#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m2p s LEU 1 N 0.00 4.44 -0.30 2.46 1.43 -1.26 -4.94 118.68 120.51 3m2p s LEU 1 Ca 0.00 0.82 -0.09 0.00 -1.03 0.00 0.00 54.13 53.83 3m2p s LEU 1 Cb 0.00 -2.52 -0.01 0.00 0.03 0.00 0.00 46.19 43.69 3m2p s LEU 1 CO 0.00 0.32 0.12 -0.54 0.23 0.00 0.00 176.35 176.48 3m2p s LYS 2 N -1.20 3.32 -0.34 1.70 1.02 -1.26 0.02 119.74 123.00 3m2p s LYS 2 Ca 0.23 -0.72 0.03 0.00 0.02 0.00 0.00 55.97 55.53 3m2p s LYS 2 Cb -0.15 -3.48 0.10 0.00 -0.52 0.00 0.00 37.83 33.77 3m2p s LYS 2 CO 0.12 -0.39 0.05 0.42 -0.92 0.00 0.00 175.35 174.63 3m2p s ILE 3 N 1.58 2.45 0.26 2.17 1.01 -0.66 0.23 121.20 128.25 3m2p s ILE 3 Ca 0.04 -2.19 -0.30 0.00 0.00 0.00 0.00 60.65 58.20 3m2p s ILE 3 Cb -0.17 -2.73 -0.11 0.00 0.01 0.00 0.00 42.46 39.46 3m2p s ILE 3 CO 0.05 -0.53 1.57 0.00 0.00 0.00 0.00 174.94 176.02 3m2p s ALA 4 N 0.97 3.74 -0.28 9.38 0.00 -0.50 -2.19 121.76 132.89 3m2p s ALA 4 Ca 0.08 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.54 3m2p s ALA 4 Cb -0.20 -3.63 0.08 0.00 0.00 0.00 0.00 23.12 19.38 3m2p s ALA 4 CO -0.07 -0.90 0.04 0.08 0.00 0.00 0.00 175.76 174.91 3m2p s VAL 5 N 0.21 1.25 0.40 0.00 1.01 0.58 -1.10 120.40 122.74 3m2p s VAL 5 Ca 0.64 -1.38 -0.25 0.00 0.00 0.00 0.00 61.98 60.99 3m2p s VAL 5 Cb -0.46 -1.78 -0.08 0.00 0.00 0.00 0.00 36.38 34.05 3m2p s VAL 5 CO 0.44 -0.43 1.17 0.42 0.00 0.00 0.00 175.10 176.70 3m2p s THR 6 N 1.47 3.14 -1.96 3.92 -4.23 -1.06 -1.40 115.64 115.51 3m2p s THR 6 Ca 0.04 0.95 0.00 0.00 -1.18 0.00 0.00 61.69 61.49 3m2p s THR 6 Cb -0.18 -3.53 0.00 0.00 1.34 0.00 0.00 72.50 70.13 3m2p s THR 6 CO -0.14 0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 3m2p n GLY 7 N 0.61 0.72 0.00 3.99 0.00 -1.21 -2.41 105.19 106.90 3m2p n GLY 7 Ca 0.04 -0.03 0.03 0.00 0.00 0.00 0.00 46.02 46.07 3m2p n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m2p n GLY 8 N -0.74 -0.68 0.13 -0.02 0.00 -0.89 -1.84 105.19 101.15 3m2p n GLY 8 Ca -0.22 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.55 3m2p n GLY 8 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3m2p h THR 9 N 0.00 1.21 -1.53 2.61 2.02 -1.84 -3.24 112.91 112.13 3m2p h THR 9 Ca 0.00 -2.52 0.00 0.00 0.77 0.00 0.00 66.41 64.66 3m2p h THR 9 Cb 0.11 2.94 0.00 0.00 -1.74 0.00 0.00 68.15 69.45 3m2p h THR 9 CO 0.00 0.75 0.00 0.61 0.37 0.00 0.00 175.52 177.25 3m2p n GLY 10 N 1.73 -2.22 0.00 2.16 0.00 -0.77 -4.44 105.19 101.66 3m2p n GLY 10 Ca -0.20 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.34 3m2p n GLY 10 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3m2p n PHE 11 N -2.34 0.00 -0.36 1.61 7.35 -1.26 -1.60 117.46 120.86 3m2p n PHE 11 Ca 0.00 0.00 0.26 0.00 -0.76 0.00 0.00 57.45 56.95 3m2p n PHE 11 Cb 0.00 0.00 0.53 0.00 0.35 0.00 0.00 39.48 40.36 3m2p n PHE 11 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 3m2p h LEU 12 N 0.00 0.42 -0.12 -2.13 6.46 -1.94 -1.89 115.31 116.11 3m2p h LEU 12 Ca 0.00 0.12 0.04 0.00 -0.12 0.00 0.00 57.88 57.92 3m2p h LEU 12 Cb 0.00 0.06 -0.06 0.00 -0.73 0.00 0.00 40.66 39.93 3m2p h LEU 12 CO 0.00 -0.02 -0.41 1.23 -0.62 0.00 0.00 178.44 178.62 3m2p h GLY 13 N 0.32 -0.69 0.75 3.75 0.00 -1.61 0.17 103.07 105.76 3m2p h GLY 13 Ca 0.68 0.51 0.10 0.00 0.00 0.00 0.00 47.33 48.61 3m2p h GLY 13 CO -0.39 -0.23 0.56 1.46 0.00 0.00 0.00 176.54 177.94 3m2p h GLN 14 N -0.49 0.82 0.01 4.80 4.20 -0.44 0.56 115.11 124.56 3m2p h GLN 14 Ca 0.07 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 3m2p h GLN 14 Cb 0.62 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.22 3m2p h GLN 14 