 0.49 0.56 -0.72 0.00 0.00 0.00 174.94 175.28 1s3m s TYR 118 N -0.08 0.34 0.00 3.97 -0.85 -0.91 -1.62 117.35 118.20 1s3m s TYR 118 Ca -0.03 -0.74 0.00 0.00 -0.52 0.00 0.00 57.07 55.78 1s3m s TYR 118 Cb -0.12 0.32 0.00 0.00 0.38 0.00 0.00 41.96 42.54 1s3m s TYR 118 CO 0.03 -1.13 0.00 0.41 -1.52 0.00 0.00 175.55 173.34 1s3m n GLY 119 N -0.44 3.05 4.87 5.49 0.00 -1.23 -4.21 105.19 112.71 1s3m n GLY 119 Ca -0.02 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1s3m n GLY 119 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1s3m n HIS 120 N 0.00 0.00 0.23 1.61 -0.00 -1.26 -3.77 115.22 112.03 1s3m n HIS 120 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.72 57.82 1s3m n HIS 120 Cb 0.00 0.00 0.54 0.00 -0.00 0.00 0.00 29.99 30.53 1s3m n HIS 120 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.34 178.13 1s3m h THR 121 N 0.00 0.68 -0.67 3.57 1.35 -1.94 -3.47 112.91 112.43 1s3m h THR 121 Ca 0.00 -0.96 -0.29 0.00 -0.55 0.00 0.00 66.41 64.61 1s3m h THR 121 Cb 0.00 1.61 -0.11 0.00 -1.73 0.00 0.00 68.15 67.91 1s3m h THR 121 CO 0.00 0.22 -0.26 1.41 -0.25 0.00 0.00 175.52 176.63 1s3m n HIS 122 N -3.59 0.00 -3.84 4.73 8.25 -1.26 -4.94 115.22 114.57 1s3m n HIS 122 Ca -0.01 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.11 1s3m n HIS 122 Cb 0.36 -2.59 -0.12 0.00 1.12 0.00 0.00 29.99 28.76 1s3m n HIS 122 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1s3m s GLU 123 N -3.16 2.04 0.31 -0.41 2.56 -1.26 -4.14 118.70 114.63 1s3m s GLU 123 Ca 0.00 -2.16 -0.29 0.00 0.00 0.00 0.00 54.97 52.51 1s3m s GLU 123 Cb 0.00 -3.50 -0.10 0.00 2.00 0.00 0.00 34.13 32.53 1s3m s GLU 123 CO 0.00 -1.08 1.43 -0.98 -0.56 0.00 0.00 175.26 174.07 1s3m s ARG 124 N 0.52 4.24 0.13 4.30 1.04 -1.26 -4.68 118.95 123.23 1s3m s ARG 124 Ca 0.13 2.37 -0.11 0.00 -1.04 0.00 0.00 55.73 57.07 1s3m s ARG 124 Cb -0.22 -3.06 0.01 0.00 -2.04 0.00 0.00 34.95 29.64 1s3m s ARG 124 CO -0.04 -0.40 0.29 0.54 -0.04 0.00 0.00 175.30 175.65 1s3m s VAL 125 N -0.60 0.10 -0.38 4.99 0.11 -0.79 -4.94 120.40 118.88 1s3m s VAL 125 Ca 0.55 -1.08 0.07 0.00 -2.93 0.00 0.00 61.98 58.59 1s3m s VAL 125 Cb -0.43 -1.47 0.18 0.00 -1.53 0.00 0.00 36.38 33.13 1s3m s VAL 125 CO 0.51 -0.43 0.57 0.12 -3.33 0.00 0.00 175.10 172.54 1s3m s PHE 126 N -3.88 -1.49 0.20 1.54 5.36 -1.26 -1.22 117.98 117.24 1s3m s PHE 126 Ca 0.08 0.18 0.01 0.00 -0.96 0.00 0.00 56.93 56.25 1s3m s PHE 126 Cb 0.03 0.18 -0.00 0.00 -0.34 0.00 0.00 43.02 42.89 1s3m s PHE 