#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cmp n SER 5 N 0.00 -0.23 -4.78 8.00 7.64 -1.26 -5.03 113.62 117.96 3cmp n SER 5 Ca 0.00 -1.35 -0.34 0.00 1.01 0.00 0.00 58.87 58.18 3cmp n SER 5 Cb 0.00 -0.86 0.00 0.00 -1.01 0.00 0.00 64.21 62.34 3cmp n SER 5 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3cmp s ASP 6 N -4.95 5.74 0.10 6.43 -0.00 -1.26 -5.06 116.67 117.67 3cmp s ASP 6 Ca 0.63 2.05 0.10 0.00 -0.00 0.00 0.00 52.55 55.33 3cmp s ASP 6 Cb -0.02 -2.57 -0.03 0.00 -0.00 0.00 0.00 42.92 40.30 3cmp s ASP 6 CO 0.45 -1.20 -0.25 -0.76 -0.00 0.00 0.00 175.17 173.42 3cmp s LEU 7 N -4.01 2.27 0.24 1.23 1.43 -1.26 -5.11 118.68 113.46 3cmp s LEU 7 Ca 0.69 -0.68 -0.30 0.00 -1.03 0.00 0.00 54.13 52.82 3cmp s LEU 7 Cb -0.21 -1.12 -0.10 0.00 0.03 0.00 0.00 46.19 44.79 3cmp s LEU 7 CO 0.29 0.16 1.47 -0.63 0.23 0.00 0.00 176.35 177.87 3cmp s ILE 8 N -1.00 2.63 0.35 -0.59 1.01 -1.26 -4.94 121.20 117.39 3cmp s ILE 8 Ca 0.11 0.51 -0.28 0.00 0.00 0.00 0.00 60.65 61.00 3cmp s ILE 8 Cb -0.10 -3.33 -0.10 0.00 0.01 0.00 0.00 42.46 38.94 3cmp s ILE 8 CO 0.04 0.08 1.30 -2.84 0.00 0.00 0.00 174.94 173.52 3cmp s PRO 9 N -0.16 4.25 0.32 2.79 0.02 -1.26 -4.88 135.00 136.07 3cmp s PRO 9 Ca 0.61 2.18 -0.29 0.00 0.02 0.00 0.00 61.00 63.52 3cmp s PRO 9 Cb -0.42 -2.97 -0.11 0.00 0.02 0.00 0.00 34.50 31.01 3cmp s PRO 9 CO 0.42 -0.27 1.57 0.00 -0.33 0.00 0.00 177.00 178.39 3cmp n ALA 10 N 0.59 2.54 -1.58 -1.55 0.00 -1.26 -4.97 120.51 114.29 3cmp n ALA 10 Ca 0.01 0.36 -0.31 0.00 0.00 0.00 0.00 53.44 53.50 3cmp n ALA 10 Cb 0.42 -2.46 0.04 0.00 0.00 0.00 0.00 19.45 17.46 3cmp n ALA 10 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3cmp s PRO 11 N -0.95 3.01 0.37 0.00 0.04 -1.26 -5.00 135.00 131.20 3cmp s PRO 11 Ca 0.61 1.04 -0.27 0.00 0.04 0.00 0.00 61.00 62.41 3cmp s PRO 11 Cb -0.49 -2.00 -0.10 0.00 0.04 0.00 0.00 34.50 31.96 3cmp s PRO 11 CO 0.53 -1.05 1.31 -1.25 0.04 0.00 0.00 177.00 176.58 3cmp s PRO 12 N -4.76 4.17 0.63 0.56 0.04 -1.26 -4.90 135.00 129.47 3cmp s PRO 12 Ca 0.60 2.20 0.37 0.00 0.04 0.00 0.00 61.00 64.21 3cmp s PRO 12 Cb -0.15 -2.92 2.11 0.00 0.04 0.00 0.00 34.50 33.58 3cmp s PRO 12 CO 0.50 -0.34 2.30 -0.07 0.04 0.00 0.00 177.00 179.43 3cmp h LEU 13 N 3.04 0.00 -2.04 -3.56 3.38 -1.94 -0.44 115.31 113.75 3cmp h LEU 13 Ca -0.49 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.55 3cmp h LEU 13 Cb 1.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 3cmp h LEU 13 CO 0.64 0.01 0.18 0.77 0.09 0.00 0.00 178.44 180.13 3cmp h SER 14 N 0.00 0.00 0.05 -0.43 4.64 -2.02 -1.20 113.55 114.58 3cmp h SER 14 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3cmp h SER 14 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3cmp h SER 14 CO 0.00 0.00 -0.02 0.29 -0.87 0.00 0.00 176.83 176.23 3cmp n LYS 15 N -4.37 1.25 -3.89 4.77 5.02 -0.17 -4.66 118.16 116.09 3cmp n LYS 15 Ca 0.03 -0.47 -0.34 0.00 -2.02 0.00 0.00 58.31 55.51 3cmp n LYS 15 Cb 0.34 -1.49 -0.13 0.00 -0.02 0.00 0.00 35.03 33.72 3cmp n LYS 15 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3cmp s VAL 16 N -2.07 2.86 0.87 -0.18 1.01 -0.46 -4.94 120.40 117.49 3cmp s VAL 16 Ca 0.41 -1.96 -0.10 0.00 0.00 0.00 0.00 61.98 60.32 3cmp s VAL 16 Cb 0.21 -2.91 0.12 0.00 0.00 0.00 0.00 36.38 33.80 3cmp s VAL 16 CO 0.37 -0.49 1.12 -2.84 0.00 0.00 0.00 175.10 173.25 3cmp s PRO 17 N 1.09 1.41 -0.16 2.72 0.02 -1.26 -4.96 135.00 133.87 3cmp s PRO 17 Ca 0.05 1.32 0.02 0.00 0.02 0.00 0.00 61.00 62.40 3cmp s PRO 17 Cb -0.21 -1.79 0.01 0.00 0.02 0.00 0.00 34.50 32.53 3cmp s PRO 17 CO -0.05 -2.28 -0.21 -1.17 -0.33 0.00 0.00 177.00 172.96 3cmp s LEU 18 N -6.35 2.14 -0.15 -5.54 2.96 -1.26 -4.19 118.68 106.29 3cmp s LEU 18 Ca 0.64 -0.61 -0.38 0.00 -0.22 0.00 0.00 54.13 53.56 3cmp s LEU 18 Cb -0.20 -1.46 -0.15 0.00 0.50 0.00 0.00 46.19 44.88 3cmp s LEU 18 CO 0.57 0.05 1.71 1.67 -1.32 0.00 0.00 176.35 179.04 3cmp n GLN 19 N 4.27 1.48 -2.89 1.98 -0.06 -0.51 -4.92 117.38 116.74 3cmp n GLN 19 Ca -0.20 0.54 -0.39 0.00 -2.00 0.00 0.00 57.00 54.95 3cmp n GLN 19 Cb 0.51 -2.27 -0.06 0.00 -4.06 0.00 0.00 30.24 24.36 3cmp n GLN 19 CO 0.00 0.00 0.00 1.14 -0.20 0.00 0.00 177.06 178.00 3cmp s GLN 20 N 3.07 4.61 -1.19 3.69 -2.07 -1.26 -3.87 119.66 122.63 3cmp s GLN 20 Ca 0.94 1.25 -0.05 0.00 -1.82 0.00 0.00 55.36 55.68 3cmp s GLN 20 Cb -0.93 -3.11 -0.02 0.00 -1.09 0.00 0.00 33.01 27.86 3cmp s GLN 20 CO 0.57 0.47 0.84 -1.71 -1.32 0.00 0.00 175.29 174.15 3cmp n ASN 21 N 1.22 -3.41 -4.73 12.60 5.15 -1.26 -4.91 115.26 119.91 3cmp n ASN 21 Ca -0.03 -0.77 -0.42 0.00 -0.60 0.00 0.00 54.58 52.77 3cmp n ASN 21 Cb 0.49 -4.53 -0.02 0.00 -0.53 0.00 0.00 39.78 35.19 3cmp n ASN 21 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 3cmp s PHE 22 N -3.49 2.97 -0.42 1.20 2.19 -1.25 -4.98 117.98 114.20 3cmp s PHE 22 Ca 0.19 0.76 -0.05 0.00 0.33 0.00 0.00 56.93 58.15 3cmp s PHE 22 Cb -0.04 -3.94 0.10 0.00 -1.31 0.00 0.00 43.02 37.83 3cmp s PHE 22 CO 0.78 -3.30 0.24 -0.65 1.83 0.00 0.00 175.22 174.12 3cmp s GLN 23 N 0.34 2.24 0.25 10.12 -0.21 -1.26 -4.84 119.66 126.30 3cmp s GLN 23 Ca 0.66 -1.72 -0.06 0.00 0.02 0.00 0.00 55.36 54.26 3cmp s GLN 23 Cb -0.44 -3.68 0.26 0.00 1.00 0.00 0.00 33.01 30.14 3cmp s GLN 23 CO 0.38 -1.06 1.87 0.38 -2.12 0.00 0.00 175.29 174.74 3cmp h ASP 24 N 8.21 1.09 -0.61 5.90 3.04 -1.99 -2.43 116.42 129.63 3cmp h ASP 24 Ca -0.17 -0.09 -0.03 0.00 -3.24 0.00 0.00 57.03 53.50 3cmp h ASP 24 Cb 1.06 -0.28 -0.03 0.00 -1.04 0.00 0.00 39.33 39.04 3cmp h ASP 24 CO 0.74 0.86 0.29 -0.55 -2.04 0.00 0.00 179.24 178.55 3cmp h ASN 25 N 1.22 0.82 1.60 4.15 -1.07 -1.98 -2.63 115.58 117.70 3cmp h ASN 25 Ca 0.31 -0.09 -0.04 0.00 0.07 0.00 0.00 56.30 56.55 3cmp h ASN 25 Cb 0.01 -0.21 -0.01 0.00 -2.07 0.00 0.00 38.32 36.04 3cmp h ASN 25 CO -0.05 0.71 -0.21 1.56 0.07 0.00 0.00 177.43 179.50 3cmp h GLN 26 N 0.91 0.00 0.00 4.14 1.08 -1.90 -3.26 115.11 116.07 3cmp h GLN 26 Ca 0.22 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.42 3cmp h GLN 26 Cb 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 3cmp h GLN 26 CO -0.03 0.21 -0.40 0.35 -0.95 0.00 0.00 178.83 178.01 3cmp h PHE 27 N 0.00 0.00 -4.27 2.96 3.04 -1.08 -3.46 116.94 114.13 3cmp h PHE 27 Ca -0.00 0.00 -0.50 0.00 3.98 0.00 0.00 57.97 61.44 3cmp h PHE 27 Cb 1.07 0.00 0.12 0.00 2.56 0.00 0.00 35.95 39.70 3cmp h PHE 27 CO 0.00 0.00 0.32 1.14 -2.02 0.00 0.00 178.31 177.75 3cmp s GLN 28 N -3.18 2.21 0.00 1.11 -2.07 -1.11 -4.85 119.66 111.77 3cmp s GLN 28 Ca 0.07 0.95 0.00 0.00 -1.82 0.00 0.00 55.36 54.56 3cmp s GLN 28 Cb 0.11 -1.91 0.00 0.00 -1.09 0.00 0.00 33.01 30.12 3cmp s GLN 28 CO 0.69 -1.61 0.00 0.41 -1.32 0.00 0.00 175.29 173.45 3cmp n GLY 29 N -1.56 -0.50 3.77 2.60 0.00 0.15 -4.93 105.19 104.72 3cmp n GLY 29 Ca 0.08 -2.23 -0.40 0.00 0.00 0.00 0.00 46.02 43.47 3cmp n GLY 29 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3cmp s LYS 30 N -0.14 4.55 -0.05 1.61 2.20 -1.26 -1.00 119.74 125.64 3cmp s LYS 30 Ca 0.00 1.13 0.03 0.00 -0.36 0.00 0.00 55.97 56.77 3cmp s LYS 30 Cb 0.00 -3.30 0.01 0.00 -1.51 0.00 0.00 37.83 33.03 3cmp s LYS 30 CO 0.00 0.47 -0.13 -1.58 -0.36 0.00 0.00 175.35 173.75 3cmp s TRP 31 N -0.77 1.45 0.11 4.03 0.52 -0.11 -4.75 118.94 119.42 3cmp s TRP 31 Ca 0.37 -0.48 -0.23 0.00 0.02 0.00 0.00 56.10 55.77 3cmp s TRP 31 Cb -0.22 -1.04 -0.07 0.00 -1.15 0.00 0.00 33.47 30.99 3cmp s TRP 31 CO 0.25 -0.22 0.71 0.71 0.02 0.00 0.00 176.95 178.42 3cmp s TYR 32 N 0.44 3.84 -0.92 -1.98 2.02 0.20 -0.85 117.35 120.11 3cmp s TYR 32 Ca -0.10 1.49 -0.20 0.00 -0.37 0.00 0.00 57.07 57.88 3cmp s TYR 32 Cb -0.14 -2.69 0.10 0.00 -0.40 0.00 0.00 41.96 38.83 3cmp s TYR 32 CO 0.03 0.49 1.19 0.08 -1.57 0.00 0.00 175.55 175.77 3cmp s VAL 33 N -0.91 4.46 -0.90 0.71 1.01 -0.41 -0.01 120.40 124.35 3cmp s VAL 33 Ca 0.34 -1.20 0.24 0.00 0.00 0.00 0.00 61.98 61.36 3cmp s VAL 33 Cb -0.21 -4.84 -0.04 0.00 0.00 0.00 0.00 36.38 31.29 3cmp s VAL 33 CO 0.23 -1.62 1.28 1.33 0.00 0.00 0.00 175.10 176.33 3cmp n VAL 34 N 5.91 0.07 -3.80 2.92 0.24 -0.76 -4.46 118.33 118.45 3cmp n VAL 34 Ca 0.23 -0.07 -0.13 0.00 -2.04 0.00 0.00 64.34 62.33 3cmp n VAL 34 Cb 0.49 0.29 -0.11 0.00 -1.47 0.00 0.00 33.84 33.04 3cmp n VAL 34 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3cmp s GLY 35 N -3.18 -0.15 -0.08 7.63 0.00 -1.04 -4.11 107.32 106.39 3cmp s GLY 35 Ca 0.09 0.56 -0.04 0.00 0.00 0.00 0.00 44.72 45.33 3cmp s GLY 35 CO 0.74 0.46 0.18 -2.27 0.00 0.00 0.00 173.10 172.22 3cmp s LEU 36 N -0.08 0.47 -0.02 0.66 0.20 0.69 -0.26 118.68 120.33 3cmp s LEU 36 Ca -0.02 0.39 -0.06 0.00 0.69 0.00 0.00 54.13 55.13 3cmp s LEU 36 Cb -0.02 0.48 0.01 0.00 -0.43 0.00 0.00 46.19 46.22 3cmp s LEU 36 CO 0.01 -0.17 0.13 0.00 -0.29 0.00 0.00 176.35 176.03 3cmp s ALA 37 N 1.42 -0.31 0.00 5.97 0.00 -0.15 0.53 121.76 129.21 3cmp s ALA 37 Ca -0.07 0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.98 3cmp s ALA 37 Cb -0.11 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 22.96 3cmp s ALA 37 CO -0.07 -0.14 0.00 0.41 0.00 0.00 0.00 175.76 175.96 3cmp n GLY 38 N 2.17 1.16 0.18 0.00 0.00 -0.99 0.89 105.19 108.59 3cmp n GLY 38 Ca -0.18 -0.91 0.14 0.00 0.00 0.00 0.00 46.02 45.07 3cmp n GLY 38 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 3cmp h ASN 39 N 0.00 0.00 -0.27 1.61 -1.07 -1.75 -2.29 115.58 111.81 3cmp h ASN 39 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 3cmp h ASN 39 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 3cmp h ASN 39 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.43 177.50 3cmp n ALA 40 N -1.91 2.97 -3.00 4.14 0.00 -1.26 -4.67 120.51 116.79 3cmp n ALA 40 Ca 0.03 -2.27 -0.33 0.00 0.00 0.00 0.00 53.44 50.87 3cmp n ALA 40 Cb 0.33 -0.71 -0.13 0.00 0.00 0.00 0.00 19.45 18.94 3cmp n ALA 40 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3cmp s ILE 41 N -2.76 3.67 0.01 0.00 -1.09 -0.86 -5.12 121.20 115.04 3cmp s ILE 41 Ca 0.42 -0.44 0.02 0.00 -2.23 0.00 0.00 60.65 58.42 3cmp s ILE 41 Cb 0.33 -2.59 -0.01 0.00 -1.58 0.00 0.00 42.46 38.61 3cmp s ILE 41 CO 0.09 0.50 -0.07 -0.76 -1.23 0.00 0.00 174.94 173.47 3cmp s LEU 42 N 0.38 2.06 0.28 2.97 1.43 -1.26 -4.28 118.68 120.26 3cmp s LEU 42 Ca -0.06 -0.21 -0.29 0.00 -1.03 0.00 0.00 54.13 52.54 3cmp s LEU 42 Cb -0.15 -0.32 -0.10 0.00 0.03 0.00 0.00 46.19 45.65 3cmp s LEU 42 CO 0.04 0.03 1.36 -0.13 0.23 0.00 0.00 176.35 177.88 3cmp s ARG 43 N -0.44 4.32 -0.42 1.70 0.52 -0.56 -4.98 118.95 119.09 3cmp s ARG 43 Ca 0.00 2.23 0.02 0.00 -0.52 0.00 0.00 55.73 57.46 3cmp s ARG 43 Cb -0.04 -3.10 0.13 0.00 0.52 0.00 0.00 34.95 32.46 3cmp s ARG 43 CO -0.00 -0.29 0.22 -1.83 0.02 0.00 0.00 175.30 173.42 3cmp s GLU 44 N -1.04 1.26 0.29 3.54 4.04 -1.26 -5.00 118.70 120.54 3cmp s GLU 44 Ca 0.54 -1.92 0.03 0.00 0.04 0.00 0.00 54.97 53.66 3cmp s GLU 44 Cb -0.40 -2.37 0.63 0.00 0.02 0.00 0.00 34.13 32.01 3cmp s GLU 44 CO 0.47 -1.13 1.81 -0.44 -1.84 0.00 0.00 175.26 174.14 3cmp h ASP 45 N 6.90 0.87 0.50 0.83 3.45 -1.99 -2.08 116.42 124.91 3cmp h ASP 45 Ca -0.03 0.07 -0.02 0.00 0.43 0.00 0.00 57.03 57.47 3cmp h ASP 45 Cb 0.94 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 39.61 3cmp h ASP 45 CO 0.49 0.41 -0.24 0.11 -1.57 0.00 0.00 179.24 178.44 3cmp h LYS 46 N 0.90 -0.65 -2.97 3.56 1.79 -2.04 -3.38 116.57 113.79 3cmp h LYS 46 Ca 0.53 0.04 -0.62 0.00 -2.18 0.00 0.00 60.65 58.43 3cmp h LYS 46 Cb 0.66 0.15 -0.41 0.00 -1.58 0.00 0.00 32.23 31.05 3cmp h LYS 46 CO -0.31 -0.38 -0.69 0.34 -1.08 0.00 0.00 179.45 177.33 3cmp s ASP 47 N -4.68 3.86 0.52 0.86 2.15 -1.08 -5.11 116.67 113.19 3cmp s ASP 47 Ca -0.16 -3.34 -0.22 0.00 0.43 0.00 0.00 52.55 49.26 3cmp s ASP 47 Cb 0.03 -1.28 -0.06 0.00 -0.30 0.00 0.00 42.92 41.31 3cmp s ASP 47 CO 0.59 -0.16 1.28 -2.65 -0.17 0.00 0.00 175.17 174.06 3cmp n PRO 48 