#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a1m s ASN 19 N 0.00 6.63 0.26 1.61 0.01 -1.26 -5.04 114.94 117.15 3a1m s ASN 19 Ca 0.00 1.71 -0.10 0.00 -0.71 0.00 0.00 52.86 53.76 3a1m s ASN 19 Cb 0.00 -2.53 -0.07 0.00 0.41 0.00 0.00 41.25 39.06 3a1m s ASN 19 CO 0.00 -0.58 0.58 -0.83 -1.51 0.00 0.00 177.10 174.76 3a1m s GLY 20 N -2.48 2.21 0.51 0.66 0.00 -1.26 -5.05 107.32 101.92 3a1m s GLY 20 Ca 0.62 -0.27 -0.22 0.00 0.00 0.00 0.00 44.72 44.85 3a1m s GLY 20 CO 0.22 -0.13 1.07 -1.30 0.00 0.00 0.00 173.10 172.96 3a1m n THR 21 N -0.33 3.16 -3.56 0.90 -2.24 -1.26 -4.98 114.28 105.97 3a1m n THR 21 Ca 0.01 -0.50 -0.37 0.00 -2.27 0.00 0.00 64.05 60.92 3a1m n THR 21 Cb 0.53 -1.28 -0.08 0.00 -2.10 0.00 0.00 70.33 67.39 3a1m n THR 21 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3a1m s ILE 22 N -1.37 5.31 -0.12 2.28 1.01 -1.26 -5.07 121.20 121.98 3a1m s ILE 22 Ca 0.69 0.40 0.03 0.00 0.00 0.00 0.00 60.65 61.77 3a1m s ILE 22 Cb -0.47 -3.59 0.01 0.00 0.01 0.00 0.00 42.46 38.42 3a1m s ILE 22 CO 0.52 0.33 -0.21 -0.22 0.00 0.00 0.00 174.94 175.35 3a1m s LEU 23 N 1.01 2.04 -0.33 2.97 2.96 -1.26 -5.09 118.68 120.98 3a1m s LEU 23 Ca 0.12 -0.56 -0.11 0.00 -0.22 0.00 0.00 54.13 53.36 3a1m s LEU 23 Cb -0.14 -1.37 -0.00 0.00 0.50 0.00 0.00 46.19 45.18 3a1m s LEU 23 CO 0.05 0.09 0.19 -0.69 -1.32 0.00 0.00 176.35 174.67 3a1m s VAL 24 N 0.70 4.80 -0.93 1.68 1.01 -1.26 -5.00 120.40 121.40 3a1m s VAL 24 Ca -0.11 -0.43 -0.06 0.00 0.00 0.00 0.00 61.98 61.38 3a1m s VAL 24 Cb -0.16 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 3a1m s VAL 24 CO 0.01 -0.00 2.91 0.29 0.00 0.00 0.00 175.10 178.31 3a1m n LYS 25 N 5.02 3.31 0.00 2.72 5.02 -1.26 -4.77 118.16 128.21 3a1m n LYS 25 Ca -0.13 -2.33 0.00 0.00 -2.02 0.00 0.00 58.31 53.83 3a1m n LYS 25 Cb 0.49 -2.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.06 3a1m n LYS 25 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a1m n GLY 26 N 2.22 -0.39 3.83 0.72 0.00 -1.26 -5.14 105.19 105.17 3a1m n GLY 26 Ca 0.60 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 3a1m n GLY 26 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a1m s ASN 27 N -4.00 5.08 -0.02 1.61 0.01 -1.26 -5.08 114.94 111.28 3a1m s ASN 27 Ca 0.00 1.38 0.03 0.00 -0.71 0.00 0.00 52.86 53.56 3a1m s ASN 27 Cb 0.00 -2.20 -0.00 0.00 0.41 0.00 0.00 41.25 39.46 3a1m s ASN 27 CO 0.00 -1.60 -0.11 0.54 -1.51 0.00 0.00 177.10 174.42 3a1m s VAL 28 N -3.16 0.93 -0.13 1.60 0.11 -1.26 -5.05 120.40 113.44 3a1m s VAL 28 Ca 0.59 -0.46 -0.00 0.00 -2.93 0.00 0.00 61.98 59.18 3a1m s VAL 28 Cb -0.13 -0.81 0.03 0.00 -1.53 0.00 0.00 36.38 33.93 3a1m s VAL 28 CO 0.54 0.28 -0.07 -0.89 -3.33 0.00 0.00 175.10 171.62 3a1m s THR 29 N 0.05 1.08 -0.06 5.04 2.01 -1.26 -5.12 115.64 117.37 3a1m s THR 29 Ca -0.01 -0.38 0.05 0.00 0.31 0.00 0.00 61.69 61.65 3a1m s THR 29 Cb -0.08 -1.13 -0.00 0.00 0.01 0.00 0.00 72.50 71.30 3a1m s THR 29 CO 0.01 0.32 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.42 3a1m s ILE 30 N 1.68 1.73 -0.16 1.82 1.01 -1.26 -5.12 121.20 120.90 3a1m s ILE 30 Ca 0.04 -0.86 0.01 0.00 0.00 0.00 0.00 60.65 59.83 3a1m s ILE 30 Cb -0.13 -1.48 0.02 0.00 0.01 0.00 0.00 42.46 40.87 3a1m s ILE 30 CO -0.08 0.49 -0.17 -0.63 0.00 0.00 0.00 174.94 174.55 3a1m s ILE 31 N 0.11 1.78 -0.29 2.92 1.01 -1.26 -5.11 121.20 120.36 3a1m s ILE 31 Ca -0.08 -0.77 -0.09 0.00 0.00 0.00 0.00 60.65 59.71 3a1m s ILE 31 Cb -0.14 -1.64 -0.02 0.00 0.01 0.00 0.00 42.46 40.67 3a1m s ILE 31 CO 0.04 0.49 0.14 -0.69 0.00 0.00 0.00 174.94 174.93 3a1m s VAL 32 N 1.37 4.61 0.31 2.92 1.01 -1.26 -5.00 120.40 124.36 3a1m s VAL 32 Ca 0.04 -0.31 0.14 0.00 0.00 0.00 0.00 61.98 61.86 3a1m s