126 CO -0.07 -1.13 0.03 -0.85 -1.46 0.00 0.00 175.22 171.74 1s3m n GLU 127 N 4.55 1.11 -3.86 10.12 0.28 -0.55 -5.01 120.64 127.29 1s3m n GLU 127 Ca 0.10 -1.60 -0.14 0.00 -0.16 0.00 0.00 57.16 55.36 1s3m n GLU 127 Cb 0.54 0.64 -0.15 0.00 1.43 0.00 0.00 31.44 33.91 1s3m n GLU 127 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1s3m s GLU 128 N -2.76 0.06 -0.19 3.44 2.12 -1.26 -1.69 118.70 118.43 1s3m s GLU 128 Ca 0.05 0.07 -0.04 0.00 0.36 0.00 0.00 54.97 55.41 1s3m s GLU 128 Cb 0.00 -0.20 0.09 0.00 0.26 0.00 0.00 34.13 34.29 1s3m s GLU 128 CO 0.03 -0.08 0.28 0.54 -0.54 0.00 0.00 175.26 175.49 1s3m s VAL 129 N 0.57 -0.44 -1.27 3.70 0.11 -0.54 -4.88 120.40 117.66 1s3m s VAL 129 Ca -0.05 0.04 -0.07 0.00 -2.93 0.00 0.00 61.98 58.96 1s3m s VAL 129 Cb -0.07 -0.63 0.01 0.00 -1.53 0.00 0.00 36.38 34.15 1s3m s VAL 129 CO -0.01 -0.07 0.97 0.47 -3.33 0.00 0.00 175.10 173.13 1s3m n ASP 130 N 5.34 -5.93 -1.24 3.54 8.00 -1.26 -2.14 116.55 122.86 1s3m n ASP 130 Ca -0.05 -0.44 -0.16 0.00 0.71 0.00 0.00 54.79 54.85 1s3m n ASP 130 Cb 0.50 -4.59 -0.06 0.00 -0.02 0.00 0.00 41.12 36.94 1s3m n ASP 130 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1s3m n ASP 131 N -2.49 -4.90 -4.60 -2.24 10.43 -1.26 -4.99 116.55 106.51 1s3m n ASP 131 Ca -0.01 0.37 -0.35 0.00 2.57 0.00 0.00 54.79 57.37 1s3m n ASP 131 Cb 0.57 -3.80 -0.10 0.00 1.84 0.00 0.00 41.12 39.62 1s3m n ASP 131 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1s3m s VAL 132 N -2.60 4.71 -0.56 2.53 1.01 -0.91 -4.86 120.40 119.73 1s3m s VAL 132 Ca 0.00 -0.06 -0.21 0.00 0.00 0.00 0.00 61.98 61.71 1s3m s VAL 132 Cb 0.00 -3.14 0.06 0.00 0.00 0.00 0.00 36.38 33.30 1s3m s VAL 132 CO 0.00 0.43 0.80 -0.22 0.00 0.00 0.00 175.10 176.11 1s3m s LEU 133 N 0.65 4.60 -0.29 3.92 1.98 0.10 -1.47 118.68 128.17 1s3m s LEU 133 Ca 0.03 -0.78 -0.15 0.00 -2.89 0.00 0.00 54.13 50.34 1s3m s LEU 133 Cb -0.13 -2.56 -0.03 0.00 0.66 0.00 0.00 46.19 44.13 1s3m s LEU 133 CO 0.02 -1.13 0.38 -0.69 -1.89 0.00 0.00 176.35 173.03 1s3m s VAL 134 N 3.35 5.16 -0.07 1.68 1.01 -0.68 -1.05 120.40 129.81 1s3m s VAL 134 Ca 0.21 0.42 0.05 0.00 0.00 0.00 0.00 61.98 62.66 1s3m s VAL 134 Cb -0.17 -3.75 -0.00 0.00 0.00 0.00 0.00 36.38 32.46 1s3m s VAL 134 CO 0.14 0.07 -0.22 -0.63 0.00 0.00 0.00 175.10 174.46 1s3m s ILE 135 N 2.08 1.83 -0.21 2.22 1.01 0.37 -1.48 121.20 127.02 1s3m s ILE 135 Ca 0.14 -0.92 -0.01 0.00 0.00 0.00 0.00 60.65 59.87 1s3m s ILE 135 Cb -0.16 -1.57 0.06 