N 2.61 1.67 -1.70 4.34 -0.02 -0.80 -4.71 135.00 136.39 3cmp n PRO 48 Ca 0.17 0.61 -0.44 0.00 -2.02 0.00 0.00 63.50 61.82 3cmp n PRO 48 Cb 0.37 -2.47 -0.03 0.00 -0.02 0.00 0.00 33.50 31.35 3cmp n PRO 48 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3cmp n GLN 49 N -0.69 2.42 -3.42 -0.52 -0.06 -1.26 -4.90 117.38 108.95 3cmp n GLN 49 Ca 0.10 0.87 -0.33 0.00 -2.00 0.00 0.00 57.00 55.63 3cmp n GLN 49 Cb 0.43 -2.65 -0.05 0.00 -4.06 0.00 0.00 30.24 23.91 3cmp n GLN 49 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 3cmp s LYS 50 N 0.56 3.86 0.34 3.69 1.02 -1.26 -1.62 119.74 126.32 3cmp s LYS 50 Ca 0.74 0.33 -0.29 0.00 0.02 0.00 0.00 55.97 56.77 3cmp s LYS 50 Cb -0.59 -2.79 -0.11 0.00 -0.52 0.00 0.00 37.83 33.82 3cmp s LYS 50 CO 0.40 0.41 1.41 1.41 -0.92 0.00 0.00 175.35 178.05 3cmp s MET 51 N -2.40 4.23 0.26 1.68 -2.45 -0.06 -4.70 119.30 115.86 3cmp s MET 51 Ca 0.42 2.39 0.03 0.00 -1.25 0.00 0.00 55.69 57.29 3cmp s MET 51 Cb -0.13 -3.03 -0.06 0.00 1.25 0.00 0.00 34.83 32.87 3cmp s MET 51 CO 0.20 -0.38 0.03 1.52 1.05 0.00 0.00 175.02 177.45 3cmp s TYR 52 N -0.98 1.67 0.19 4.11 1.13 -1.26 -4.65 117.35 117.57 3cmp s TYR 52 Ca 0.52 -0.98 0.11 0.00 -1.41 0.00 0.00 57.07 55.31 3cmp s TYR 52 Cb -0.43 -1.01 -0.04 0.00 -1.10 0.00 0.00 41.96 39.37 3cmp s TYR 52 CO 0.56 -0.08 -0.24 0.00 -2.51 0.00 0.00 175.55 173.29 3cmp s ALA 53 N -3.45 2.55 -0.08 9.51 0.00 -0.74 -1.29 121.76 128.26 3cmp s ALA 53 Ca 0.33 -1.64 0.00 0.00 0.00 0.00 0.00 51.96 50.65 3cmp s ALA 53 Cb 0.07 -0.34 0.02 0.00 0.00 0.00 0.00 23.12 22.87 3cmp s ALA 53 CO 0.12 0.43 -0.07 0.99 0.00 0.00 0.00 175.76 177.23 3cmp s THR 54 N -1.68 0.85 -0.23 0.00 2.01 -0.03 -0.35 115.64 116.22 3cmp s THR 54 Ca 0.21 -0.22 -0.08 0.00 0.31 0.00 0.00 61.69 61.91 3cmp s THR 54 Cb -0.08 -0.87 -0.04 0.00 0.01 0.00 0.00 72.50 71.52 3cmp s THR 54 CO 0.10 0.32 0.09 -0.63 -0.69 0.00 0.00 174.62 173.81 3cmp s ILE 55 N 1.42 4.66 -0.28 1.82 1.09 0.11 -0.93 121.20 129.09 3cmp s ILE 55 Ca -0.02 -0.06 -0.09 0.00 -1.10 0.00 0.00 60.65 59.38 3cmp s ILE 55 Cb -0.13 -3.15 -0.03 0.00 -1.06 0.00 0.00 42.46 38.08 3cmp s ILE 55 CO -0.04 0.37 0.14 -0.31 -0.10 0.00 0.00 174.94 175.01 3cmp s TYR 56 N 1.12 3.16 -0.23 3.97 2.02 -0.17 -1.34 117.35 125.89 3cmp s TYR 56 Ca 0.05 -0.20 -0.00 0.00 -0.37 0.00 0.00 57.07 56.54 3cmp s TYR 56 Cb -0.14 -2.33 0.03 0.00 -0.40 0.00 0.00 41.96 39.12 3cmp s TYR 56 CO 0.04 -0.29 -0.11 -1.21 -1.57 0.00 0.00 175.55 172.41 3cmp s GLU 57 N 1.68 2.85 -0.04 -0.62 2.02 -0.95 0.33 118.70 123.96 3cmp s GLU 57 Ca 0.06 -0.95 -0.30 0.00 0.02 0.00 0.00 54.97 53.80 3cmp s GLU 57 Cb -0.16 -2.84 -0.03 0.00 0.10 0.00 0.00 34.13 31.20 3cmp s GLU 57 CO 0.07 -0.35 1.04 -1.17 0.02 0.00 0.00 175.26 174.88 3cmp s LEU 58 N 1.30 4.31 0.33 1.80 2.96 -1.26 -1.46 118.68 126.65 3cmp s LEU 58 Ca 0.01 1.66 0.05 0.00 -0.22 0.00 0.00 54.13 55.64 3cmp s LEU 58 Cb -0.16 -3.56 -0.01 0.00 0.50 0.00 0.00 46.19 42.96 3cmp s LEU 58 CO -0.07 -0.40 0.48 -0.54 -1.32 0.00 0.00 176.35 174.49 3cmp s LYS 59 N 1.58 3.17 0.40 1.98 1.02 -0.74 -4.97 119.74 122.19 3cmp s LYS 59 Ca 0.52 -0.90 0.08 0.00 0.02 0.00 0.00 55.97 55.69 3cmp s LYS 59 Cb -0.21 -2.80 0.86 0.00 -0.52 0.00 0.00 37.83 35.16 3cmp s LYS 59 CO 0.23 0.09 2.01 1.05 -0.92 0.00 0.00 175.35 177.81 3cmp h GLU 60 N 0.88 0.57 -1.13 1.68 4.11 -1.96 0.35 114.58 119.07 3cmp h GLU 60 Ca -0.47 -0.03 0.33 0.00 0.07 0.00 0.00 59.36 59.25 3cmp h GLU 60 Cb 1.25 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 30.33 3cmp h GLU 60 CO 0.55 0.38 0.81 0.22 0.07 0.00 0.00 179.01 181.04 3cmp h ASP 61 N 0.59 0.01 -0.01 3.06 3.58 -2.02 -3.46 116.42 118.17 3cmp h ASP 61 Ca 0.23 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.68 3cmp h ASP 61 Cb 0.17 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.22 3cmp h ASP 61 CO -0.06 0.00 -0.00 0.29 -2.88 0.00 0.00 179.24 176.59 3cmp n LYS 62 N -4.20 -0.18 -3.44 0.28 4.76 0.12 -5.03 118.16 110.48 3cmp n LYS 62 Ca 0.24 0.10 -0.22 0.00 -2.87 0.00 0.00 58.31 55.56 3cmp n LYS 62 Cb 1.19 -3.28 -0.01 0.00 -1.84 0.00 0.00 35.03 31.10 3cmp n LYS 62 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3cmp s SER 63 N -2.10 6.11 -0.05 4.39 1.04 -1.26 -4.52 113.70 117.31 3cmp s SER 63 Ca 0.00 0.17 -0.07 0.00 0.48 0.00 0.00 55.95 56.52 3cmp s SER 63 Cb 0.00 -1.67 -0.04 0.00 0.10 0.00 0.00 66.02 64.40 3cmp s SER 63 CO 0.00 -0.38 0.23 -0.31 0.98 0.00 0.00 173.24 173.76 3cmp s TYR 64 N -2.27 3.60 -0.49 5.02 1.51 -0.19 -1.79 117.35 122.75 3cmp s TYR 64 Ca 0.42 0.59 -0.21 0.00 -1.01 0.00 0.00 57.07 56.85 3cmp s TYR 64 Cb -0.10 -1.99 0.04 0.00 -0.11 0.00 0.00 41.96 39.80 3cmp s TYR 64 CO 0.34 0.67 0.73 -0.80 -1.11 0.00 0.00 175.55 175.38 3cmp s ASN 65 N -1.38 6.31 -0.37 2.29 0.01 -0.54 -1.45 114.94 119.81 3cmp s ASN 65 Ca 0.22 -0.50 -0.13 0.00 -0.71 0.00 0.00 52.86 51.74 3cmp s ASN 65 Cb -0.13 -2.35 0.00 0.00 0.41 0.00 0.00 41.25 39.18 3cmp s ASN 65 CO 0.11 -0.94 0.26 -0.69 -1.51 0.00 0.00 177.10 174.32 3cmp s VAL 66 N 3.10 5.17 -0.23 1.60 1.01 0.71 -2.25 120.40 129.51 3cmp s VAL 66 Ca 0.23 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 61.72 3cmp s VAL 66 Cb -0.15 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.47 3cmp s VAL 66 CO 0.17 -0.15 -0.06 -0.89 0.00 0.00 0.00 175.10 174.17 3cmp s THR 67 N 1.68 3.07 -0.16 3.92 2.01 -0.45 -0.92 115.64 124.78 3cmp s THR 67 Ca 0.05 -0.72 -0.09 0.00 0.31 0.00 0.00 61.69 61.24 3cmp s THR 67 Cb -0.18 -2.44 -0.05 0.00 0.01 0.00 0.00 72.50 69.84 3cmp s THR 67 CO 0.10 0.36 0.14 -0.44 -0.69 0.00 0.00 174.62 174.08 3cmp s SER 68 N 1.41 6.29 -0.22 3.53 0.01 0.03 0.09 113.70 124.85 3cmp s SER 68 Ca 0.04 0.34 0.02 0.00 1.31 0.00 0.00 55.95 57.66 3cmp s SER 68 Cb -0.15 -2.08 0.04 0.00 0.21 0.00 0.00 66.02 64.04 3cmp s SER 68 CO -0.05 0.28 -0.13 -0.69 0.41 0.00 0.00 173.24 173.06 3cmp s VAL 69 N -0.24 1.96 0.11 3.43 1.01 0.53 -0.96 