VAL 32 Cb -0.13 -3.29 0.09 0.00 0.00 0.00 0.00 36.38 33.04 3a1m s VAL 32 CO -0.11 0.14 1.78 -0.33 0.00 0.00 0.00 175.10 176.58 3a1m h GLU 33 N 8.33 0.00 0.00 2.72 5.08 -2.07 -3.45 114.58 125.18 3a1m h GLU 33 Ca -0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 3a1m h GLU 33 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3a1m h GLU 33 CO 0.60 0.41 0.00 0.41 -1.00 0.00 0.00 179.01 179.43 3a1m n GLY 34 N -0.18 3.63 3.84 -3.84 0.00 -1.26 -5.11 105.19 102.26 3a1m n GLY 34 Ca -0.01 -1.76 -0.32 0.00 0.00 0.00 0.00 46.02 43.93 3a1m n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a1m s ASN 35 N 0.07 6.76 -0.14 1.61 0.01 -1.26 -5.08 114.94 116.90 3a1m s ASN 35 Ca 0.00 1.46 -0.00 0.00 -0.71 0.00 0.00 52.86 53.61 3a1m s ASN 35 Cb 0.00 -2.45 -0.01 0.00 0.41 0.00 0.00 41.25 39.19 3a1m s ASN 35 CO 0.00 -0.37 -0.12 0.00 -1.51 0.00 0.00 177.10 175.10 3a1m s ALA 36 N -2.25 2.63 -0.23 0.60 0.00 -1.26 -5.10 121.76 116.16 3a1m s ALA 36 Ca 0.57 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.61 3a1m s ALA 36 Cb -0.10 -1.26 0.06 0.00 0.00 0.00 0.00 23.12 21.82 3a1m s ALA 36 CO 0.21 0.17 -0.03 0.34 0.00 0.00 0.00 175.76 176.45 3a1m s ASP 37 N 0.48 3.68 -0.07 0.00 -1.08 -1.26 -5.11 116.67 113.31 3a1m s ASP 37 Ca -0.09 -1.13 0.05 0.00 -0.52 0.00 0.00 52.55 50.86 3a1m s ASP 37 Cb -0.16 -1.06 -0.01 0.00 -1.46 0.00 0.00 42.92 40.23 3a1m s ASP 37 CO 0.04 -0.26 -0.24 -0.63 0.52 0.00 0.00 175.17 174.61 3a1m s ILE 38 N 1.49 2.12 -0.09 4.11 1.01 -1.26 -5.11 121.20 123.47 3a1m s ILE 38 Ca -0.04 -1.03 0.01 0.00 0.00 0.00 0.00 60.65 59.59 3a1m s ILE 38 Cb -0.18 -1.78 0.02 0.00 0.01 0.00 0.00 42.46 40.52 3a1m s ILE 38 CO -0.07 0.57 -0.12 -0.89 0.00 0.00 0.00 174.94 174.43 3a1m s THR 39 N -0.05 1.21 -0.19 2.92 2.01 -1.26 -5.12 115.64 115.15 3a1m s THR 39 Ca -0.07 -0.48 -0.01 0.00 0.31 0.00 0.00 61.69 61.45 3a1m s THR 39 Cb -0.15 -1.13 0.01 0.00 0.01 0.00 0.00 72.50 71.24 3a1m s THR 39 CO 0.05 0.38 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.53 3a1m s VAL 40 N 1.00 2.58 -0.52 3.82 1.01 -1.26 -5.02 120.40 122.01 3a1m s VAL 40 Ca -0.08 -0.77 0.24 0.00 0.00 0.00 0.00 61.98 61.38 3a1m s VAL 40 Cb -0.15 -2.12 0.17 0.00 0.00 0.00 0.00 36.38 34.28 3a1m s VAL 40 CO -0.01 0.50 1.44 0.11 0.00 0.00 0.00 175.10 177.14 3a1m h LYS 41 N 7.96 0.00 0.00 2.72 1.57 -2.07 -3.45 116.57 123.30 3a1m h LYS 41 Ca -0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 3a1m h LYS 41 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 3a1m h LYS 41 CO 0.62 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.91 3a1m n GLY 42 N 1.23 2.62 3.91 3.86 0.00 -1.26 -5.11 105.19 110.45 3a1m n GLY 42 Ca 0.03 -1.35 -0.27 0.00 0.00 0.00 0.00 46.02 44.43 3a1m n GLY 42 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3a1m s ASP 43 N -0.32 6.40 -0.09 1.61 1.01 -1.26 -5.10 116.67 118.92 3a1m s ASP 43 Ca 0.00 0.64 0.03 0.00 0.71 0.00 0.00 52.55 53.93 3a1m s ASP 43 Cb 0.00 -2.11 0.00 0.00 1.01 0.00 0.00 42.92 41.82 3a1m s ASP 43 CO 0.00 -0.22 -0.20 0.00 0.21 0.00 0.00 175.17 174.97 3a1m s ALA 44 N -2.14 1.83 -0.03 5.23 0.00 -1.26 -5.07 121.76 120.33 3a1m s ALA 44 Ca 0.43 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.64 3a1m s ALA 44 Cb -0.10 -0.72 0.01 0.00 0.00 0.00 0.00 23.12 22.31 3a1m s ALA 44 CO 0.32 0.23 -0.06 0.95 0.00 0.00 0.00 175.76 177.19 3a1m s THR 45 N 0.45 0.58 -0.02 0.00 -4.23 -1.26 -5.14 115.64 106.03 3a1m s THR 45 Ca -0.17 -0.23 0.03 0.00 -1.18 0.00 0.00 61.69 60.14 3a1m s THR 45 Cb -0.17 -0.55 -0.00 0.00 1.34 0.00 0.00 72.50 73.12 3a1m s THR 45 CO 0.07 0.20 -0.10 -0.89 -0.54 0.00 0.00 174.62 173.37 3a1m s THR 46 N 0.39 0.79 -0.07 3.99 2.01 -1.26 -5.13 115.64 