CO -0.39 0.54 -0.00 1.88 -0.67 0.00 0.00 178.83 180.19 3m2p h TYR 15 N 0.84 -0.01 -0.49 2.96 0.05 -1.50 -2.58 116.97 116.23 3m2p h TYR 15 Ca 0.40 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.18 3m2p h TYR 15 Cb 0.42 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.14 3m2p h TYR 15 CO -0.00 0.30 0.31 0.28 -1.05 0.00 0.00 178.16 177.99 3m2p h VAL 16 N -0.32 1.14 -0.95 -2.88 2.07 0.11 -1.46 116.25 113.96 3m2p h VAL 16 Ca -0.00 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.21 3m2p h VAL 16 Cb 0.31 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 3m2p h VAL 16 CO 0.00 0.14 0.60 0.58 0.02 0.00 0.00 177.57 178.91 3m2p h VAL 17 N 0.66 1.26 -0.01 2.57 2.07 0.05 -1.37 116.25 121.47 3m2p h VAL 17 Ca 0.18 -0.52 -0.23 0.00 0.82 0.00 0.00 66.70 66.95 3m2p h VAL 17 Cb -0.03 -0.11 0.01 0.00 -1.52 0.00 0.00 31.29 29.63 3m2p h VAL 17 CO -0.04 0.26 -0.94 1.05 0.02 0.00 0.00 177.57 177.92 3m2p h GLU 18 N 1.31 0.48 -0.26 1.57 4.11 -1.16 -2.84 114.58 117.78 3m2p h GLU 18 Ca 0.35 -0.50 0.06 0.00 0.07 0.00 0.00 59.36 59.34 3m2p h GLU 18 Cb -0.09 0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.23 3m2p h GLU 18 CO -0.07 1.14 -0.19 0.77 0.07 0.00 0.00 179.01 180.73 3m2p h SER 19 N 0.27 -0.63 -0.60 3.06 0.02 -0.93 0.12 113.55 114.86 3m2p h SER 19 Ca -0.08 0.13 0.12 0.00 -0.84 0.00 0.00 61.79 61.11 3m2p h SER 19 Cb 1.58 0.31 -0.09 0.00 0.14 0.00 0.00 62.40 64.34 3m2p h SER 19 CO 0.17 -0.23 0.11 0.40 -1.14 0.00 0.00 176.83 176.14 3m2p h ILE 20 N -0.18 0.62 -0.25 3.27 2.04 -1.20 0.36 117.51 122.17 3m2p h ILE 20 Ca 0.14 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.90 3m2p h ILE 20 Cb 0.40 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 3m2p h ILE 20 CO -0.37 0.04 0.06 0.50 0.00 0.00 0.00 178.15 178.38 3m2p h LYS 21 N 0.24 0.40 -0.56 2.37 3.64 -1.23 -0.79 116.57 120.63 3m2p h LYS 21 Ca 0.32 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.60 3m2p h LYS 21 Cb 0.48 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 3m2p h LYS 21 CO -0.42 0.50 0.35 -0.91 -2.27 0.00 0.00 179.45 176.70 3m2p h ASN 22 N 0.23 0.66 0.41 4.20 2.35 0.45 0.58 115.58 124.45 3m2p h ASN 22 Ca 0.08 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3m2p h ASN 22 Cb 0.29 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.49 3m2p h ASN 22 CO 0.00 0.51 0.00 -0.67 -1.65 0.00 0.00 177.43 175.62 3m2p n ASP 23 N -4.43 0.09 0.00 5.81 2.03 0.12 -4.82 116.55 115.36 3m2p n ASP 23 Ca 0.05 0.53 0.00 0.00 0.52 0.00 0.00 54.79 55.89 3m2p n ASP 23 Cb 0.07 -0.55 0.00 0.00 -0.72 0.00 0.00 41.12 39.92 3m2p n ASP 23 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3m2p n GLY 24 N -0.35 0.51 3.65 0.27 0.00 0.19 -5.09 105.19 104.38 3m2p n GLY 24 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 3m2p n GLY 24 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3m2p n ASN 25 N 0.00 0.74 -4.13 1.61 3.02 -0.32 -4.76 115.26 111.42 3m2p n ASN 25 Ca 0.00 -1.79 -0.35 0.00 -0.03 0.00 0.00 54.58 52.41 3m2p n ASN 25 Cb 0.00 -0.77 -0.13 0.00 -0.61 0.00 0.00 39.78 38.27 3m2p n ASN 25 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3m2p s THR 26 N -3.29 2.95 0.77 3.41 2.01 0.10 -3.76 115.64 117.83 3m2p s THR 26 Ca 0.66 -1.70 -0.13 0.00 0.31 0.00 0.00 61.69 60.84 3m2p s THR 26 Cb -0.03 -2.84 0.06 0.00 0.01 0.00 0.00 72.50 69.71 3m2p s THR 26 CO 0.45 -0.32 1.16 -2.84 -0.69 0.00 0.00 174.62 172.38 3m2p s PRO 27 N 1.17 1.95 -0.33 4.92 0.02 -1.26 -1.65 135.00 139.82 3m2p s PRO 27 Ca 0.00 1.56 0.04 0.00 0.02 0.00 0.00 61.00 62.63 3m2p s PRO 27 Cb -0.21 -1.83 0.17 0.00 0.02 