120.40 126.23 3cmp s VAL 69 Ca 0.11 -1.21 0.07 0.00 0.00 0.00 0.00 61.98 60.95 3cmp s VAL 69 Cb -0.11 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 3cmp s VAL 69 CO 0.01 0.21 -0.19 -0.76 0.00 0.00 0.00 175.10 174.37 3cmp s LEU 70 N 1.26 2.32 -0.49 3.92 1.02 -0.59 -1.78 118.68 124.34 3cmp s LEU 70 Ca -0.02 -0.71 -0.19 0.00 0.02 0.00 0.00 54.13 53.23 3cmp s LEU 70 Cb -0.17 -0.78 0.05 0.00 0.02 0.00 0.00 46.19 45.32 3cmp s LEU 70 CO -0.08 0.00 0.59 0.12 0.02 0.00 0.00 176.35 177.00 3cmp s PHE 71 N -1.38 3.08 -0.06 0.29 5.99 -1.26 -0.20 117.98 124.44 3cmp s PHE 71 Ca 0.06 -0.49 -0.01 0.00 0.00 0.00 0.00 56.93 56.49 3cmp s PHE 71 Cb -0.09 -3.41 0.03 0.00 0.00 0.00 0.00 43.02 39.55 3cmp s PHE 71 CO 0.04 -0.96 0.02 0.50 -0.00 0.00 0.00 175.22 174.82 3cmp s ARG 72 N 2.53 0.37 -1.22 10.12 3.52 0.09 -4.86 118.95 129.49 3cmp s ARG 72 Ca 0.15 0.18 -0.02 0.00 -0.13 0.00 0.00 55.73 55.90 3cmp s ARG 72 Cb -0.19 -0.76 -0.01 0.00 -1.56 0.00 0.00 34.95 32.43 3cmp s ARG 72 CO 0.13 -0.28 0.84 1.63 -0.81 0.00 0.00 175.30 176.81 3cmp n LYS 73 N 5.02 -4.83 -1.13 5.12 4.01 -1.26 -2.15 118.16 122.95 3cmp n LYS 73 Ca -0.09 0.72 -0.04 0.00 -0.51 0.00 0.00 58.31 58.39 3cmp n LYS 73 Cb 0.50 -5.43 -0.02 0.00 -0.51 0.00 0.00 35.03 29.57 3cmp n LYS 73 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 3cmp n LYS 74 N -4.06 -1.89 -4.33 1.97 5.02 -1.26 -4.94 118.16 108.66 3cmp n LYS 74 Ca -0.25 0.65 -0.17 0.00 -2.02 0.00 0.00 58.31 56.52 3cmp n LYS 74 Cb 0.66 -5.13 -0.10 0.00 -0.02 0.00 0.00 35.03 30.44 3cmp n LYS 74 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3cmp s LYS 75 N -2.36 1.32 -0.32 1.97 1.02 -0.91 -5.12 119.74 115.32 3cmp s LYS 75 Ca 0.00 -1.64 -0.18 0.00 0.02 0.00 0.00 55.97 54.17 3cmp s LYS 75 Cb 0.00 -0.79 -0.01 0.00 -0.52 0.00 0.00 37.83 36.51 3cmp s LYS 75 CO 0.00 0.00 0.53 0.00 -0.92 0.00 0.00 175.35 174.97 3cmp s ASP 77 N 1.71 6.76 -0.13 0.00 1.11 0.72 -4.95 116.67 121.88 3cmp s ASP 77 Ca 0.20 0.90 0.03 0.00 0.18 0.00 0.00 52.55 53.86 3cmp s ASP 77 Cb -0.15 -2.27 0.00 0.00 1.07 0.00 0.00 42.92 41.57 3cmp s ASP 77 CO 0.12 0.17 -0.21 -0.31 1.18 0.00 0.00 175.17 176.12 3cmp s TYR 78 N -0.28 2.66 -0.31 4.23 2.02 -1.26 -1.55 117.35 122.86 3cmp s TYR 78 Ca 0.25 -1.18 0.00 0.00 -0.37 0.00 0.00 57.07 55.77 3cmp s TYR 78 Cb -0.16 -1.79 0.10 0.00 -0.40 0.00 0.00 41.96 39.70 3cmp s TYR 78 CO 0.12 -0.51 0.08 -0.46 -1.57 0.00 0.00 175.55 173.21 3cmp s TRP 79 N 0.65 2.11 -0.16 2.71 -0.00 -0.13 -4.98 118.94 119.13 3cmp s TRP 79 Ca -0.11 -1.96 -0.05 0.00 -0.00 0.00 0.00 56.10 53.99 3cmp s TRP 79 Cb -0.16 -1.92 -0.03 0.00 -0.00 0.00 0.00 33.47 31.35 3cmp s TRP 79 CO 0.02 -0.88 -0.01 0.42 -0.00 0.00 0.00 176.95 176.50 3cmp s ILE 80 N 1.48 4.17 0.27 5.86 1.01 -1.26 -0.79 121.20 131.94 3cmp s ILE 80 Ca 0.09 -0.26 -0.00 0.00 0.00 0.00 0.00 60.65 60.48 3cmp s ILE 80 Cb -0.18 -2.84 -0.03 0.00 0.01 0.00 0.00 42.46 39.42 3cmp s ILE 80 CO -0.21 0.49 0.27 0.00 0.00 0.00 0.00 174.94 175.49 3cmp s ARG 81 N 0.33 1.51 -0.15 2.79 3.03 -0.10 -5.00 118.95 121.37 3cmp s ARG 81 Ca -0.02 -1.71 -0.01 0.00 2.03 0.00 0.00 55.73 56.02 3cmp s ARG 81 Cb -0.14 0.34 -0.01 0.00 -1.03 0.00 0.00 34.95 34.11 3cmp s ARG 81 CO 0.02 -0.56 -0.12 0.99 -1.13 0.00 0.00 175.30 174.50 3cmp s THR 82 N -3.77 3.02 -0.39 4.99 2.01 -1.26 -0.21 115.64 120.03 3cmp s THR 82 Ca 0.36 -0.66 -0.12 0.00 0.31 0.00 0.00 61.69 61.58 3cmp s THR 82 Cb 0.04 -2.28 0.03 0.00 0.01 0.00 0.00 72.50 70.30 3cmp s THR 82 CO 0.17 0.51 0.25 -0.36 -0.69 0.00 0.00 174.62 174.50 3cmp s PHE 83 N 0.56 3.25 0.01 4.92 2.99 -0.53 0.19 117.98 129.38 3cmp s PHE 83 Ca -0.08 -0.94 -0.19 0.00 0.00 0.00 0.00 56.93 55.72 3cmp s PHE 83 Cb -0.16 -2.57 -0.06 0.00 0.00 0.00 0.00 43.02 40.23 3cmp s PHE 83 CO 0.03 -0.67 0.54 0.08 -0.00 0.00 0.00 175.22 175.20 3cmp s VAL 84 N 1.57 4.91 0.23 -0.44 1.01 0.94 -1.02 120.40 127.59 3cmp s VAL 84 Ca 0.03 1.12 -0.32 0.00 0.00 0.00 0.00 61.98 62.81 3cmp s VAL 84 Cb -0.20 -3.87 -0.13 0.00 0.00 0.00 0.00 36.38 32.18 3cmp s VAL 84 CO 0.07 0.48 1.50 -2.65 0.00 0.00 0.00 175.10 174.51 3cmp n PRO 85 N 2.33 2.23 0.00 2.72 -0.02 -1.26 -0.30 135.00 140.69 3cmp n PRO 85 Ca -0.09 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 3cmp n PRO 85 Cb 0.51 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 3cmp n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cmp n GLY 86 N 2.59 1.09 0.25 -1.23 0.00 0.30 -4.69 105.19 103.51 3cmp n GLY 86 Ca 0.13 -1.84 0.01 0.00 0.00 0.00 0.00 46.02 44.31 3cmp n GLY 86 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3cmp h SER 87 N 0.00 0.34 -4.07 1.61 0.02 -1.94 -3.43 113.55 106.07 3cmp h SER 87 Ca 0.00 -0.07 -0.68 0.00 -0.84 0.00 0.00 61.79 60.20 3cmp h SER 87 Cb 0.00 -0.09 -0.24 0.00 0.14 0.00 0.00 62.40 62.22 3cmp h SER 87 CO 0.00 0.48 -0.87 -1.10 -1.14 0.00 0.00 176.83 174.20 3cmp s GLN 88 N -4.78 1.50 0.15 3.45 -1.52 -1.26 -5.07 119.66 112.14 3cmp s GLN 88 Ca -0.06 -1.24 -0.32 0.00 -1.95 0.00 0.00 55.36 51.79 3cmp s GLN 88 Cb 0.15 -1.87 -0.11 0.00 -0.22 0.00 0.00 33.01 30.96 3cmp s GLN 88 CO 0.75 0.46 1.80 -2.30 -0.25 0.00 0.00 175.29 175.74 3cmp n PRO 89 N 1.24 2.78 0.00 2.91 -0.02 -1.26 -1.32 135.00 139.33 3cmp n PRO 89 Ca -0.18 1.01 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 3cmp n PRO 89 Cb 0.53 -2.89 0.00 0.00 -0.02 0.00 0.00 33.50 31.12 3cmp n PRO 89 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cmp n GLY 90 N 4.14 2.11 3.83 -1.23 0.00 -1.26 -4.56 105.19 108.21 3cmp n GLY 90 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 3cmp n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cmp s GLU 91 N -0.10 4.11 0.01 1.61 2.02 -0.44 -2.22 118.70 123.70 3cmp s GLU 91 Ca 0.00 0.74 -0.03 0.00 0.02 0.00 0.00 54.97 55.70 3cmp s GLU 91 Cb 0.00 -2.68 -0.01 0.00 0.10 0.00 0.00 34.13 31.54 3cmp s GLU 91 CO 0.00 0.29 0.04 -0.06 0.02 0.00 0.00 175.26 