116.36 3a1m s THR 46 Ca -0.05 -0.39 0.01 0.00 0.31 0.00 0.00 61.69 61.57 3a1m s THR 46 Cb -0.09 -0.69 0.02 0.00 0.01 0.00 0.00 72.50 71.75 3a1m s THR 46 CO 0.00 0.24 -0.10 -0.22 -0.69 0.00 0.00 174.62 173.85 3a1m s LEU 47 N -0.01 1.46 -0.20 4.42 2.96 -1.26 -5.11 118.68 120.94 3a1m s LEU 47 Ca 0.00 -0.26 0.01 0.00 -0.22 0.00 0.00 54.13 53.66 3a1m s LEU 47 Cb -0.06 -0.75 0.03 0.00 0.50 0.00 0.00 46.19 45.90 3a1m s LEU 47 CO 0.00 -0.02 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.15 3a1m s VAL 48 N 0.98 2.18 0.01 1.68 1.01 -1.26 -5.02 120.40 119.98 3a1m s VAL 48 Ca -0.09 -1.07 0.17 0.00 0.00 0.00 0.00 61.98 60.99 3a1m s VAL 48 Cb -0.15 -2.01 0.10 0.00 0.00 0.00 0.00 36.38 34.33 3a1m s VAL 48 CO 0.00 0.40 1.59 -0.33 0.00 0.00 0.00 175.10 176.77 3a1m h GLU 49 N 7.92 0.00 0.00 2.72 5.08 -2.07 -3.45 114.58 124.78 3a1m h GLU 49 Ca -0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 3a1m h GLU 49 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 3a1m h GLU 49 CO 0.60 0.44 0.00 0.41 -1.00 0.00 0.00 179.01 179.45 3a1m n GLY 50 N 0.73 2.16 3.89 -3.84 0.00 -1.26 -5.10 105.19 101.77 3a1m n GLY 50 Ca 0.01 -1.31 -0.29 0.00 0.00 0.00 0.00 46.02 44.42 3a1m n GLY 50 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a1m s ASN 51 N -0.60 6.49 -0.08 1.61 0.01 -1.26 -5.10 114.94 116.00 3a1m s ASN 51 Ca 0.00 0.85 0.04 0.00 -0.71 0.00 0.00 52.86 53.04 3a1m s ASN 51 Cb 0.00 -2.20 0.00 0.00 0.41 0.00 0.00 41.25 39.46 3a1m s ASN 51 CO 0.00 -0.24 -0.20 -1.58 -1.51 0.00 0.00 177.10 173.57 3a1m s GLN 52 N -3.56 2.54 -0.06 -0.60 0.74 -1.26 -5.07 119.66 112.40 3a1m s GLN 52 Ca 0.46 -0.73 -0.01 0.00 0.05 0.00 0.00 55.36 55.13 3a1m s GLN 52 Cb -0.11 -1.99 0.03 0.00 1.10 0.00 0.00 33.01 32.05 3a1m s GLN 52 CO 0.29 0.16 0.02 0.99 -0.55 0.00 0.00 175.29 176.20 3a1m s THR 53 N 0.37 0.20 -0.14 -0.34 2.01 -1.26 -5.13 115.64 111.35 3a1m s THR 53 Ca -0.15 0.21 0.02 0.00 0.31 0.00 0.00 61.69 62.07 3a1m s THR 53 Cb -0.17 -0.38 0.01 0.00 0.01 0.00 0.00 72.50 71.98 3a1m s THR 53 CO 0.07 0.22 -0.20 0.20 -0.69 0.00 0.00 174.62 174.22 3a1m s ASN 54 N 1.88 2.95 -0.04 3.53 0.01 -1.26 -5.12 114.94 116.88 3a1m s ASN 54 Ca 0.03 -0.57 0.06 0.00 -0.71 0.00 0.00 52.86 51.67 3a1m s ASN 54 Cb -0.12 -1.36 -0.01 0.00 0.41 0.00 0.00 41.25 40.16 3a1m s ASN 54 CO -0.04 0.05 -0.24 -0.89 -1.51 0.00 0.00 177.10 174.47 3a1m s THR 55 N 0.95 1.93 -0.07 1.60 2.01 -1.26 -5.12 115.64 115.68 3a1m s THR 55 Ca -0.05 -1.01 0.00 0.00 0.31 0.00 0.00 61.69 60.94 3a1m s THR 55 Cb -0.15 -1.62 0.02 0.00 0.01 0.00 0.00 72.50 70.76 3a1m s THR 55 CO -0.04 0.54 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.69 3a1m s VAL 56 N -0.28 0.70 -0.51 3.82 1.01 -1.26 -5.03 120.40 118.84 3a1m s VAL 56 Ca 0.01 -0.14 0.24 0.00 0.00 0.00 0.00 61.98 62.09 3a1m s VAL 56 Cb -0.12 -0.74 0.08 0.00 0.00 0.00 0.00 36.38 35.60 3a1m s VAL 56 CO 0.02 0.29 1.31 0.78 0.00 0.00 0.00 175.10 177.50 3a1m h ASN 57 N 7.76 0.00 0.00 3.32 2.35 -2.07 -3.46 115.58 123.48 3a1m h ASN 57 Ca -0.29 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.34 3a1m h ASN 57 Cb 1.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.51 3a1m h ASN 57 CO 0.39 0.06 0.00 0.61 -1.65 0.00 0.00 177.43 176.84 3a1m n GLY 58 N 1.26 0.91 3.75 2.83 0.00 -1.26 -5.11 105.19 107.56 3a1m n GLY 58 Ca 0.03 -0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 3a1m n GLY 58 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a1m s ASN 59 N -0.66 5.27 -0.15 1.61 0.01 -1.26 -5.11 114.94 114.65 3a1m s ASN 59 Ca 0.00 -0.18 -0.01 0.00 -0.71 0.00 0.00 52.86 51.96 3a1m s ASN 59 Cb 0.00 -1.31 -0.01 0.00 0.41 0.00 0.00 41.25 40.34 3a1m s ASN 59 CO 0.00 0.10 -0.11 -0.22 -1.51 0.00 0.00 177.10 175.36 3a1m s LEU 60 N -2.84 2.74 -0.09 0.60 2.96 -1.26 -5.08 118.68 115.71 3a1m s LEU 60 Ca 0.29 -0.35 0.02 0.00 -0.22 0.00 0.00 54.13 53.87 3a1m s LEU 60 Cb -0.10 -1.63 0.02 0.00 0.50 0.00 0.00 46.19 44.97 3a1m s LEU 60 CO 0.21 0.12 -0.12 -0.44 -1.32 0.00 0.00 176.35 174.80 3a1m s SER 61 N 0.60 2.03 -0.10 3.68 0.01 -1.26 -5.13 113.70 113.53 3a1m s SER 61 Ca -0.07 -0.33 0.04 0.00 1.31 0.00 0.00 55.95 56.90 3a1m s SER 61 Cb -0.15 -0.90 0.00 0.00 0.21 0.00 0.00 66.02 65.18 3a1m s SER 61 CO 0.03 -0.00 -0.24 0.26 0.41 0.00 0.00 173.24 173.70 3a1m s TRP 62 N 0.95 2.55 -0.16 2.43 0.52 -1.26 -5.11 118.94 118.87 3a1m s TRP 62 Ca -0.09 -1.07 -0.00 0.00 0.02 0.00 0.00 56.10 54.96 3a1m s TRP 62 Cb -0.15 -1.71 0.04 0.00 -1.15 0.00 0.00 33.47 30.50 3a1m s TRP 62 CO 0.00 -0.43 -0.07 0.15 0.02 0.00 0.00 176.95 176.62 3a1m s LYS 63 N 0.38 1.57 -0.15 4.98 1.02 -1.26 -5.10 119.74 121.19 3a1m s LYS 63 Ca -0.18 -0.49 -0.00 0.00 0.02 0.00 0.00 55.97 55.32 3a1m s LYS 63 Cb -0.18 -1.95 0.04 0.00 -0.52 0.00 0.00 37.83 35.22 3a1m s LYS 63 CO 0.08 -0.38 -0.06 0.08 -0.92 0.00 0.00 175.35 174.15 3a1m s VAL 64 N 1.62 1.12 0.18 3.17 1.01 -1.26 -5.01 120.40 121.23 3a1m s VAL 64 Ca 0.02 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 61.44 3a1m s VAL 64 Cb -0.15 -1.24 -0.11 0.00 0.00 0.00 0.00 36.38 34.88 3a1m s VAL 64 CO -0.08 0.21 1.43 0.00 0.00 0.00 0.00 175.10 176.66 3a1m h ALA 65 N 8.13 0.59 -3.00 5.51 0.00 -2.08 -3.45 119.26 124.96 3a1m h ALA 65 Ca -0.26 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.03 3a1m h ALA 65 Cb 1.12 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3a1m h ALA 65 CO 0.41 0.77 0.00 0.41 0.00 0.00 0.00 179.25 180.84 3a1m n GLY 66 N 0.58 1.65 3.95 0.00 0.00 -1.26 -5.08 105.19 105.03 3a1m n GLY 66 Ca -0.04 -1.59 -0.23 0.00 0.00 0.00 0.00 46.02 44.16 3a1m n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a1m s THR 67 N 3.97 5.15 -0.10 2.61 -4.23 -1.26 -5.11 115.64 116.68 3a1m s THR 67 Ca 0.00 -0.61 0.02 0.00 -1.18 0.00 0.00 61.69 59.92 3a1m s THR 67 Cb 0.00 -3.86 -0.01 0.00 1.34 0.00 0.00 72.50 69.97 3a1m s THR 67 CO 0.00 -0.49 -0.16 -0.69 -0.54 0.00 0.00 174.62 172.74 3a1m s VAL 68 N -2.22 2.79 -0.05 2.29 1.01 -1.26 -5.06 120.40 117.90 3a1m s VAL 68 Ca 0.38 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.60 3a1m s VAL 68 Cb -0.09 -2.12 0.02 0.00 0.00 0.00 0.00 36.38 34.18 3a1m s VAL 68 CO 0.34 0.55 -0.06 -0.62 0.00 0.00 0.00 175.10 175.31 3a1m s ASP 69 N 0.06 1.10 -0.13 3.32 2.15 -1.26 -5.13 116.67 116.78 3a1m s ASP 69 Ca -0.06 -0.16 0.02 0.00 0.43 0.00 0.00 52.55 52.78 3a1m s ASP 69 Cb -0.15 -0.52 0.01 0.00 -0.30 0.00 0.00 42.92 41.96 3a1m s ASP 69 CO 0.05 -0.04 -0.20 0.26 -0.17 0.00 0.00 175.17 175.07 3a1m s TRP 70 N 0.87 2.40 -0.25 -5.34 0.52 -1.26 -5.10 118.94 110.77 3a1m s TRP 70 Ca -0.12 -1.17 0.02 0.00 0.02 0.00 0.00 56.10 54.85 3a1m s TRP 70 Cb -0.15 -1.66 0.06 0.00 -1.15 0.00 0.00 33.47 30.58 3a1m s TRP 70 CO 0.01 -0.55 -0.07 0.34 0.02 0.00 0.00 176.95 176.69 3a1m s ASP 71 N 0.85 4.20 -0.20 2.95 2.15 -1.26 -5.10 116.67 120.26 3a1m s ASP 71 Ca -0.08 -1.34 0.00 0.00 0.43 0.00 0.00 52.55 51.57 3a1m s ASP 71 Cb -0.15 -1.38 0.02 0.00 -0.30 0.00 0.00 42.92 41.11 3a1m s ASP 71 CO -0.01 -0.22 -0.16 -0.69 -0.17 0.00 0.00 175.17 173.92 3a1m s VAL 72 N 1.23 2.31 0.17 1.11 1.01 -1.26 -5.01 120.40 119.96 3a1m s VAL 72 Ca -0.06 -0.95 -0.07 0.00 0.00 0.00 0.00 61.98 60.91 3a1m s VAL 72 Cb -0.19 -2.03 -0.05 0.00 0.00 0.00 0.00 36.38 34.10 3a1m s VAL 72 CO -0.06 0.45 1.49 1.23 0.00 0.00 0.00 175.10 178.21 3a1m h GLY 73 N 7.95 0.79 0.00 4.51 0.00 -2.08 -3.47 103.07 110.78 3a1m h GLY 73 Ca -0.42 -0.87 