0.00 0.00 34.50 32.65 3m2p s PRO 27 CO -0.03 -1.94 0.47 0.42 -0.33 0.00 0.00 177.00 175.60 3m2p s ILE 28 N -2.35 -0.69 -0.22 2.83 1.01 -0.93 -4.40 121.20 116.45 3m2p s ILE 28 Ca 0.69 -0.35 -0.29 0.00 0.00 0.00 0.00 60.65 60.70 3m2p s ILE 28 Cb -0.24 -0.72 -0.01 0.00 0.01 0.00 0.00 42.46 41.50 3m2p s ILE 28 CO 0.50 -0.25 1.26 -0.63 0.00 0.00 0.00 174.94 175.82 3m2p s ILE 29 N 2.19 4.25 0.13 2.92 1.09 -0.92 -0.31 121.20 130.56 3m2p s ILE 29 Ca 0.13 1.48 -0.18 0.00 -1.10 0.00 0.00 60.65 60.97 3m2p s ILE 29 Cb -0.11 -4.08 -0.07 0.00 -1.06 0.00 0.00 42.46 37.14 3m2p s ILE 29 CO -0.19 -0.27 0.61 -0.76 -0.10 0.00 0.00 174.94 174.23 3m2p s LEU 30 N 3.81 4.44 0.15 2.97 1.02 -0.50 -0.87 118.68 129.71 3m2p s LEU 30 Ca 0.55 1.26 -0.19 0.00 0.02 0.00 0.00 54.13 55.77 3m2p s LEU 30 Cb -0.19 -3.18 0.05 0.00 0.02 0.00 0.00 46.19 42.88 3m2p s LEU 30 CO 0.17 0.17 0.51 0.28 0.02 0.00 0.00 176.35 177.50 3m2p s THR 31 N -1.31 0.03 -0.54 5.49 -1.32 -0.88 -3.30 115.64 113.83 3m2p s THR 31 Ca 0.35 -0.35 0.24 0.00 -1.21 0.00 0.00 61.69 60.72 3m2p s THR 31 Cb -0.18 -1.15 0.26 0.00 -1.51 0.00 0.00 72.50 69.92 3m2p s THR 31 CO 0.20 -0.15 1.58 0.03 -2.21 0.00 0.00 174.62 174.07 3m2p h ARG 32 N 2.18 0.00 -2.30 7.08 3.08 -1.89 -0.65 114.38 121.88 3m2p h ARG 32 Ca -0.33 0.00 0.09 0.00 0.07 0.00 0.00 59.98 59.81 3m2p h ARG 32 Cb 1.28 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 31.17 3m2p h ARG 32 CO 0.41 0.00 0.46 0.45 -1.07 0.00 0.00 179.97 180.22 3m2p s SER 33 N -5.38 -0.40 -0.22 7.04 0.15 -1.26 -4.74 113.70 108.89 3m2p s SER 33 Ca 0.07 0.05 0.14 0.00 0.70 0.00 0.00 55.95 56.92 3m2p s SER 33 Cb 0.09 0.41 0.56 0.00 -1.71 0.00 0.00 66.02 65.37 3m2p s SER 33 CO 0.66 -0.64 1.49 2.30 1.20 0.00 0.00 173.24 178.25 3m2p n ILE 34 N -0.15 2.44 -1.61 6.45 -5.35 -1.26 -5.00 119.36 114.88 3m2p n ILE 34 Ca -0.10 -2.00 -0.34 0.00 -0.27 0.00 0.00 62.75 60.04 3m2p n ILE 34 Cb 0.62 -0.28 0.03 0.00 -1.74 0.00 0.00 39.64 38.26 3m2p n ILE 34 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3m2p n GLY 35 N -0.55 5.24 1.49 3.28 0.00 -1.26 -5.25 105.19 108.13 3m2p n GLY 35 Ca 0.26 -2.20 0.02 0.00 0.00 0.00 0.00 46.02 44.10 3m2p n GLY 35 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3m2p n TYR 42 N -0.26 -3.61 -2.64 1.61 4.01 -1.26 -5.25 117.16 109.76 3m2p n TYR 42 Ca 0.53 1.96 -0.43 0.00 -0.16 0.00 0.00 57.90 59.80 3m2p n TYR 42 Cb 0.43 -3.05 -0.02 0.00 -0.31 0.00 0.00 39.34 36.39 3m2p n TYR 42 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 3m2p s GLU 43 N -5.13 4.22 0.13 -0.72 2.12 -1.26 -4.98 118.70 113.08 3m2p s GLU 43 Ca 0.00 1.32 -0.06 0.00 0.36 0.00 0.00 54.97 56.59 3m2p s GLU 43 Cb 0.00 -3.67 -0.06 0.00 0.26 0.00 0.00 34.13 30.66 3m2p s GLU 43 CO 0.00 -0.69 0.39 0.71 -0.54 0.00 0.00 175.26 175.13 3m2p s TYR 44 N 3.32 3.49 -0.13 5.30 1.51 -1.26 -2.16 117.35 127.43 3m2p s TYR 44 Ca 0.45 0.63 -0.03 0.00 -1.01 0.00 0.00 57.07 57.11 3m2p s TYR 44 Cb -0.15 -2.06 0.05 0.00 -0.11 0.00 0.00 41.96 39.69 3m2p s TYR 44 CO 0.08 0.44 0.05 1.03 -1.11 0.00 0.00 175.55 176.05 3m2p s ARG 45 N -2.49 0.27 0.04 -0.62 0.52 -0.05 -4.94 118.95 111.68 3m2p s ARG 45 Ca 0.39 -0.01 -0.30 0.00 -0.52 0.00 0.00 55.73 55.29 3m2p s ARG 45 Cb -0.12 -1.42 -0.05 0.00 0.52 0.00 0.00 34.95 33.87 3m2p s ARG 45 CO 0.23 -0.51 1.16 0.08 0.02 0.00 0.00 175.30 176.27 3m2p s VAL 46 N 2.05 4.20 0.11 3.52 1.01 -1.26 -2.07 120.40 127.97 3m2p s VAL 46 Ca 0.03 1.57 0.06 0.00 0.00 0.00 0.00 61.98 63.64 3m2p s VAL 46 Cb -0.15 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 3m2p s VAL 46 CO -0.07 0.11 -0.15 -0.55 0.00 0.00 0.00 175.10 174.45 3m2p s SER 47 N 1.08 2.00 0.00 3.32 0.15 -0.25 -4.91 113.70 115.09 3m2p s SER 47 Ca 0.57 -0.76 0.20 0.00 0.70 0.00 0.00 55.95 56.66 3m2p s SER 47 Cb -0.28 -0.07 0.55 0.00 -1.71 0.00 0.00 66.02 64.51 3m2p s SER 47 CO 0.28 -0.11 1.46 -0.90 1.20 0.00 0.00 173.24 175.17 3m2p n ASP 48 N 0.71 3.30 -2.82 5.45 5.75 -1.26 -4.22 116.55 123.46 3m2p n ASP 48 Ca -0.17 -1.99 -0.18 0.00 -0.01 0.00 0.00 54.79 52.45 3m2p n ASP 48 Cb 0.56 -0.38 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 3m2p n ASP 48 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 3m2p n TYR 49 N 1.32 -1.60 -2.22 2.11 4.01 -1.26 -5.00 117.16 114.52 3m2p n TYR 49 Ca 0.21 0.23 -0.32 0.00 -0.16 0.00 0.00 57.90 57.85 3m2p n TYR 49 Cb 0.53 -3.12 -0.02 0.00 -0.31 0.00 0.00 39.34 36.42 3m2p n TYR 49 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3m2p s THR 50 N -2.82 4.38 0.13 -0.72 -4.23 -1.26 -4.81 115.64 106.32 3m2p s THR 50 Ca 0.17 1.08 -0.21 0.00 -1.18 0.00 0.00 61.69 61.55 3m2p s THR 50 Cb -0.09 -3.66 -0.01 0.00 1.34 0.00 0.00 72.50 70.08 3m2p s THR 50 CO 0.21 -0.72 1.68 0.25 -0.54 0.00 0.00 174.62 175.51 3m2p h LEU 51 N 0.59 -0.33 -0.32 4.79 5.85 -1.94 0.41 115.31 124.37 3m2p h LEU 51 Ca -0.46 0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.40 3m2p h LEU 51 Cb 1.19 0.18 -0.06 0.00 0.37 0.00 0.00 40.66 42.34 3m2p h LEU 51 CO 0.60 -0.13 -0.09 -0.33 -0.34 0.00 0.00 178.44 178.15 3m2p h GLU 52 N -0.09 -0.02 0.75 1.25 3.07 -1.97 -1.16 114.58 116.42 3m2p h GLU 52 Ca 0.10 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.93 3m2p h GLU 52 Cb 0.24 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.16 3m2p h GLU 52 CO -0.24 -0.01 -0.36 0.22 -1.40 0.00 0.00 179.01 177.22 3m2p h ASP 53 N -0.02 -0.86 -1.16 1.42 3.58 -1.85 -3.02 116.42 114.52 3m2p h ASP 53 Ca 0.16 0.03 0.33 0.00 0.42 0.00 0.00 57.03 57.96 3m2p h ASP 53 Cb 0.26 0.22 -0.09 0.00 1.72 0.00 0.00 39.33 41.44 3m2p h ASP 53 CO -0.34 -0.60 0.78 -0.07 -2.88 0.00 0.00 179.24 176.12 3m2p h LEU 54 N -1.03 0.27 -0.68 2.28 3.38 -0.72 0.46 115.31 119.27 3m2p h LEU 54 Ca -0.10 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3m2p h LEU 54 Cb 0.78 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 3m2p h LEU 54 CO 0.17 0.01 0.38 0.40 0.09 0.00 0.00 178.44 179.49 3m2p h ILE 55 N 0.22 1.21 0.29 1.22 2.04 -1.09 -1.75 117.51 119.64 3m2p h ILE 55 Ca 0.64 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.98 3m2p h ILE 55 Cb 1.98 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 38.38 3m2p h ILE 55 CO -0.23 0.23 -0.14 0.78 0.00 0.00 0.00 178.15 178.78 3m2p h ASN 56 N 0.93 -0.33 0.00 1.72 -0.26 -0.06 -3.08 115.58 114.50 3m2p h ASN 56 Ca 0.24 -0.18 0.00 0.00 -0.56 0.00 0.00 56.30 55.80 3m2p h ASN 56 Cb 0.02 0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.37 3m2p h ASN 56 CO -0.04 0.15 0.23 0.00 -1.06 0.00 0.00 177.43 176.71 3m2p n GLN 57 N -5.05 0.04 -0.00 0.81 1.13 -0.25 -1.89 117.38 112.18 3m2p n GLN 57 Ca -0.08 0.42 0.04 0.00 -1.94 0.00 0.00 57.00 55.45 3m2p n GLN 57 Cb 0.25 -1.86 0.03 0.00 0.11 0.00 0.00 30.24 28.77 3m2p n GLN 57 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3m2p n LEU 58 N -1.64 1.66 -0.68 1.08 4.77 -0.66 -4.78 117.00 116.75 3m2p n LEU 58 Ca -0.00 -1.01 0.01 0.00 -0.03 0.00 0.00 56.01 54.98 3m2p n LEU 58 Cb 0.24 -0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.40 3m2p n LEU 58 CO 0.03 0.34 0.39 -0.46 -1.33 0.00 0.00 177.39 176.36 3m2p n ASN 59 N 0.43 1.69 -0.02 -1.43 0.23 -0.79 -1.93 115.26 113.44 3m2p n ASN 59 Ca 0.05 -2.14 0.00 