0.00 0.01 0.00 0.00 42.46 40.79 1s3m s ILE 135 CO 0.11 0.51 -0.02 0.21 0.00 0.00 0.00 174.94 175.75 1s3m s ASN 136 N 0.13 3.42 0.62 3.58 3.84 -0.35 -2.14 114.94 124.03 1s3m s ASN 136 Ca -0.10 -1.00 0.33 0.00 0.21 0.00 0.00 52.86 52.30 1s3m s ASN 136 Cb -0.15 -0.95 1.85 0.00 -0.55 0.00 0.00 41.25 41.45 1s3m s ASN 136 CO 0.05 -0.25 2.14 1.55 -2.79 0.00 0.00 177.10 177.80 1s3m h PRO 137 N 8.07 0.00 0.00 0.43 0.13 -1.81 -2.11 132.00 136.71 1s3m h PRO 137 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1s3m h PRO 137 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1s3m h PRO 137 CO 0.38 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.56 1s3m n GLY 138 N -1.29 -2.06 3.53 1.56 0.00 -1.26 -3.70 105.19 101.96 1s3m n GLY 138 Ca -0.00 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.65 1s3m n GLY 138 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1s3m s GLU 139 N -0.14 3.43 0.39 1.61 -1.05 -1.26 -3.98 118.70 117.69 1s3m s GLU 139 Ca 0.00 -0.43 0.06 0.00 -0.15 0.00 0.00 54.97 54.45 1s3m s GLU 139 Cb 0.00 -3.86 0.78 0.00 -0.44 0.00 0.00 34.13 30.60 1s3m s GLU 139 CO 0.00 -0.69 2.00 0.00 0.95 0.00 0.00 175.26 177.51 1s3m n GLY 142 N -0.03 0.60 0.23 0.00 0.00 -1.00 -4.78 105.19 100.20 1s3m n GLY 142 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 1s3m n GLY 142 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1s3m h TYR 143 N 0.00 -0.48 -0.22 1.61 0.05 -1.92 0.17 116.97 116.18 1s3m h TYR 143 Ca 0.00 -0.01 -0.14 0.00 0.05 0.00 0.00 58.73 58.62 1s3m h TYR 143 Cb 0.00 0.16 0.00 0.00 1.01 0.00 0.00 36.73 37.90 1s3m h TYR 143 CO 0.00 -0.20 -0.43 -0.07 -1.05 0.00 0.00 178.16 176.41 1s3m h LEU 144 N -0.70 0.76 0.00 3.88 -0.00 -1.94 -3.36 115.31 113.94 1s3m h LEU 144 Ca -0.05 -0.55 -0.06 0.00 -0.00 0.00 0.00 57.88 57.22 1s3m h LEU 144 Cb 0.50 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 40.93 1s3m h LEU 144 CO 0.09 1.16 -1.76 0.35 -0.00 0.00 0.00 178.44 178.28 1s3m n THR 145 N -4.20 0.43 -0.96 0.22 -2.24 -1.25 -4.96 114.28 101.33 1s3m n THR 145 Ca -0.06 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 1s3m n THR 145 Cb 0.55 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 1s3m n THR 145 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s3m n GLY 146 N 1.31 0.75 2.93 3.38 0.00 0.61 -4.99 105.19 109.18 1s3m n GLY 146 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 1s3m n GLY 146 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s3m s