0.00 0.00 0.00 0.00 0.00 47.33 46.04 3a1m h GLY 73 CO 0.61 0.78 0.00 0.61 0.00 0.00 0.00 176.54 178.55 3a1m n GLY 74 N 0.20 4.46 3.74 4.60 0.00 -1.26 -5.09 105.19 111.84 3a1m n GLY 74 Ca -0.03 -2.04 -0.41 0.00 0.00 0.00 0.00 46.02 43.54 3a1m n GLY 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3a1m s ASP 75 N -0.15 6.60 -0.22 1.61 1.01 -1.26 -5.04 116.67 119.22 3a1m s ASP 75 Ca 0.00 2.71 -0.09 0.00 0.71 0.00 0.00 52.55 55.88 3a1m s ASP 75 Cb 0.00 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.26 3a1m s ASP 75 CO 0.00 -0.75 0.12 0.86 0.21 0.00 0.00 175.17 175.61 3a1m s TRP 76 N 0.12 3.28 -0.05 4.23 -0.11 -1.26 -5.09 118.94 120.06 3a1m s TRP 76 Ca 0.61 0.13 0.03 0.00 1.22 0.00 0.00 56.10 58.08 3a1m s TRP 76 Cb -0.43 -2.19 0.01 0.00 -1.50 0.00 0.00 33.47 29.36 3a1m s TRP 76 CO 0.43 0.08 -0.12 0.99 -4.62 0.00 0.00 176.95 173.70 3a1m s THR 77 N 0.81 1.10 -0.02 5.86 2.01 -1.26 -5.14 115.64 119.01 3a1m s THR 77 Ca 0.06 -0.48 -0.11 0.00 0.31 0.00 0.00 61.69 61.47 3a1m s THR 77 Cb -0.13 -0.99 0.01 0.00 0.01 0.00 0.00 72.50 71.40 3a1m s THR 77 CO 0.02 0.34 0.23 -1.83 -0.69 0.00 0.00 174.62 172.70 3a1m s GLU 78 N 0.49 0.54 -0.01 4.92 -1.05 -1.26 -5.15 118.70 117.18 3a1m s GLU 78 Ca -0.11 -0.20 0.01 0.00 -0.15 0.00 0.00 54.97 54.52 3a1m s GLU 78 Cb -0.14 0.24 0.01 0.00 -0.44 0.00 0.00 34.13 33.80 3a1m s GLU 78 CO 0.03 -0.14 -0.03 0.15 0.95 0.00 0.00 175.26 176.23 3a1m s LYS 79 N -1.15 0.33 0.26 -4.83 1.02 -1.26 -5.16 119.74 108.95 3a1m s LYS 79 Ca -0.12 -0.07 -0.17 0.00 0.02 0.00 0.00 55.97 55.62 3a1m s LYS 79 Cb -0.06 -0.37 0.01 0.00 -0.52 0.00 0.00 37.83 36.90 3a1m s LYS 79 CO 0.03 0.01 0.59 0.00 -0.92 0.00 0.00 175.35 175.06 3a1m s MET 80 N 0.26 1.63 0.07 1.68 0.23 -1.26 -5.06 119.30 116.86 3a1m s MET 80 Ca -0.02 -1.09 -0.07 0.00 -1.03 0.00 0.00 55.69 53.47 3a1m s MET 80 Cb -0.05 0.54 -0.27 0.00 -1.53 0.00 0.00 34.83 33.52 3a1m s MET 80 CO -0.01 -0.71 1.14 0.00 -2.03 0.00 0.00 175.02 173.41 3a1m h ALA 81 N 2.14 0.08 -2.94 3.16 0.00 -2.09 -3.46 119.26 116.14 3a1m h ALA 81 Ca -0.23 -0.84 -0.02 0.00 0.00 0.00 0.00 54.91 53.81 3a1m h ALA 81 Cb 1.25 0.04 -0.12 0.00 0.00 0.00 0.00 17.79 18.97 3a1m h ALA 81 CO 0.30 0.87 0.14 -1.54 0.00 0.00 0.00 179.25 179.03 3a1m s SER 82 N -7.25 -0.48 -0.06 0.00 1.04 -1.26 -5.16 113.70 100.53 3a1m s SER 82 Ca -0.06 -0.10 0.04 0.00 0.48 0.00 0.00 55.95 56.31 3a1m s SER 82 Cb 0.07 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.76 3a1m s SER 82 CO 0.90 -0.96 -0.16 -0.32 0.98 0.00 0.00 173.24 173.68 3a1m s MET 83 N -3.77 1.88 -0.20 4.02 0.00 -1.26 -5.10 119.30 114.87 3a1m s MET 83 Ca 0.02 -0.57 -0.03 0.00 0.00 0.00 0.00 55.69 55.11 3a1m s MET 83 Cb -0.01 -1.57 0.06 0.00 0.00 0.00 0.00 34.83 33.31 3a1m s MET 83 CO -0.12 0.17 0.03 0.45 0.00 0.00 0.00 175.02 175.55 3a1m s SER 84 N 0.25 2.94 -0.28 1.11 0.15 -1.26 -5.11 113.70 111.51 3a1m s SER 84 Ca -0.09 -0.84 0.01 0.00 0.70 0.00 0.00 55.95 55.74 3a1m s SER 84 Cb -0.13 -0.62 0.08 0.00 -1.71 0.00 0.00 66.02 63.64 3a1m s SER 84 CO 0.03 -0.30 0.02 -0.55 1.20 0.00 0.00 173.24 173.64 3a1m s SER 85 N 1.84 4.07 -0.13 5.45 0.15 -1.26 -5.11 113.70 118.71 3a1m s SER 85 Ca -0.01 -1.52 0.00 0.00 0.70 0.00 0.00 55.95 55.12 3a1m s SER 85 Cb -0.17 -1.16 0.02 0.00 -1.71 0.00 0.00 66.02 63.00 3a1m s SER 85 CO -0.08 -0.32 -0.13 -0.63 1.20 0.00 0.00 173.24 173.28 3a1m s ILE 86 N 1.37 1.41 -0.04 6.45 1.01 -1.26 -5.13 121.20 125.00 3a1m s ILE 86 Ca 0.03 -0.54 -0.03 0.00 0.00 0.00 0.00 60.65 60.11 3a1m s ILE 86 Cb -0.18 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 40.92 3a1m s ILE 86 CO -0.12 0.43 0.12 -0.94 0.00 0.00 0.00 174.94 174.43 3a1m s SER 87 N 1.43 6.03 0.25 