0.00 -0.53 0.00 0.00 54.58 51.96 3m2p n ASN 59 Cb 0.20 -0.46 0.00 0.00 -2.08 0.00 0.00 39.78 37.44 3m2p n ASN 59 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 3m2p n ASP 60 N 0.08 0.91 -4.86 0.53 5.75 -1.26 -5.10 116.55 112.60 3m2p n ASP 60 Ca 0.05 -1.53 -0.35 0.00 -0.01 0.00 0.00 54.79 52.95 3m2p n ASP 60 Cb 0.38 -0.02 -0.06 0.00 -1.03 0.00 0.00 41.12 40.39 3m2p n ASP 60 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3m2p s VAL 61 N -0.51 5.04 -0.13 2.12 1.01 -0.81 -4.77 120.40 122.34 3m2p s VAL 61 Ca 0.01 0.56 0.16 0.00 0.00 0.00 0.00 61.98 62.71 3m2p s VAL 61 Cb 0.01 -3.67 -0.22 0.00 0.00 0.00 0.00 36.38 32.50 3m2p s VAL 61 CO 0.00 0.31 0.14 0.47 0.00 0.00 0.00 175.10 176.02 3m2p n ASP 62 N 0.98 0.88 -3.99 3.32 8.00 0.14 -4.86 116.55 121.01 3m2p n ASP 62 Ca -0.08 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.33 3m2p n ASP 62 Cb 0.52 1.13 -0.05 0.00 -0.02 0.00 0.00 41.12 42.70 3m2p n ASP 62 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3m2p s ALA 63 N -2.61 -0.25 -0.04 2.24 0.00 -1.13 -4.56 121.76 115.41 3m2p s ALA 63 Ca -0.08 -0.86 -0.02 0.00 0.00 0.00 0.00 51.96 51.01 3m2p s ALA 63 Cb 0.07 1.06 0.03 0.00 0.00 0.00 0.00 23.12 24.28 3m2p s ALA 63 CO 0.70 -0.84 0.08 0.08 0.00 0.00 0.00 175.76 175.78 3m2p s VAL 64 N -4.01 -0.08 -0.49 0.00 1.01 -1.02 -1.41 120.40 114.40 3m2p s VAL 64 Ca 0.22 0.25 -0.11 0.00 0.00 0.00 0.00 61.98 62.33 3m2p s VAL 64 Cb -0.00 -0.16 0.12 0.00 0.00 0.00 0.00 36.38 36.33 3m2p s VAL 64 CO 0.08 0.10 0.38 -0.69 0.00 0.00 0.00 175.10 174.97 3m2p s VAL 65 N 1.37 4.49 -0.97 2.92 1.01 -0.26 -1.04 120.40 127.92 3m2p s VAL 65 Ca -0.06 -1.67 -0.22 0.00 0.00 0.00 0.00 61.98 60.02 3m2p s VAL 65 Cb -0.12 -3.92 0.07 0.00 0.00 0.00 0.00 36.38 32.41 3m2p s VAL 65 CO -0.04 -0.78 1.34 -2.28 0.00 0.00 0.00 175.10 173.34 3m2p s HIS 66 N 1.43 2.66 -0.36 5.22 2.46 0.54 -2.56 115.29 124.69 3m2p s HIS 66 Ca 0.05 -0.91 0.18 0.00 0.47 0.00 0.00 55.06 54.85 3m2p s HIS 66 Cb -0.27 -4.58 -0.25 0.00 -0.13 0.00 0.00 32.58 27.35 3m2p s HIS 66 CO 0.01 -1.83 0.55 1.28 -2.47 0.00 0.00 174.74 172.27 3m2p n LEU 67 N 8.31 0.34 -4.64 8.88 4.77 -1.01 -2.72 117.00 130.93 3m2p n LEU 67 Ca 0.28 -0.20 -0.47 0.00 -0.03 0.00 0.00 56.01 55.58 3m2p n LEU 67 Cb 0.50 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.55 3m2p n LEU 67 CO 0.62 0.09 1.59 0.00 -1.33 0.00 0.00 177.39 178.36 3m2p n ALA 68 N -1.85 1.07 -3.40 -1.18 0.00 -1.09 -4.70 120.51 109.36 3m2p n ALA 68 Ca -0.01 0.17 -0.09 0.00 0.00 0.00 0.00 53.44 53.51 3m2p n ALA 68 Cb 0.40 -2.57 -0.03 0.00 0.00 0.00 0.00 19.45 17.24 3m2p n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3m2p s ALA 69 N 5.06 -0.98 -0.01 0.00 0.00 -1.26 -4.93 121.76 119.64 3m2p s ALA 69 Ca 0.96 -0.24 0.08 0.00 0.00 0.00 0.00 51.96 52.76 3m2p s ALA 69 Cb -0.65 0.87 -0.02 0.00 0.00 0.00 0.00 23.12 23.33 3m2p s ALA 69 CO 0.49 -0.85 -0.25 0.99 0.00 0.00 0.00 175.76 176.14 3m2p s THR 70 N -3.88 1.94 -0.01 0.00 2.01 -1.26 -5.05 115.64 109.38 3m2p s THR 70 Ca 0.10 -1.08 -0.20 0.00 0.31 0.00 0.00 61.69 60.82 3m2p s THR 70 Cb -0.02 -1.62 -0.27 0.00 0.01 0.00 0.00 72.50 70.60 3m2p s THR 70 CO -0.01 0.52 1.01 0.03 -0.69 0.00 0.00 174.62 175.48 3m2p h ARG 71 N 5.44 0.38 -1.33 4.92 3.08 -2.02 -3.49 114.38 121.36 3m2p h ARG 71 Ca -0.42 -0.50 0.00 0.00 0.07 0.00 0.00 59.98 59.12 3m2p h ARG 71 Cb 1.13 0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.34 3m2p h ARG 71 CO 0.47 1.19 -0.32 0.41 -1.07 0.00 0.00 179.97 180.65 3m2p n GLY 72 N 1.35 -3.77 0.03 0.04 0.00 -1.26 -4.87 105.19 96.70 3m2p n GLY 72 Ca -0.12 -0.87 -0.02 0.00 0.00 0.00 0.00 46.02 45.01 3m2p n GLY 72 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3m2p n SER 73 N -0.45 3.65 0.07 1.61 3.41 -1.26 -4.76 113.62 115.88 3m2p n SER 73 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 3m2p n SER 73 Cb 0.00 0.69 0.28 0.00 -0.26 0.00 0.00 64.21 64.92 3m2p n SER 73 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3m2p n GLN 74 N -2.16 0.25 -2.83 4.33 1.13 -1.26 -4.93 117.38 111.91 3m2p n GLN 74 Ca -0.08 0.12 -0.14 0.00 -1.94 0.00 0.00 57.00 54.95 3m2p n GLN 74 Cb 0.63 -1.70 0.03 0.00 0.11 0.00 0.00 30.24 29.31 3m2p n GLN 74 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3m2p n GLY 75 N 1.35 -0.04 3.39 1.08 0.00 -1.26 -5.03 105.19 104.67 3m2p n GLY 75 Ca 0.04 -0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 3m2p n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m2p s LYS 76 N -5.37 3.26 0.62 1.61 -0.14 -1.26 -5.00 119.74 113.45 3m2p s LYS 76 Ca 0.23 -0.68 0.38 0.00 -1.36 0.00 0.00 55.97 54.54 3m2p s LYS 76 Cb -0.10 -2.60 2.07 0.00 -1.68 0.00 0.00 37.83 35.52 3m2p s LYS 76 CO 0.28 0.28 2.27 0.97 -0.76 0.00 0.00 175.35 178.39 3m2p h ILE 77 N 5.23 0.19 -0.11 2.17 6.09 -2.02 -2.18 117.51 126.88 3m2p h ILE 77 Ca -0.29 -0.12 -0.11 0.00 -1.37 0.00 0.00 64.86 62.97 3m2p h ILE 77 Cb 1.20 1.10 -0.01 0.00 0.47 0.00 0.00 36.82 39.58 3m2p h ILE 77 CO 0.55 0.01 -0.42 0.77 -3.07 0.00 0.00 178.15 176.00 3m2p h SER 78 N 0.00 0.26 0.08 2.19 4.64 -2.02 -2.76 113.55 115.95 3m2p h SER 78 Ca -0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 3m2p h SER 78 Cb 0.10 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 3m2p h SER 78 CO 0.00 0.66 0.00 -0.33 -0.87 0.00 0.00 176.83 176.29 3m2p h GLU 79 N 0.21 0.00 0.00 4.77 5.08 -1.82 -2.41 114.58 120.41 3m2p h GLU 79 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3m2p h GLU 79 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 3m2p h GLU 79 CO 0.07 0.00 -0.91 1.19 -1.00 0.00 0.00 179.01 178.36 3m2p n PHE 80 N -2.80 0.00 0.01 4.33 3.72 -1.05 -4.50 117.46 117.18 3m2p n PHE 80 Ca -0.02 0.00 0.21 0.00 -0.05 0.00 0.00 57.45 57.59 3m2p n PHE 80 Cb 0.08 -0.05 0.71 0.00 -0.94 0.00 0.00 39.48 39.28 3m2p n PHE 80 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3m2p h HIS 81 N 0.00 0.00 -0.11 1.38 3.86 -1.44 -1.32 115.15 117.53 3m2p h HIS 81 Ca 0.00 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 3m2p h HIS 81 Cb 0.44 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.91 3m2p h HIS 81 CO 0.00 0.00 -0.05 0.22 0.86 0.00 0.00 177.93 178.96 3m2p h ASP 82 N 0.00 0.23 -0.90 2.45 3.58 -1.79 -2.20 116.42 117.78 3m2p h ASP 82 Ca 0.25 -0.41 0.23 0.00 0.42 0.00 0.00 57.03 57.51 3m2p h ASP 82 Cb 1.05 -0.06 -0.06 0.00 1.72 0.00 0.00 39.33 41.98 3m2p h ASP 82 CO -0.00 0.59 0.62 0.78 -2.88 0.00 0.00 179.24 178.34 3m2p h ASN 83 N -0.14 0.24 -0.00 2.28 -0.26 -1.54 0.27 115.58 116.43 3m2p h ASN 83 Ca 0.02 0.03 -0.01 0.00 -0.56 0.00 0.00 56.30 55.78 3m2p h ASN 83 Cb 0.50 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 37.75 3m2p h ASN 83 CO 0.02 0.09 -0.03 -0.33 -1.06 0.00 0.00 177.43 176.11 3m2p h GLU 84 N 0.23 0.02 -0.20 0.81 5.08 -1.34 -1.14 114.58 118.05 3m2p h GLU 84 Ca 0.46 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.82 3m2p h GLU 84 Cb 1.41 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.65 3m2p h GLU 84 CO -0.11 0.81 0.06 0.82 -1.00 0.00 0.00 179.01 179.58 3m2p h ILE 85 N -0.76 0.95 -0.72 3.13 2.04 -1.02 -0.98 117.51 120.14 3m2p h ILE 85 Ca -0.00 -0.05 0.13 0.00 1.00 0.00 0.00 64.86 65.94 3m2p h ILE 85 Cb 