175.55 3cmp s PHE 92 N -1.73 0.17 0.27 1.61 0.40 0.19 -0.53 117.98 118.36 3cmp s PHE 92 Ca 0.48 -0.38 0.09 0.00 -0.60 0.00 0.00 56.93 56.52 3cmp s PHE 92 Cb -0.14 -0.13 -0.04 0.00 0.51 0.00 0.00 43.02 43.22 3cmp s PHE 92 CO 0.19 -0.24 0.05 0.95 0.70 0.00 0.00 175.22 176.87 3cmp s THR 93 N -1.49 3.58 -0.05 0.64 -4.23 0.59 -0.82 115.64 113.86 3cmp s THR 93 Ca -0.15 -1.80 -0.27 0.00 -1.18 0.00 0.00 61.69 58.29 3cmp s THR 93 Cb -0.09 -2.96 -0.03 0.00 1.34 0.00 0.00 72.50 70.76 3cmp s THR 93 CO -0.00 -0.35 0.86 -0.22 -0.54 0.00 0.00 174.62 174.37 3cmp s LEU 94 N -3.72 4.33 0.25 4.79 2.96 -1.26 -0.04 118.68 125.99 3cmp s LEU 94 Ca 0.32 1.43 -0.30 0.00 -0.22 0.00 0.00 54.13 55.36 3cmp s LEU 94 Cb -0.06 -3.35 -0.09 0.00 0.50 0.00 0.00 46.19 43.19 3cmp s LEU 94 CO 0.21 -0.22 1.12 -0.83 -1.32 0.00 0.00 176.35 175.31 3cmp s GLY 95 N 0.94 2.98 -1.03 7.98 0.00 0.13 -3.99 107.32 114.33 3cmp s GLY 95 Ca 0.45 0.91 -0.13 0.00 0.00 0.00 0.00 44.72 45.94 3cmp s GLY 95 CO 0.22 1.59 0.78 -2.01 0.00 0.00 0.00 173.10 173.68 3cmp n ASN 96 N 1.53 -5.91 0.18 1.64 5.15 -1.26 -4.62 115.26 111.98 3cmp n ASN 96 Ca 0.00 -0.81 0.04 0.00 -0.60 0.00 0.00 54.58 53.20 3cmp n ASN 96 Cb 0.45 -3.82 0.35 0.00 -0.53 0.00 0.00 39.78 36.23 3cmp n ASN 96 CO 0.00 0.00 0.00 -0.29 1.40 0.00 0.00 177.26 178.37 3cmp h ILE 97 N -1.23 1.13 0.00 -1.44 2.10 -1.95 -3.04 117.51 113.09 3cmp h ILE 97 Ca -0.55 -1.44 0.00 0.00 1.08 0.00 0.00 64.86 63.95 3cmp h ILE 97 Cb 1.30 1.81 0.00 0.00 -1.09 0.00 0.00 36.82 38.84 3cmp h ILE 97 CO 0.43 0.39 0.00 0.11 -1.08 0.00 0.00 178.15 178.00 3cmp h LYS 98 N 0.00 0.00 -0.49 2.19 6.56 -1.91 -1.91 116.57 121.01 3cmp h LYS 98 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 3cmp h LYS 98 Cb 0.78 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.44 3cmp h LYS 98 CO 0.05 0.00 0.00 -1.13 -2.06 0.00 0.00 179.45 176.31 3cmp n SER 99 N -2.71 1.82 -3.98 0.86 3.41 -1.15 -4.65 113.62 107.23 3cmp n SER 99 Ca -0.00 -2.12 -0.31 0.00 -0.26 0.00 0.00 58.87 56.18 3cmp n SER 99 Cb 0.18 -0.32 -0.15 0.00 -0.26 0.00 0.00 64.21 63.65 3cmp n SER 99 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3cmp s TYR 100 N -1.64 3.31 -0.01 7.33 1.51 -0.72 -5.10 117.35 122.04 3cmp s TYR 100 Ca 0.17 -2.64 -0.37 0.00 -1.01 0.00 0.00 57.07 53.22 3cmp s TYR 100 Cb 0.11 -2.52 -0.15 0.00 -0.11 0.00 0.00 41.96 39.28 3cmp s TYR 100 CO 0.09 -0.92 1.56 -2.30 -1.11 0.00 0.00 175.55 172.87 3cmp n PRO 101 N 4.39 1.50 0.00 -1.71 -0.02 -1.26 -1.68 135.00 136.22 3cmp n PRO 101 Ca -0.00 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 3cmp n PRO 101 Cb 0.42 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 3cmp n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cmp n GLY 102 N 3.36 3.08 3.59 -1.23 0.00 -1.26 -4.84 105.19 107.89 3cmp n GLY 102 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 3cmp n GLY 102 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3cmp s LEU 103 N 0.00 3.52 -0.02 0.99 2.96 -0.67 -1.02 118.68 124.43 3cmp s LEU 103 Ca 0.00 0.51 0.20 0.00 -0.22 0.00 0.00 54.13 54.62 3cmp s LEU 103 Cb 0.00 -3.34 -0.28 0.00 0.50 0.00 0.00 46.19 43.07 3cmp s LEU 103 CO 0.00 -1.51 0.58 0.35 -1.32 0.00 0.00 176.35 174.45 3cmp n THR 104 N 6.93 0.00 -3.71 3.68 -2.24 -0.87 -4.78 114.28 113.30 3cmp n THR 104 Ca 0.14 -0.32 -0.14 0.00 -2.27 0.00 0.00 64.05 61.46 3cmp n THR 104 Cb 0.49 0.36 -0.09 0.00 -2.10 0.00 0.00 70.33 68.99 3cmp n THR 104 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3cmp s SER 105 N -3.85 -0.35 -0.27 3.42 0.15 -1.19 -4.99 113.70 106.62 3cmp s SER 105 Ca -0.02 0.45 -0.13 0.00 0.70 0.00 0.00 55.95 56.94 3cmp s SER 105 Cb 0.14 0.54 0.09 0.00 -1.71 0.00 0.00 66.02 65.08 3cmp s SER 105 CO 0.84 -0.38 0.63 -0.47 1.20 0.00 0.00 173.24 175.06 3cmp s TYR 106 N -0.80 -1.08 -0.01 3.44 6.14 -1.26 -1.44 117.35 122.34 3cmp s TYR 106 Ca -0.09 2.06 0.02 0.00 0.64 0.00 0.00 57.07 59.71 3cmp s TYR 106 Cb -0.04 0.63 -0.00 0.00 0.42 0.00 0.00 41.96 42.97 3cmp s TYR 106 CO 0.04 -0.55 -0.06 -1.17 0.64 0.00 0.00 175.55 174.45 3cmp s LEU 107 N 2.02 1.99 -0.03 6.97 2.96 0.16 -4.12 118.68 128.63 3cmp s LEU 107 Ca -0.08 -0.11 0.06 0.00 -0.22 0.00 0.00 54.13 53.78 3cmp s LEU 107 Cb -0.08 -0.32 -0.01 0.00 0.50 0.00 0.00 46.19 46.28 3cmp s LEU 107 CO -0.18 0.07 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.02 3cmp s VAL 108 N -0.11 1.68 -0.09 1.68 1.01 -0.00 -0.61 120.40 123.96 3cmp s VAL 108 Ca 0.02 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 61.07 3cmp s VAL 108 Cb -0.03 -1.40 0.04 0.00 0.00 0.00 0.00 36.38 34.99 3cmp s VAL 108 CO -0.00 0.48 0.11 -0.60 0.00 0.00 0.00 175.10 175.09 3cmp s ARG 109 N -0.37 -0.00 -0.34 2.72 3.52 1.00 -0.64 118.95 124.84 3cmp s ARG 109 Ca 0.05 0.37 -0.29 0.00 -0.13 0.00 0.00 55.73 55.73 3cmp s ARG 109 Cb -0.09 -0.65 0.00 0.00 -1.56 0.00 0.00 34.95 32.65 3cmp s ARG 109 CO 0.00 -0.39 1.42 0.08 -0.81 0.00 0.00 175.30 175.60 3cmp s VAL 110 N 2.22 3.94 -0.08 7.11 1.01 -0.94 0.54 120.40 134.21 3cmp s VAL 110 Ca 0.04 1.02 -0.27 0.00 0.00 0.00 0.00 61.98 62.77 3cmp s VAL 110 Cb -0.13 -4.09 -0.22 0.00 0.00 0.00 0.00 36.38 31.94 3cmp s VAL 110 CO -0.05 -0.57 0.98 0.58 0.00 0.00 0.00 175.10 176.04 3cmp h VAL 111 N 6.25 1.53 -2.10 2.92 2.07 -0.42 -1.35 116.25 125.14 3cmp h VAL 111 Ca -0.28 -1.72 -0.06 0.00 0.82 0.00 0.00 66.70 65.46 3cmp h VAL 111 Cb 1.11 2.68 -0.19 0.00 -1.52 0.00 0.00 31.29 33.37 3cmp h VAL 111 CO 1.05 0.44 0.17 -0.94 0.02 0.00 0.00 177.57 178.31 3cmp s SER 112 N -5.93 -0.63 -0.04 0.57 1.04 -1.07 -2.22 113.70 105.42 3cmp s SER 112 Ca -0.17 0.65 -0.30 0.00 0.48 0.00 0.00 55.95 56.61 3cmp s SER 112 Cb -0.01 0.53 0.08 0.00 0.10 0.00 0.00 66.02 66.73 3cmp s SER 112 CO 0.66 -0.62 0.73 0.28 0.98 0.00 0.00 173.24 175.27 3cmp s THR 113 N -1.34 0.00 -1.34 2.02 -1.32 -1.26 0.10 115.64 112.50 3cmp s THR 113 Ca -0.10 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 