3.58 1.04 -1.26 -4.99 113.70 119.78 3a1m s SER 87 Ca 0.02 0.29 -0.04 0.00 0.48 0.00 0.00 55.95 56.70 3a1m s SER 87 Cb -0.13 -1.84 0.28 0.00 0.10 0.00 0.00 66.02 64.42 3a1m s SER 87 CO -0.08 0.32 1.80 0.28 0.98 0.00 0.00 173.24 176.54 3a1m h SER 88 N 4.34 0.95 0.00 7.02 0.02 -2.06 -3.45 113.55 120.36 3a1m h SER 88 Ca -0.51 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.29 3a1m h SER 88 Cb 1.20 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.49 3a1m h SER 88 CO 0.62 0.87 0.00 0.61 -1.14 0.00 0.00 176.83 177.80 3a1m n GLY 89 N -0.88 3.45 3.78 -3.77 0.00 -1.26 -5.10 105.19 101.42 3a1m n GLY 89 Ca 0.06 -1.31 -0.36 0.00 0.00 0.00 0.00 46.02 44.40 3a1m n GLY 89 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3a1m s GLN 90 N 4.79 4.03 -0.12 1.61 1.11 -1.26 -5.04 119.66 124.78 3a1m s GLN 90 Ca 0.00 1.51 -0.00 0.00 0.01 0.00 0.00 55.36 56.87 3a1m s GLN 90 Cb 0.00 -2.42 0.02 0.00 -1.01 0.00 0.00 33.01 29.61 3a1m s GLN 90 CO 0.00 -0.26 -0.09 -0.47 0.01 0.00 0.00 175.29 174.48 3a1m s TYR 91 N -1.72 1.63 -0.05 0.91 5.04 -1.26 -4.91 117.35 116.99 3a1m s TYR 91 Ca 0.61 -0.85 0.03 0.00 -2.44 0.00 0.00 57.07 54.41 3a1m s TYR 91 Cb -0.21 -1.31 0.01 0.00 0.35 0.00 0.00 41.96 40.79 3a1m s TYR 91 CO 0.26 -0.55 -0.12 0.99 -1.34 0.00 0.00 175.55 174.79 3a1m s THR 92 N 1.66 1.10 -0.04 4.34 2.01 -1.26 -5.12 115.64 118.33 3a1m s THR 92 Ca 0.05 -0.48 0.04 0.00 0.31 0.00 0.00 61.69 61.61 3a1m s THR 92 Cb -0.13 -0.99 -0.00 0.00 0.01 0.00 0.00 72.50 71.39 3a1m s THR 92 CO -0.09 0.34 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.39 3a1m s ILE 93 N 0.49 1.35 0.10 1.82 1.01 -1.26 -5.14 121.20 119.57 3a1m s ILE 93 Ca -0.11 -0.68 -0.11 0.00 0.00 0.00 0.00 60.65 59.75 3a1m s ILE 93 Cb -0.14 -1.16 0.01 0.00 0.01 0.00 0.00 42.46 41.19 3a1m s ILE 93 CO 0.03 0.39 0.25 -0.62 0.00 0.00 0.00 174.94 174.99 3a1m s ASP 94 N -0.03 0.02 -0.11 3.58 2.15 -1.26 -5.17 116.67 115.85 3a1m s ASP 94 Ca -0.02 -0.56 -0.33 0.00 0.43 0.00 0.00 52.55 52.08 3a1m s ASP 94 Cb -0.10 0.38 0.12 0.00 -0.30 0.00 0.00 42.92 43.02 3a1m s ASP 94 CO 0.01 -0.77 1.13 -0.83 -0.17 0.00 0.00 175.17 174.54 3a1m s GLY 95 N -2.85 -0.35 0.33 2.66 0.00 -1.26 -5.03 107.32 100.82 3a1m s GLY 95 Ca 0.04 1.28 0.15 0.00 0.00 0.00 0.00 44.72 46.19 3a1m s GLY 95 CO -0.11 0.41 1.68 1.48 0.00 0.00 0.00 173.10 176.56 3a1m h SER 96 N 2.00 0.00 -4.71 1.64 4.64 -2.08 -3.43 113.55 111.61 3a1m h SER 96 Ca -0.15 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.99 3a1m h SER 96 Cb 1.19 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.06 3a1m h SER 96 CO 0.26 0.49 -0.68 -0.13 -0.87 0.00 0.00 176.83 175.89 3a1m s ARG 97 N -3.62 0.26 -0.08 4.77 0.52 -1.26 -5.15 118.95 114.38 3a1m s ARG 97 Ca -0.01 -0.45 -0.01 0.00 -0.52 0.00 0.00 55.73 54.75 3a1m s ARG 97 Cb 0.12 0.10 0.03 0.00 0.52 0.00 0.00 34.95 35.71 3a1m s ARG 97 CO 0.72 -0.05 -0.03 0.42 0.02 0.00 0.00 175.30 176.38 3a1m s ILE 98 N -1.13 0.65 -0.16 1.52 1.01 -1.26 -5.11 121.20 116.72 3a1m s ILE 98 Ca -0.12 -0.07 0.01 0.00 0.00 0.00 0.00 60.65 60.47 3a1m s ILE 98 Cb -0.08 -0.74 0.01 0.00 0.01 0.00 0.00 42.46 41.66 3a1m s ILE 98 CO -0.01 0.30 -0.20 -1.81 0.00 0.00 0.00 174.94 173.23 3a1m s ASP 99 N 1.75 3.22 -0.18 3.58 1.11 -1.26 -4.19 116.67 120.70 3a1m s ASP 99 Ca 0.03 -0.60 0.01 0.00 0.18 0.00 0.00 52.55 52.16 3a1m s ASP 99 Cb -0.13 -1.48 0.04 0.00 1.07 0.00 0.00 42.92 42.42 3a1m s ASP 99 CO -0.06 0.04 -0.12 -0.63 1.18 0.00 0.00 175.17 175.59 3a1m s ILE 100 N 1.06 1.61 -1.23 0.77 1.01 0.28 -4.67 121.20 120.03 3a1m s ILE 100 Ca -0.01 -0.87 -0.06 0.00 0.00 0.00 0.00 60.65 59.71 3a1m s ILE 100 Cb -0.14 -1.62 -0.01 0.00 0.01 0.00 0.00 42.46 40.69 3a1m