ILE 147 N -2.94 2.04 -0.03 -0.61 1.09 -1.25 -5.00 121.20 114.49 1s3m s ILE 147 Ca 0.00 -2.43 -0.30 0.00 -1.10 0.00 0.00 60.65 56.82 1s3m s ILE 147 Cb 0.00 -2.49 -0.03 0.00 -1.06 0.00 0.00 42.46 38.88 1s3m s ILE 147 CO 0.00 -0.68 1.13 -2.16 -0.10 0.00 0.00 174.94 173.12 1s3m s PRO 148 N 0.70 4.41 0.18 2.79 0.04 -1.26 -4.59 135.00 137.28 1s3m s PRO 148 Ca 0.13 1.59 -0.01 0.00 0.04 0.00 0.00 61.00 62.75 1s3m s PRO 148 Cb -0.21 -3.50 -0.04 0.00 0.04 0.00 0.00 34.50 30.79 1s3m s PRO 148 CO -0.08 -0.32 0.11 0.95 0.04 0.00 0.00 177.00 177.69 1s3m s THR 149 N 1.77 0.06 0.15 1.26 -4.23 -0.93 -1.16 115.64 112.55 1s3m s THR 149 Ca 0.54 -1.97 -0.02 0.00 -1.18 0.00 0.00 61.69 59.06 1s3m s THR 149 Cb -0.24 -2.37 0.01 0.00 1.34 0.00 0.00 72.50 71.24 1s3m s THR 149 CO 0.23 -0.14 0.23 2.30 -0.54 0.00 0.00 174.62 176.71 1s3m n ILE 150 N -0.23 0.00 -3.85 2.99 -5.35 -1.00 -3.23 119.36 108.69 1s3m n ILE 150 Ca -0.00 -0.63 -0.09 0.00 -0.27 0.00 0.00 62.75 61.76 1s3m n ILE 150 Cb 0.65 0.43 -0.04 0.00 -1.74 0.00 0.00 39.64 38.94 1s3m n ILE 150 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1s3m s GLY 151 N -1.86 0.13 -0.03 3.28 0.00 -0.07 -1.67 107.32 107.08 1s3m s GLY 151 Ca 0.10 -0.47 -0.01 0.00 0.00 0.00 0.00 44.72 44.34 1s3m s GLY 151 CO 0.07 -0.36 0.04 -0.42 0.00 0.00 0.00 173.10 172.44 1s3m s ILE 152 N -3.93 -0.06 -0.22 0.90 1.01 -0.97 -0.90 121.20 117.03 1s3m s ILE 152 Ca 0.14 0.33 -0.08 0.00 0.00 0.00 0.00 60.65 61.04 1s3m s ILE 152 Cb -0.02 -0.15 -0.04 0.00 0.01 0.00 0.00 42.46 42.26 1s3m s ILE 152 CO 0.03 0.15 0.10 -0.22 0.00 0.00 0.00 174.94 175.00 1s3m s LEU 153 N 1.74 3.79 -0.47 2.97 2.96 -0.63 -2.81 118.68 126.23 1s3m s LEU 153 Ca -0.00 -0.00 -0.25 0.00 -0.22 0.00 0.00 54.13 53.65 1s3m s LEU 153 Cb -0.12 -2.00 0.03 0.00 0.50 0.00 0.00 46.19 44.60 1s3m s LEU 153 CO -0.03 0.07 0.93 -0.62 -1.32 0.00 0.00 176.35 175.38 1s3m s ASP 154 N 1.00 6.49 0.22 3.68 -1.08 0.13 -1.61 116.67 125.50 1s3m s ASP 154 Ca 0.05 0.09 -0.07 0.00 -0.52 0.00 0.00 52.55 52.10 1s3m s ASP 154 Cb -0.14 -2.45 0.18 0.00 -1.46 0.00 0.00 42.92 39.05 1s3m s ASP 154 CO 0.03 -1.07 1.82 0.71 0.52 0.00 0.00 175.17 177.18 1s3m h THR 155 N 6.08 1.26 0.16 1.71 1.35 -1.79 0.78 112.91 122.46 1s3m h THR 155 Ca -0.24 -0.72 -0.31 0.00 -0.55 0.00 0.00 66.41 64.59 1s3m h THR 155 Cb 1.07 0.17 0.03 0.00 -1.73 0.00 0.00 68.15 67.69 1s3m h THR 155 CO 1.03 0.31 -1.30 1.05 -0.25 0.00 0.00 175.52 176.36 1s3m h GLU 156 N 1.21 0.57 0.00 