0.82 0.78 -0.09 0.00 -0.74 0.00 0.00 36.82 37.59 3m2p h ILE 85 CO 0.01 0.03 0.28 0.25 0.00 0.00 0.00 178.15 178.71 3m2p h LEU 86 N 0.15 0.25 -0.06 1.44 6.46 -1.00 0.40 115.31 122.96 3m2p h LEU 86 Ca 0.08 0.10 -0.01 0.00 -0.12 0.00 0.00 57.88 57.94 3m2p h LEU 86 Cb 0.06 0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 40.07 3m2p h LEU 86 CO -0.09 0.10 0.00 0.74 -0.62 0.00 0.00 178.44 178.57 3m2p h THR 87 N 0.43 1.25 0.19 1.05 2.02 -0.57 -0.16 112.91 117.10 3m2p h THR 87 Ca 0.39 -0.75 0.00 0.00 0.77 0.00 0.00 66.41 66.83 3m2p h THR 87 Cb 0.58 1.64 -0.02 0.00 -1.74 0.00 0.00 68.15 68.61 3m2p h THR 87 CO -0.39 0.21 -0.20 -0.61 0.37 0.00 0.00 175.52 174.90 3m2p h GLN 88 N -0.19 -0.40 -0.46 6.66 4.15 -0.90 -1.19 115.11 122.79 3m2p h GLN 88 Ca 0.02 0.03 0.07 0.00 0.77 0.00 0.00 58.65 59.54 3m2p h GLN 88 Cb 0.33 0.09 -0.09 0.00 0.21 0.00 0.00 27.48 28.01 3m2p h GLN 88 CO 0.00 -0.27 -0.43 -0.91 -1.93 0.00 0.00 178.83 175.29 3m2p h ASN 89 N -0.42 -1.45 -0.98 -0.69 -0.26 -0.86 0.16 115.58 111.09 3m2p h ASN 89 Ca 0.00 0.23 0.20 0.00 -0.56 0.00 0.00 56.30 56.17 3m2p h ASN 89 Cb 0.40 0.64 -0.09 0.00 -1.06 0.00 0.00 38.32 38.21 3m2p h ASN 89 CO -0.05 -0.36 0.62 0.25 -1.06 0.00 0.00 177.43 176.82 3m2p h LEU 90 N -0.30 0.65 -0.16 1.61 5.85 -0.65 0.29 115.31 122.60 3m2p h LEU 90 Ca 0.15 0.08 -0.21 0.00 0.84 0.00 0.00 57.88 58.73 3m2p h LEU 90 Cb 0.58 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 3m2p h LEU 90 CO -0.61 0.23 -0.96 1.88 -0.34 0.00 0.00 178.44 178.64 3m2p h TYR 91 N 0.63 0.26 -0.47 1.25 0.05 0.09 -0.42 116.97 118.36 3m2p h TYR 91 Ca 0.55 -0.16 -0.02 0.00 0.05 0.00 0.00 58.73 59.15 3m2p h TYR 91 Cb 1.04 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 38.73 3m2p h TYR 91 CO -0.00 1.03 0.23 -0.44 -1.05 0.00 0.00 178.16 177.92 3m2p h ASP 92 N 0.08 0.61 -0.04 3.88 3.32 0.15 -0.80 116.42 123.62 3m2p h ASP 92 Ca -0.05 -0.12 0.01 0.00 0.02 0.00 0.00 57.03 56.88 3m2p h ASP 92 Cb 1.64 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 41.02 3m2p h ASP 92 CO 0.14 0.56 0.00 0.00 -1.72 0.00 0.00 179.24 178.22 3m2p h ALA 93 N 1.07 0.03 -0.76 3.45 0.00 -0.47 -1.65 119.26 120.93 3m2p h ALA 93 Ca 0.16 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.16 3m2p h ALA 93 Cb 0.11 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 3m2p h ALA 93 CO -0.02 -0.49 0.50 0.00 0.00 0.00 0.00 179.25 179.24 3m2p h TYR 95 N 0.73 0.72 -0.59 0.00 3.20 -0.72 0.28 116.97 120.60 3m2p h TYR 95 Ca 0.34 -0.14 0.14 0.00 3.14 0.00 0.00 58.73 62.21 3m2p h TYR 95 Cb 0.37 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 3m2p h TYR 95 CO -0.00 0.79 0.41 0.93 -1.64 0.00 0.00 178.16 178.65 3m2p h GLU 96 N 0.44 0.18 -0.33 1.82 4.39 -0.54 -1.90 114.58 118.64 3m2p h GLU 96 Ca 0.09 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 3m2p h GLU 96 Cb 0.54 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 3m2p h GLU 96 CO 0.03 0.12 0.00 0.09 -1.16 0.00 0.00 179.01 178.09 3m2p n ASN 97 N -4.43 4.23 -4.26 1.42 3.02 -0.99 -4.95 115.26 109.30 3m2p n ASN 97 Ca 0.11 -3.03 -0.35 0.00 -0.03 0.00 0.00 54.58 51.28 3m2p n ASN 97 Cb 0.53 -0.58 -0.05 0.00 -0.61 0.00 0.00 39.78 39.08 3m2p n ASN 97 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3m2p n ASN 98 N -0.31 -1.99 -4.73 6.41 5.15 -0.71 -4.94 115.26 114.14 3m2p n ASN 98 Ca 0.23 -1.09 -0.37 0.00 -0.60 0.00 0.00 54.58 52.75 3m2p n ASN 98 Cb 0.97 -2.43 -0.07 0.00 -0.53 0.00 0.00 39.78 37.72 3m2p n ASN 98 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3m2p s ILE 99 N -3.53 5.25 0.00 -1.44 1.01 0.95 -4.94 121.20 