s ILE 100 CO -0.07 0.27 0.74 0.61 0.00 0.00 0.00 174.94 176.50 3a1m n GLY 101 N 4.72 -0.58 4.25 6.18 0.00 -1.26 -2.04 105.19 116.45 3a1m n GLY 101 Ca -0.15 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3a1m n GLY 101 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3a1m n SER 102 N -2.99 0.00 -4.85 1.61 7.64 -1.26 -4.95 113.62 108.82 3a1m n SER 102 Ca -0.22 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.29 3a1m n SER 102 Cb 0.65 -1.56 -0.06 0.00 -1.01 0.00 0.00 64.21 62.23 3a1m n SER 102 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3a1m s VAL 103 N -0.82 5.11 -0.00 0.44 0.11 -0.86 -5.03 120.40 119.34 3a1m s VAL 103 Ca 0.00 0.65 -0.05 0.00 -2.93 0.00 0.00 61.98 59.65 3a1m s VAL 103 Cb 0.00 -3.65 -0.02 0.00 -1.53 0.00 0.00 36.38 31.18 3a1m s VAL 103 CO 0.00 0.50 -0.10 1.21 -3.33 0.00 0.00 175.10 173.38 3a1m n GLU 104 N 1.58 0.15 -2.91 1.54 4.07 -1.26 -0.56 120.64 123.25 3a1m n GLU 104 Ca -0.13 0.06 -0.41 0.00 -0.06 0.00 0.00 57.16 56.62 3a1m n GLU 104 Cb 0.53 -0.69 -0.04 0.00 -0.06 0.00 0.00 31.44 31.17 3a1m n GLU 104 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 3a1m s GLY 105 N -4.02 2.27 0.09 8.31 0.00 -1.26 -4.78 107.32 107.93 3a1m s GLY 105 Ca -0.08 0.09 0.05 0.00 0.00 0.00 0.00 44.72 44.78 3a1m s GLY 105 CO 0.12 1.56 -0.14 -2.52 0.00 0.00 0.00 173.10 172.12 3a1m s TYR 106 N 1.77 1.28 -0.11 1.90 1.13 -1.26 -5.15 117.35 116.92 3a1m s TYR 106 Ca 0.39 -0.51 -0.12 0.00 -1.41 0.00 0.00 57.07 55.41 3a1m s TYR 106 Cb -0.17 -0.70 -0.05 0.00 -1.10 0.00 0.00 41.96 39.94 3a1m s TYR 106 CO 0.15 0.09 0.29 0.96 -2.51 0.00 0.00 175.55 174.52 3a1m s ILE 107 N -1.69 5.28 0.61 -3.49 -4.36 -1.26 -5.10 121.20 111.19 3a1m s ILE 107 Ca 0.03 0.54 -0.12 0.00 -0.26 0.00 0.00 60.65 60.84 3a1m s ILE 107 Cb -0.07 -3.60 -0.04 0.00 1.25 0.00 0.00 42.46 40.00 3a1m s ILE 107 CO 0.02 0.49 1.03 -2.16 0.24 0.00 0.00 174.94 174.57 3a1m s PRO 108 N -0.29 3.54 0.39 0.37 0.04 -1.26 -5.04 135.00 132.74 3a1m s PRO 108 Ca 0.18 0.83 -0.22 0.00 0.04 0.00 0.00 61.00 61.83 3a1m s PRO 108 Cb -0.14 -2.07 -0.16 0.00 0.04 0.00 0.00 34.50 32.17 3a1m s PRO 108 CO 0.06 -0.62 0.13 0.39 0.04 0.00 0.00 177.00 177.01 3a1m n GLU 109 N -2.60 0.02 -2.52 4.56 -0.58 -1.26 -4.99 120.64 113.27 3a1m n GLU 109 Ca 0.06 0.01 -0.25 0.00 -0.42 0.00 0.00 57.16 56.56 3a1m n GLU 109 Cb 0.54 -1.02 0.03 0.00 -0.57 0.00 0.00 31.44 30.42 3a1m n GLU 109 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3a1m s ALA 110 N -1.62 3.44 0.18 0.62 0.00 -1.26 -4.98 121.76 118.14 3a1m s ALA 110 Ca 0.60 -0.86 -0.33 0.00 0.00 0.00 0.00 51.96 51.37 3a1m s ALA 110 Cb -0.66 -2.45 -0.15 0.00 0.00 0.00 0.00 23.12 19.86 3a1m s ALA 110 CO 0.62 -0.76 1.33 -2.30 0.00 0.00 0.00 175.76 174.65 3a1m n PRO 111 N -2.49 1.59 -2.04 0.00 -0.02 -1.26 -4.84 135.00 125.94 3a1m n PRO 111 Ca 0.05 0.57 -0.41 0.00 -2.02 0.00 0.00 63.50 61.68 3a1m n PRO 111 Cb 0.58 -2.18 -0.03 0.00 -0.02 0.00 0.00 33.50 31.86 3a1m n PRO 111 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3a1m s ARG 112 N -0.09 3.04 0.00 -0.52 1.70 -1.26 -4.81 118.95 117.02 3a1m s ARG 112 Ca 0.74 1.04 0.00 0.00 -0.47 0.00 0.00 55.73 57.04 3a1m s ARG 112 Cb -0.77 -4.27 0.00 0.00 -0.57 0.00 0.00 34.95 29.34 3a1m s ARG 112 CO 0.49 -2.22 0.00 -0.25 -1.08 0.00 0.00 175.30 172.24 3a1m n ASP 113 N 11.27 0.44 0.00 -2.89 10.43 -1.26 -5.05 116.55 129.49 3a1m n ASP 113 Ca 0.21 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.57 3a1m n ASP 113 Cb 0.49 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.45 3a1m n ASP 113 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3a1m n GLY 114 N 0.00 1.00 3.75 0.44 0.00 -1.26 -5.09 105.19 104.03 3a1m n