60.50 3cmp s THR 113 Cb -0.00 -1.00 0.18 0.00 -1.51 0.00 0.00 72.50 70.16 3cmp s THR 113 CO 0.08 0.00 1.02 -0.46 -2.21 0.00 0.00 174.62 173.05 3cmp n ASN 114 N 0.67 2.34 0.00 8.08 0.23 -1.04 -5.02 115.26 120.52 3cmp n ASN 114 Ca -0.17 -1.67 0.00 0.00 -0.53 0.00 0.00 54.58 52.21 3cmp n ASN 114 Cb 0.58 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 38.20 3cmp n ASN 114 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 3cmp n TYR 115 N 0.66 0.00 -0.08 -2.53 4.01 -1.25 -4.55 117.16 113.41 3cmp n TYR 115 Ca 0.09 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.77 3cmp n TYR 115 Cb 0.35 -0.07 -0.15 0.00 -0.31 0.00 0.00 39.34 39.17 3cmp n TYR 115 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3cmp n ASN 116 N 0.40 0.49 0.02 7.72 5.03 -1.26 -4.86 115.26 122.81 3cmp n ASN 116 Ca 0.00 0.00 -0.01 0.00 0.87 0.00 0.00 54.58 55.44 3cmp n ASN 116 Cb 0.00 1.12 -0.00 0.00 -1.02 0.00 0.00 39.78 39.87 3cmp n ASN 116 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3cmp n GLN 117 N -2.59 0.03 -4.08 3.52 6.02 -1.26 -4.69 117.38 114.33 3cmp n GLN 117 Ca -0.25 0.01 -0.09 0.00 -0.01 0.00 0.00 57.00 56.66 3cmp n GLN 117 Cb 0.99 -0.55 -0.09 0.00 1.02 0.00 0.00 30.24 31.61 3cmp n GLN 117 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 177.06 172.67 3cmp s HIS 118 N -2.04 0.65 -0.11 1.08 -3.43 -1.26 0.05 115.29 110.23 3cmp s HIS 118 Ca -0.02 -1.05 -0.26 0.00 -0.80 0.00 0.00 55.06 52.93 3cmp s HIS 118 Cb 0.00 -0.34 0.06 0.00 -1.43 0.00 0.00 32.58 30.87 3cmp s HIS 118 CO 0.02 -0.54 0.62 0.00 -2.00 0.00 0.00 174.74 172.84 3cmp s ALA 119 N -4.00 -1.57 -0.15 -1.38 0.00 -0.53 -2.51 121.76 111.63 3cmp s ALA 119 Ca 0.18 1.34 0.02 0.00 0.00 0.00 0.00 51.96 53.49 3cmp s ALA 119 Cb 0.06 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.86 3cmp s ALA 119 CO -0.02 -0.33 -0.19 -1.64 0.00 0.00 0.00 175.76 173.58 3cmp s MET 120 N -0.72 3.11 -0.06 0.00 -1.94 0.12 0.10 119.30 119.90 3cmp s MET 120 Ca -0.08 -0.81 0.03 0.00 -1.71 0.00 0.00 55.69 53.13 3cmp s MET 120 Cb -0.02 -2.52 0.00 0.00 2.01 0.00 0.00 34.83 34.31 3cmp s MET 120 CO 0.06 0.00 -0.16 0.08 -0.01 0.00 0.00 175.02 175.00 3cmp s VAL 121 N 0.81 1.39 -0.17 -6.03 1.01 -0.88 0.19 120.40 116.71 3cmp s VAL 121 Ca -0.06 -0.65 -0.10 0.00 0.00 0.00 0.00 61.98 61.16 3cmp s VAL 121 Cb -0.15 -1.22 -0.05 0.00 0.00 0.00 0.00 36.38 34.96 3cmp s VAL 121 CO -0.01 0.41 0.16 0.12 0.00 0.00 0.00 175.10 175.78 3cmp s PHE 122 N 0.36 3.47 0.01 5.22 2.19 0.19 -1.64 117.98 127.79 3cmp s PHE 122 Ca -0.11 0.43 0.07 0.00 0.33 0.00 0.00 56.93 57.65 3cmp s PHE 122 Cb -0.14 -2.13 -0.02 0.00 -1.31 0.00 0.00 43.02 39.41 3cmp s PHE 122 CO 0.04 0.40 -0.21 -0.06 1.83 0.00 0.00 175.22 177.22 3cmp s PHE 123 N -0.01 1.84 -0.03 10.12 0.08 0.10 -0.00 117.98 130.08 3cmp s PHE 123 Ca 0.11 -0.36 -0.01 0.00 0.12 0.00 0.00 56.93 56.79 3cmp s PHE 123 Cb -0.12 -1.14 0.03 0.00 -0.57 0.00 0.00 43.02 41.22 3cmp s PHE 123 CO 0.01 0.03 0.06 0.21 -0.10 0.00 0.00 175.22 175.43 3cmp s LYS 124 N -0.82 -0.01 0.00 0.44 2.20 0.22 -1.23 119.74 120.55 3cmp s LYS 124 Ca 0.08 0.26 0.01 0.00 -0.36 0.00 0.00 55.97 55.97 3cmp s LYS 124 Cb -0.08 -0.26 -0.01 0.00 -1.51 0.00 0.00 37.83 35.97 3cmp s LYS 124 CO 0.00 -0.19 -0.04 0.00 -0.36 0.00 0.00 175.35 174.76 3cmp s ALA 125 N 1.25 0.35 -0.26 3.13 0.00 0.19 0.38 121.76 126.80 3cmp s ALA 125 Ca -0.07 -0.28 -0.01 0.00 0.00 0.00 0.00 51.96 51.60 3cmp s ALA 125 Cb -0.13 -0.05 0.03 0.00 0.00 0.00 0.00 23.12 22.98 3cmp s ALA 125 CO -0.04 0.05 -0.06 0.08 0.00 0.00 0.00 175.76 175.79 3cmp s VAL 126 N -0.35 2.77 -0.22 0.00 1.01 -0.52 0.41 120.40 123.50 3cmp s VAL 126 Ca -0.01 -1.17 -0.03 0.00 0.00 0.00 0.00 61.98 60.78 3cmp s VAL 126 Cb -0.03 -2.46 0.07 0.00 0.00 0.00 0.00 36.38 33.96 3cmp s VAL 126 CO -0.00 0.13 0.05 -0.55 0.00 0.00 0.00 175.10 174.73 3cmp s SER 127 N 1.28 3.15 -1.27 3.32 0.15 -0.41 -2.05 113.70 117.87 3cmp s SER 127 Ca -0.02 -1.00 -0.03 0.00 0.70 0.00 0.00 55.95 55.61 3cmp s SER 127 Cb -0.17 -0.62 -0.01 0.00 -1.71 0.00 0.00 66.02 63.51 3cmp s SER 127 CO -0.04 -0.33 0.72 0.00 1.20 0.00 0.00 173.24 174.78 3cmp n GLN 128 N 5.03 -4.22 -0.99 5.44 6.02 -0.19 -3.73 117.38 124.74 3cmp n GLN 128 Ca -0.08 0.61 -0.01 0.00 -0.01 0.00 0.00 57.00 57.52 3cmp n GLN 128 Cb 0.46 -5.08 -0.00 0.00 1.02 0.00 0.00 30.24 26.63 3cmp n GLN 128 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3cmp n ASN 129 N -3.02 -5.80 -4.61 1.08 5.03 -1.26 -4.90 115.26 101.78 3cmp n ASN 129 Ca -0.26 0.02 -0.37 0.00 0.87 0.00 0.00 54.58 54.85 3cmp n ASN 129 Cb 0.66 -3.46 -0.10 0.00 -1.02 0.00 0.00 39.78 35.86 3cmp n ASN 129 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 3cmp s ARG 130 N -2.01 3.96 -0.57 3.52 0.52 -1.24 -5.06 118.95 118.07 3cmp s ARG 130 Ca 0.00 -0.33 -0.21 0.00 -0.52 0.00 0.00 55.73 54.67 3cmp s ARG 130 Cb 0.00 -3.48 0.06 0.00 0.52 0.00 0.00 34.95 32.05 3cmp s ARG 130 CO 0.00 0.00 0.79 -2.00 0.02 0.00 0.00 175.30 174.11 3cmp s GLU 131 N 1.20 3.16 0.20 3.54 2.12 -1.26 -1.29 118.70 126.37 3cmp s GLU 131 Ca 0.06 -0.80 -0.07 0.00 0.36 0.00 0.00 54.97 54.52 3cmp s GLU 131 Cb -0.14 -4.14 -0.06 0.00 0.26 0.00 0.00 34.13 30.04 3cmp s GLU 131 CO 0.05 -1.47 0.48 0.71 -0.54 0.00 0.00 175.26 174.49 3cmp s TYR 132 N 3.28 3.45 -0.03 5.30 1.51 0.17 -4.62 117.35 126.41 3cmp s TYR 132 Ca 0.20 0.73 -0.16 0.00 -1.01 0.00 0.00 57.07 56.83 3cmp s TYR 132 Cb -0.18 -2.15 0.03 0.00 -0.11 0.00 0.00 41.96 39.55 3cmp s TYR 132 CO 0.12 0.32 0.34 -0.59 -1.11 0.00 0.00 175.55 174.64 3cmp s PHE 133 N -1.78 -0.24 0.07 2.71 -0.71 -1.26 -0.64 117.98 116.12 3cmp s PHE 133 Ca 0.45 0.42 -0.12 0.00 -1.04 0.00 0.00 56.93 56.64 3cmp s PHE 133 Cb -0.11 0.12 0.01 0.00 -1.21 0.00 0.00 43.02 41.83 3cmp s PHE 133 CO 0.23 -0.38 0.26 -1.59 -1.34 0.00 0.00 175.22 172.40 3cmp s LYS 134 N -1.12 0.83 -0.09 1.99 -2.85 -0.36 -2.11 119.74 116.03 