4.72 -0.00 -1.88 -3.33 114.58 115.86 1s3m h GLU 156 Ca 0.29 -0.82 0.00 0.00 -0.00 0.00 0.00 59.36 58.83 1s3m h GLU 156 Cb 0.11 0.28 0.00 0.00 -0.00 0.00 0.00 28.75 29.14 1s3m h GLU 156 CO -0.04 1.38 -0.74 1.17 -0.00 0.00 0.00 179.01 180.78 1s3m n LYS 157 N -3.75 0.21 -3.34 1.06 4.81 -1.24 -4.97 118.16 110.94 1s3m n LYS 157 Ca -0.14 0.03 -0.18 0.00 -0.87 0.00 0.00 58.31 57.15 1s3m n LYS 157 Cb 1.02 -1.60 0.06 0.00 0.02 0.00 0.00 35.03 34.53 1s3m n LYS 157 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1s3m n LYS 158 N -1.88 -6.14 -4.54 1.64 4.76 0.25 -5.02 118.16 107.23 1s3m n LYS 158 Ca 0.03 0.64 -0.34 0.00 -2.87 0.00 0.00 58.31 55.77 1s3m n LYS 158 Cb 0.41 -5.10 -0.11 0.00 -1.84 0.00 0.00 35.03 28.38 1s3m n LYS 158 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1s3m s GLU 159 N -6.00 3.10 0.26 1.97 2.02 -1.12 -4.92 118.70 114.01 1s3m s GLU 159 Ca 0.45 -0.53 0.10 0.00 0.02 0.00 0.00 54.97 55.01 1s3m s GLU 159 Cb -0.20 -2.72 -0.05 0.00 0.10 0.00 0.00 34.13 31.26 1s3m s GLU 159 CO 0.56 0.51 -0.16 -0.47 0.02 0.00 0.00 175.26 175.72 1s3m s TYR 160 N -0.39 2.10 -0.28 1.61 5.04 -1.26 0.21 117.35 124.37 1s3m s TYR 160 Ca 0.06 -0.45 -0.16 0.00 -2.44 0.00 0.00 57.07 54.09 1s3m s TYR 160 Cb -0.12 -0.98 0.10 0.00 0.35 0.00 0.00 41.96 41.31 1s3m s TYR 160 CO 0.02 0.57 0.77 -0.98 -1.34 0.00 0.00 175.55 174.58 1s3m s ARG 161 N -3.58 0.61 0.79 4.97 1.04 -1.12 -5.01 118.95 116.66 1s3m s ARG 161 Ca 0.28 1.08 -0.11 0.00 -1.04 0.00 0.00 55.73 55.94 1s3m s ARG 161 Cb -0.02 0.17 0.07 0.00 -2.04 0.00 0.00 34.95 33.12 1s3m s ARG 161 CO 0.12 -0.13 1.09 -1.21 -0.04 0.00 0.00 175.30 175.13 1s3m s GLU 162 N 1.65 2.12 -0.19 3.89 2.02 -1.26 -2.28 118.70 124.64 1s3m s GLU 162 Ca -0.09 0.88 -0.04 0.00 0.02 0.00 0.00 54.97 55.73 1s3m s GLU 162 Cb -0.05 -1.90 0.08 0.00 0.10 0.00 0.00 34.13 32.35 1s3m s GLU 162 CO -0.19 -1.65 0.15 0.42 0.02 0.00 0.00 175.26 174.01 1s3m s ILE 163 N -3.02 -0.18 0.14 -1.63 1.01 -0.67 -4.90 121.20 111.94 1s3m s ILE 163 Ca 0.61 -0.19 -0.30 0.00 0.00 0.00 0.00 60.65 60.77 1s3m s ILE 163 Cb -0.16 -0.64 -0.07 0.00 0.01 0.00 0.00 42.46 41.60 1s3m s ILE 163 CO 0.55 -0.28 1.02 -0.69 0.00 0.00 0.00 174.94 175.54 1s3m s VAL 164 N 2.21 4.23 -2.22 2.92 1.01 -1.26 -2.38 120.40 124.91 1s3m s VAL 164 Ca 0.04 1.87 0.30 0.00 0.00 0.00 0.00 61.98 64.20 1s3m s VAL 164 Cb -0.16 -4.20 0.75 0.00 0.00 0.00 0.00 36.38 32.78 1s3m s VAL 164 CO -0.12 0.30 2.02 0.18 0.00 0.00 0.00 175.10 177.47