GLY 114 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3a1m n GLY 114 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3a1m s GLN 115 N 0.00 4.69 -0.31 1.61 2.00 -1.26 -5.04 119.66 121.35 3a1m s GLN 115 Ca 0.00 1.33 -0.28 0.00 -2.00 0.00 0.00 55.36 54.42 3a1m s GLN 115 Cb 0.00 -3.31 0.01 0.00 0.80 0.00 0.00 33.01 30.51 3a1m s GLN 115 CO 0.00 0.42 1.01 0.00 -0.50 0.00 0.00 175.29 176.21 3a1m s ALA 116 N -0.70 3.53 0.05 1.58 0.00 -1.26 -4.97 121.76 119.99 3a1m s ALA 116 Ca 0.41 -0.11 -0.07 0.00 0.00 0.00 0.00 51.96 52.19 3a1m s ALA 116 Cb -0.24 -3.57 -0.05 0.00 0.00 0.00 0.00 23.12 19.26 3a1m s ALA 116 CO 0.29 -1.37 0.32 0.71 0.00 0.00 0.00 175.76 175.71 3a1m s TYR 117 N 3.44 3.56 0.35 0.00 1.51 -1.26 -2.20 117.35 122.74 3a1m s TYR 117 Ca 0.42 0.62 0.09 0.00 -1.01 0.00 0.00 57.07 57.19 3a1m s TYR 117 Cb -0.13 -2.03 -0.05 0.00 -0.11 0.00 0.00 41.96 39.63 3a1m s TYR 117 CO 0.13 0.56 0.04 0.14 -1.11 0.00 0.00 175.55 175.31 3a1m s VAL 118 N -1.39 2.65 -0.21 0.71 -7.23 -1.03 -4.90 120.40 109.01 3a1m s VAL 118 Ca 0.31 -1.91 -0.10 0.00 -1.81 0.00 0.00 61.98 58.47 3a1m s VAL 118 Cb -0.13 -2.84 -0.05 0.00 0.56 0.00 0.00 36.38 33.92 3a1m s VAL 118 CO 0.18 -0.18 0.15 -0.60 -0.31 0.00 0.00 175.10 174.35 3a1m s ARG 119 N -3.75 4.16 -0.26 4.82 6.06 -1.26 -1.11 118.95 127.61 3a1m s ARG 119 Ca 0.36 -0.21 -0.02 0.00 -2.50 0.00 0.00 55.73 53.36 3a1m s ARG 119 Cb 0.00 -3.45 0.15 0.00 0.06 0.00 0.00 34.95 31.71 3a1m s ARG 119 CO 0.20 0.23 0.44 0.21 -2.50 0.00 0.00 175.30 173.88 3a1m s LYS 120 N 0.56 0.42 -0.87 5.12 2.20 0.14 -4.91 119.74 122.38 3a1m s LYS 120 Ca 0.09 0.64 -0.03 0.00 -0.36 0.00 0.00 55.97 56.31 3a1m s LYS 120 Cb -0.12 -0.17 -0.03 0.00 -1.51 0.00 0.00 37.83 35.99 3a1m s LYS 120 CO 0.00 -0.67 0.75 -0.25 -0.36 0.00 0.00 175.35 174.82 3a1m n ASP 121 N 5.38 -4.22 -0.56 1.43 8.00 -1.26 -1.96 116.55 123.36 3a1m n ASP 121 Ca -0.02 -0.53 -0.07 0.00 0.71 0.00 0.00 54.79 54.87 3a1m n ASP 121 Cb 0.50 -4.19 -0.03 0.00 -0.02 0.00 0.00 41.12 37.38 3a1m n ASP 121 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3a1m n GLY 122 N -1.21 0.66 3.10 0.44 0.00 -1.26 -4.97 105.19 101.95 3a1m n GLY 122 Ca -0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 3a1m n GLY 122 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a1m s GLU 123 N -2.52 0.63 -0.79 1.61 2.02 -0.83 -5.10 118.70 113.72 3a1m s GLU 123 Ca 0.00 -1.11 -0.20 0.00 0.02 0.00 0.00 54.97 53.68 3a1m s GLU 123 Cb 0.00 -0.01 0.11 0.00 0.10 0.00 0.00 34.13 34.32 3a1m s GLU 123 CO 0.00 -0.05 1.01 -1.58 0.02 0.00 0.00 175.26 174.67 3a1m s TRP 124 N -3.11 2.95 0.65 1.61 0.52 -1.26 0.24 118.94 120.55 3a1m s TRP 124 Ca 0.03 -1.04 -0.14 0.00 0.02 0.00 0.00 56.10 54.97 3a1m s TRP 124 Cb 0.02 -4.25 -0.01 0.00 -1.15 0.00 0.00 33.47 28.08 3a1m s TRP 124 CO -0.06 -1.52 1.08 0.08 0.02 0.00 0.00 176.95 176.55 3a1m s VAL 125 N 3.16 3.59 0.16 4.03 1.01 -0.27 -4.89 120.40 127.19 3a1m s VAL 125 Ca 0.26 0.68 -0.28 0.00 0.00 0.00 0.00 61.98 62.64 3a1m s VAL 125 Cb -0.11 -3.23 -0.07 0.00 0.00 0.00 0.00 36.38 32.96 3a1m s VAL 125 CO -0.01 -0.52 0.89 -0.36 0.00 0.00 0.00 175.10 175.10 3a1m s PHE 126 N -2.57 3.89 0.00 5.22 0.08 -1.26 -2.45 117.98 120.89 3a1m s PHE 126 Ca 0.63 1.76 0.00 0.00 0.12 0.00 0.00 56.93 59.45 3a1m s PHE 126 Cb -0.17 -2.93 0.00 0.00 -0.57 0.00 0.00 43.02 39.35 3a1m s PHE 126 CO 0.44 0.38 0.95 -0.11 -0.10 0.00 0.00 175.22 176.78 3a1m n LEU 127 N 2.05 2.66 0.00 -0.37 0.00 -0.93 -4.81 117.00 115.60 3a1m n LEU 127 Ca -0.02 -1.25 0.00 0.00 0.00 0.00 0.00 56.01 54.74 3a1m n LEU 127 Cb 0.48 -0.52 0.00 0.00 0.00 0.00 0.00 43.42 43.39 3a1m n LEU 127 CO 0.49 0.48 0.11 -1.54 0.00 0.00 0.00 177.39 176.93