3cmp s LYS 134 Ca -0.12 -0.69 0.04 0.00 -1.00 0.00 0.00 55.97 54.21 3cmp s LYS 134 Cb -0.05 0.35 0.00 0.00 -2.06 0.00 0.00 37.83 36.07 3cmp s LYS 134 CO 0.04 -0.27 -0.22 0.42 0.10 0.00 0.00 175.35 175.42 3cmp s ILE 135 N -3.08 1.91 -0.09 3.79 1.09 0.26 -0.72 121.20 124.34 3cmp s ILE 135 Ca -0.01 -0.94 -0.01 0.00 -1.10 0.00 0.00 60.65 58.59 3cmp s ILE 135 Cb 0.01 -1.65 -0.03 0.00 -1.06 0.00 0.00 42.46 39.73 3cmp s ILE 135 CO -0.07 0.53 -0.05 0.42 -0.10 0.00 0.00 174.94 175.67 3cmp s THR 136 N 0.31 3.81 -0.55 2.92 -4.23 -0.65 -0.98 115.64 116.28 3cmp s THR 136 Ca -0.16 -0.42 -0.17 0.00 -1.18 0.00 0.00 61.69 59.75 3cmp s THR 136 Cb -0.17 -2.59 0.10 0.00 1.34 0.00 0.00 72.50 71.18 3cmp s THR 136 CO 0.07 0.57 0.58 -0.22 -0.54 0.00 0.00 174.62 175.09 3cmp s LEU 137 N -0.48 5.62 0.19 4.79 0.20 0.64 -2.07 118.68 127.56 3cmp s LEU 137 Ca 0.07 -1.45 -0.26 0.00 0.69 0.00 0.00 54.13 53.18 3cmp s LEU 137 Cb -0.12 -2.28 -0.08 0.00 -0.43 0.00 0.00 46.19 43.28 3cmp s LEU 137 CO 0.02 -0.93 0.81 -0.31 -0.29 0.00 0.00 176.35 175.65 3cmp s TYR 138 N 2.18 3.90 -0.03 5.38 2.02 0.29 -1.83 117.35 129.27 3cmp s TYR 138 Ca 0.08 1.68 0.04 0.00 -0.37 0.00 0.00 57.07 58.49 3cmp s TYR 138 Cb -0.25 -2.80 -0.00 0.00 -0.40 0.00 0.00 41.96 38.50 3cmp s TYR 138 CO 0.06 0.49 -0.13 0.20 -1.57 0.00 0.00 175.55 174.60 3cmp s GLY 139 N -1.20 0.69 0.31 0.71 0.00 0.99 -1.46 107.32 107.36 3cmp s GLY 139 Ca 0.37 -0.52 0.12 0.00 0.00 0.00 0.00 44.72 44.70 3cmp s GLY 139 CO 0.27 -0.30 1.69 -0.09 0.00 0.00 0.00 173.10 174.67 3cmp h ARG 140 N 6.15 0.00 -5.70 2.90 9.65 -0.66 0.57 114.38 127.29 3cmp h ARG 140 Ca -0.33 0.00 -0.61 0.00 -1.10 0.00 0.00 59.98 57.94 3cmp h ARG 140 Cb 1.17 0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 29.66 3cmp h ARG 140 CO 0.48 0.52 -0.47 0.95 2.80 0.00 0.00 179.97 184.26 3cmp s THR 141 N -3.76 1.83 -0.19 0.20 -4.23 -1.26 -4.74 115.64 103.49 3cmp s THR 141 Ca -0.01 -1.76 0.28 0.00 -1.18 0.00 0.00 61.69 59.02 3cmp s THR 141 Cb 0.13 -2.58 0.36 0.00 1.34 0.00 0.00 72.50 71.75 3cmp s THR 141 CO 0.74 0.00 1.80 0.11 -0.54 0.00 0.00 174.62 176.73 3cmp h LYS 142 N 1.28 0.00 -6.36 3.99 1.57 -1.95 -3.43 116.57 111.68 3cmp h LYS 142 Ca -0.42 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 57.75 3cmp h LYS 142 Cb 1.28 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.47 3cmp h LYS 142 CO 0.69 0.00 -0.67 -1.21 -0.57 0.00 0.00 179.45 177.70 3cmp s GLU 143 N -3.43 2.40 0.07 3.15 2.02 -1.26 -4.85 118.70 116.80 3cmp s GLU 143 Ca 0.04 -1.06 -0.07 0.00 0.02 0.00 0.00 54.97 53.91 3cmp s GLU 143 Cb 0.07 -2.38 -0.01 0.00 0.10 0.00 0.00 34.13 31.91 3cmp s GLU 143 CO 0.60 0.47 0.14 -0.51 0.02 0.00 0.00 175.26 175.98 3cmp s LEU 144 N -2.78 1.65 0.84 1.80 1.43 -1.26 -4.90 118.68 115.46 3cmp s LEU 144 Ca 0.27 -0.67 -0.10 0.00 -1.03 0.00 0.00 54.13 52.59 3cmp s LEU 144 Cb -0.10 0.83 0.10 0.00 0.03 0.00 0.00 46.19 47.05 3cmp s LEU 144 CO 0.18 -0.67 1.11 0.42 0.23 0.00 0.00 176.35 177.62 3cmp s THR 145 N -3.61 2.85 0.29 5.49 -4.23 -1.26 -4.87 115.64 110.30 3cmp s THR 145 Ca 0.03 0.28 -0.02 0.00 -1.18 0.00 0.00 61.69 60.80 3cmp s THR 145 Cb 0.04 -2.61 0.22 0.00 1.34 0.00 0.00 72.50 71.50 3cmp s THR 145 CO -0.09 -0.36 1.92 0.28 -0.54 0.00 0.00 174.62 175.82 3cmp h SER 146 N -1.43 0.88 -0.26 3.99 0.02 -2.02 -2.32 113.55 112.41 3cmp h SER 146 Ca -0.44 -0.07 0.03 0.00 -0.84 0.00 0.00 61.79 60.47 3cmp h SER 146 Cb 1.25 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.53 3cmp h SER 146 CO 0.48 0.71 0.06 -0.08 -1.14 0.00 0.00 176.83 176.86 3cmp h GLU 147 N 0.99 0.16 -0.28 3.45 4.22 -1.99 0.94 114.58 122.06 3cmp h GLU 147 Ca 0.25 -0.01 -0.10 0.00 0.08 0.00 0.00 59.36 59.58 3cmp h GLU 147 Cb 0.03 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3cmp h GLU 147 CO -0.04 0.10 -0.24 -0.07 -2.18 0.00 0.00 179.01 176.58 3cmp h LEU 148 N 0.16 0.54 -0.04 1.64 3.38 -1.89 -1.90 115.31 117.20 3cmp h LEU 148 Ca 0.12 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3cmp h LEU 148 Cb 0.11 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 3cmp h LEU 148 CO -0.15 0.78 -0.01 0.11 0.09 0.00 0.00 178.44 179.25 3cmp h LYS 149 N 0.47 0.08 -0.27 1.13 1.57 -0.97 -1.89 116.57 116.69 3cmp h LYS 149 Ca 0.07 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 3cmp h LYS 149 Cb 0.68 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 3cmp h LYS 149 CO 0.05 0.45 -0.03 0.93 -0.57 0.00 0.00 179.45 180.28 3cmp h GLU 150 N -0.30 0.41 -0.50 3.15 4.39 -0.81 -0.41 114.58 120.51 3cmp h GLU 150 Ca 0.01 -0.08 -0.08 0.00 0.34 0.00 0.00 59.36 59.55 3cmp h GLU 150 Cb 0.42 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 3cmp h GLU 150 CO 0.00 0.46 -0.02 -0.97 -1.16 0.00 0.00 179.01 177.32 3cmp h ASN 151 N 0.39 0.83 -0.46 1.42 -0.73 -1.32 -0.75 115.58 114.97 3cmp h ASN 151 Ca 0.09 -0.22 -0.11 0.00 1.87 0.00 0.00 56.30 57.93 3cmp h ASN 151 Cb 0.31 -0.22 -0.01 0.00 0.27 0.00 0.00 38.32 38.66 3cmp h ASN 151 CO 0.01 0.91 -0.13 0.15 -0.37 0.00 0.00 177.43 178.00 3cmp h PHE 152 N 0.79 1.03 -0.59 0.67 3.04 -0.49 -2.04 116.94 119.36 3cmp h PHE 152 Ca 0.15 -0.23 -0.09 0.00 3.98 0.00 0.00 57.97 61.78 3cmp h PHE 152 Cb 0.51 -0.25 -0.02 0.00 2.56 0.00 0.00 35.95 38.75 3cmp h PHE 152 CO 0.03 1.01 0.02 0.82 -2.02 0.00 0.00 178.31 178.17 3cmp h ILE 153 N 0.75 1.26 -0.42 1.41 2.04 -0.96 -1.04 117.51 120.54 3cmp h ILE 153 Ca 0.12 -1.09 -0.04 0.00 1.00 0.00 0.00 64.86 64.84 3cmp h ILE 153 Cb 0.68 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 3cmp h ILE 153 CO 0.05 0.40 0.12 0.03 0.00 0.00 0.00 178.15 178.74 3cmp h ARG 154 N 0.93 0.67 -0.27 2.37 3.08 -1.06 -1.80 114.38 118.29 3cmp h ARG 154 Ca 0.17 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 3cmp h ARG 154 Cb 0.51 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 3cmp h ARG 154 CO 0.02 0.67 -0.04 0.35 -1.07 0.00 0.00 179.97 179.90 3cmp h PHE 155 N 0.54 0.56 -0.39 3.04 3.57 -1.28 -1.22 116.94 121.77 3cmp h PHE 155 Ca 0.13 -0.11 0.05 0.00 3.53 0.00 0.00 57.97 61.57 3cmp h PHE 155 Cb 0.29 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 38.84 3cmp h PHE 155 CO 0.01 0.70 0.11 0.77 -2.23 0.00 0.00 178.31 177.67 3cmp h SER 156 N 0.27 0.09 0.51 0.41 0.02 -1.17 -2.17 113.55 111.51 3cmp h SER 156 Ca 0.07 0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 61.00 3cmp h SER 156 Cb 0.50 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 3cmp h SER 156 CO 0.02 0.09 -0.34 0.11 -1.14 0.00 0.00 176.83 175.57 3cmp h LYS 157 N 0.26 0.00 0.00 3.45 1.57 -1.25 -2.34 116.57 118.26 3cmp h LYS 157 Ca 0.18 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.93 3cmp h LYS 157 Cb 0.18 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 3cmp h LYS 157 CO -0.21 0.34 -0.14 0.66 -0.57 0.00 0.00 179.45 179.53 3cmp h SER 158 N 0.00 0.00 -0.14 0.86 4.64 -0.60 -2.30 113.55 116.01 3cmp h SER 158 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3cmp h SER 158 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 3cmp h SER 158 CO 0.04 0.14 0.00 0.18 -0.87 0.00 0.00 176.83 176.33 3cmp n LEU 159 N -3.35 1.51 0.00 5.97 4.77 -0.90 -4.93 117.00 120.07 3cmp n LEU 159 Ca -0.00 -0.62 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 3cmp n LEU 159 Cb 0.35 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 3cmp n LEU 159 CO 0.31 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 3cmp n GLY 160 N 1.10 0.85 3.70 -0.72 0.00 -0.86 -4.53 105.19 104.73 3cmp n GLY 160 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 3cmp n GLY 160 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cmp s LEU 161 N 0.00 4.27 0.96 0.99 1.43 -1.08 -5.00 118.68 120.25 3cmp s LEU 161 Ca 0.00 1.13 -0.16 0.00 -1.03 0.00 0.00 54.13 54.07 3cmp s LEU 161 Cb 0.00 -3.07 0.19 0.00 0.03 0.00 0.00 46.19 43.34 3cmp s LEU 161 CO 0.00 -0.18 1.29 -2.16 0.23 0.00 0.00 176.35 175.53 3cmp s PRO 162 N 1.16 0.69 0.29 1.29 0.04 -1.26 -3.94 135.00 133.28 3cmp s PRO 162 Ca 0.36 -0.30 0.04 0.00 0.04 0.00 0.00 61.00 61.14 3cmp s PRO 162 Cb -0.17 -1.84 0.45 0.00 0.04 0.00 0.00 34.50 32.98 3cmp s PRO 162 CO 0.16 -2.40 1.73 1.49 0.04 0.00 0.00 177.00 178.03 3cmp h GLU 163 N -1.63 0.41 0.00 4.56 4.57 -1.97 -2.24 114.58 118.27 3cmp h GLU 163 Ca -0.45 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 57.58 3cmp h GLU 163 Cb 1.25 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 3cmp h GLU 163 CO 0.42 0.65 0.00 0.27 -1.18 0.00 0.00 179.01 179.17 3cmp n ASN 164 N -4.11 0.00 -1.72 1.04 6.94 -1.26 -1.79 115.26 114.36 3cmp n ASN 164 Ca -0.01 0.19 0.09 0.00 -0.02 0.00 0.00 54.58 54.83 3cmp n ASN 164 Cb 0.41 -0.36 0.38 0.00 -2.36 0.00 0.00 39.78 37.85 3cmp n ASN 164 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 3cmp n HIS 165 N -1.36 1.71 -4.00 -2.53 8.25 -0.84 -1.50 115.22 114.95 3cmp n HIS 165 Ca 0.07 -0.65 -0.30 0.00 -0.26 0.00 0.00 57.72 56.58 3cmp n HIS 165 Cb 0.17 -0.33 -0.16 0.00 1.12 0.00 0.00 29.99 30.79 3cmp n HIS 165 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3cmp s ILE 166 N -2.14 1.54 0.07 1.59 1.01 -0.74 -2.35 121.20 120.18 3cmp s ILE 166 Ca 0.53 -0.76 0.08 0.00 0.00 0.00 0.00 60.65 60.50 3cmp s ILE 166 Cb 0.36 -1.54 -0.03 0.00 0.01 0.00 0.00 42.46 41.27 3cmp s ILE 166 CO 0.22 0.32 -0.22 -0.69 0.00 0.00 0.00 174.94 174.58 3cmp s VAL 167 N 1.47 1.76 -0.44 2.92 1.01 0.19 -4.85 120.40 122.45 3cmp s VAL 167 Ca 0.02 -1.38 0.04 0.00 0.00 0.00 0.00 61.98 60.66 3cmp s VAL 167 Cb -0.14 -1.55 0.12 0.00 0.00 0.00 0.00 36.38 34.80 3cmp s VAL 167 CO -0.09 0.11 0.17 -0.36 0.00 0.00 0.00 175.10 174.92 3cmp s PHE 168 N -0.95 3.38 0.22 5.22 0.40 -1.26 -0.23 117.98 124.77 3cmp s PHE 168 Ca 0.08 -3.08 -0.31 0.00 -0.60 0.00 0.00 56.93 53.02 3cmp s PHE 168 Cb -0.09 -2.83 -0.14 0.00 0.51 0.00 0.00 43.02 40.46 3cmp s PHE 168 CO 0.03 -0.83 1.22 -2.30 0.70 0.00 0.00 175.22 174.04 3cmp n PRO 169 N 3.61 1.52 -2.45 0.24 -0.02 -1.26 -4.92 135.00 131.73 3cmp n PRO 169 Ca 0.05 0.54 -0.42 0.00 -2.02 0.00 0.00 63.50 61.64 3cmp n PRO 169 Cb 0.36 -2.07 -0.03 0.00 -0.02 0.00 0.00 33.50 31.75 3cmp n PRO 169 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3cmp s VAL 170 N -0.36 4.18 0.27 -1.45 -7.23 -0.64 -4.50 120.40 110.66 3cmp s VAL 170 Ca 0.68 1.54 -0.31 0.00 -1.81 0.00 0.00 61.98 62.08 3cmp s VAL 170 Cb -0.74 -3.99 -0.12 0.00 0.56 0.00 0.00 36.38 32.08 3cmp s VAL 170 CO 0.53 0.07 1.54 -2.65 -0.31 0.00 0.00 175.10 174.28 3cmp n PRO 171 N 4.47 2.48 -4.30 4.82 -0.02 -1.26 -0.88 135.00 140.31 3cmp n PRO 171 Ca 0.10 0.88 -0.16 0.00 -2.02 0.00 0.00 63.50 62.30 3cmp n PRO 171 Cb 0.47 -2.63 -0.10 0.00 -0.02 0.00 0.00 33.50 31.21 3cmp n PRO 171 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 3cmp s ILE 172 N 0.05 0.82 -0.05 4.25 -4.36 -1.26 -4.89 121.20 115.76 3cmp s ILE 172 Ca 0.66 -2.01 0.16 0.00 -0.26 0.00 0.00 60.65 59.21 3cmp s ILE 172 Cb -0.55 -2.34 -0.25 0.00 1.25 0.00 0.00 42.46 40.57 3cmp s ILE 172 CO 0.48 -0.30 0.31 0.47 0.24 0.00 0.00 174.94 176.13 3cmp n ASP 173 N -0.38 1.15 -4.73 4.36 10.43 -1.26 -4.86 116.55 121.27 3cmp n ASP 173 Ca -0.04 0.00 -0.41 0.00 2.57 0.00 0.00 54.79 56.90 3cmp n ASP 173 Cb 0.64 1.59 -0.04 0.00 1.84 0.00 0.00 41.12 45.15 3cmp n ASP 173 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3cmp s GLN 174 N -3.01 4.65 0.00 -1.24 0.00 -1.26 -4.16 119.66 114.64 3cmp s GLN 174 Ca -0.06 1.50 0.00 0.00 -0.00 0.00 0.00 55.36 56.79 3cmp s GLN 174 Cb 0.10 -3.37 0.00 0.00 0.00 0.00 0.00 33.01 29.73 3cmp s GLN 174 CO 0.69 0.14 0.00 0.00 0.00 0.00 0.00 175.29 176.12 3cmp n ILE 176 N 0.00 0.27 0.08 0.00 -5.35 -1.26 -4.99 119.36 108.11 3cmp n ILE 176 Ca 0.00 -0.38 0.01 0.00 -0.27 0.00 0.00 62.75 62.11 3cmp n ILE 176 Cb 0.00 0.34 0.01 0.00 -1.74 0.00 0.00 39.64 38.24 3cmp n ILE 176 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26