118.51 3m2p s ILE 99 Ca 0.55 0.71 0.00 0.00 0.00 0.00 0.00 60.65 61.91 3m2p s ILE 99 Cb -0.31 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.46 3m2p s ILE 99 CO 0.95 0.38 0.00 -1.54 0.00 0.00 0.00 174.94 174.73 3m2p n SER 100 N 3.49 2.97 -4.59 3.58 3.41 -1.26 -4.35 113.62 116.87 3m2p n SER 100 Ca -0.10 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.08 3m2p n SER 100 Cb 0.52 0.41 -0.02 0.00 -0.26 0.00 0.00 64.21 64.85 3m2p n SER 100 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3m2p s ASN 101 N -1.81 6.41 -0.01 4.04 3.04 -1.26 0.29 114.94 125.63 3m2p s ASN 101 Ca 0.00 0.28 0.01 0.00 0.04 0.00 0.00 52.86 53.19 3m2p s ASN 101 Cb 0.00 -2.55 0.01 0.00 -1.54 0.00 0.00 41.25 37.17 3m2p s ASN 101 CO 0.00 -1.48 -0.04 -0.63 -3.04 0.00 0.00 177.10 171.91 3m2p s ILE 102 N 5.14 0.35 -0.13 -5.21 1.01 -1.10 -2.42 121.20 118.83 3m2p s ILE 102 Ca 0.48 -0.13 0.03 0.00 0.00 0.00 0.00 60.65 61.02 3m2p s ILE 102 Cb -0.09 -0.34 0.01 0.00 0.01 0.00 0.00 42.46 42.05 3m2p s ILE 102 CO 0.27 0.13 -0.22 -0.69 0.00 0.00 0.00 174.94 174.43 3m2p s VAL 103 N 0.26 2.00 -0.10 2.92 1.01 -0.21 -0.29 120.40 126.00 3m2p s VAL 103 Ca -0.03 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 60.98 3m2p s VAL 103 Cb -0.06 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 3m2p s VAL 103 CO -0.00 0.54 -0.03 -0.47 0.00 0.00 0.00 175.10 175.13 3m2p s TYR 104 N 0.71 3.05 -0.81 5.22 5.04 -0.48 -0.34 117.35 129.73 3m2p s TYR 104 Ca -0.10 -0.02 -0.22 0.00 -2.44 0.00 0.00 57.07 54.29 3m2p s TYR 104 Cb -0.16 -1.82 0.08 0.00 0.35 0.00 0.00 41.96 40.41 3m2p s TYR 104 CO 0.01 0.25 1.13 0.00 -1.34 0.00 0.00 175.55 175.60 3m2p s ALA 105 N -0.43 3.08 0.19 3.97 0.00 -1.10 -0.26 121.76 127.21 3m2p s ALA 105 Ca 0.07 -2.14 0.02 0.00 0.00 0.00 0.00 51.96 49.91 3m2p s ALA 105 Cb -0.12 -4.07 0.02 0.00 0.00 0.00 0.00 23.12 18.95 3m2p s ALA 105 CO 0.02 -3.04 0.17 0.45 0.00 0.00 0.00 175.76 173.36 3m2p n SER 106 N 7.74 0.39 -3.94 0.00 2.88 0.20 -4.97 113.62 115.91 3m2p n SER 106 Ca 0.11 -1.29 -0.10 0.00 -1.33 0.00 0.00 58.87 56.27 3m2p n SER 106 Cb 0.48 -0.09 -0.11 0.00 -0.75 0.00 0.00 64.21 63.74 3m2p n SER 106 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3m2p s THR 107 N 0.13 0.10 0.66 2.46 -1.32 -1.26 -2.53 115.64 113.88 3m2p s THR 107 Ca 0.12 -0.83 0.26 0.00 -1.21 0.00 0.00 61.69 60.04 3m2p s THR 107 Cb -0.01 -0.32 0.27 0.00 -1.51 0.00 0.00 72.50 70.93 3m2p s THR 107 CO 0.08 -0.45 1.80 -0.29 -2.21 0.00 0.00 174.62 173.55 3m2p h ILE 108 N 4.52 0.02 0.00 5.08 2.10 -0.48 -1.86 117.51 126.88 3m2p h ILE 108 Ca -0.32 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.62 3m2p h ILE 108 Cb 1.20 0.58 0.00 0.00 -1.09 0.00 0.00 36.82 37.51 3m2p h ILE 108 CO 0.41 0.00 0.00 -1.20 -1.08 0.00 0.00 178.15 176.28 3m2p n SER 109 N -2.88 0.00 0.16 2.19 7.64 -1.26 -1.44 113.62 118.04 3m2p n SER 109 Ca -0.01 -0.74 0.03 0.00 1.01 0.00 0.00 58.87 59.16 3m2p n SER 109 Cb 0.47 0.00 0.23 0.00 -1.01 0.00 0.00 64.21 63.91 3m2p n SER 109 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3m2p h ALA 110 N 2.19 0.90 -1.71 -0.43 0.00 -1.64 -3.38 119.26 115.18 3m2p h ALA 110 Ca 0.00 -0.43 -0.43 0.00 0.00 0.00 0.00 54.91 54.04 3m2p h ALA 110 Cb 0.00 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 17.73 3m2p h ALA 110 CO 0.00 0.60 -0.23 0.71 0.00 0.00 0.00 179.25 180.33 3m2p s TYR 111 N -3.45 2.98 0.00 0.00 2.02 -0.52 -0.17 117.35 118.21 3m2p s TYR 111 Ca 0.00 -0.19 0.00 0.00 -0.37 0.00 0.00 57.07 56.51 3m2p s TYR 111 Cb 0.11 -2.30 0.00 0.00 -0.40 0.00 0.00 41.96 39.36 3m2p s TYR 111 CO 0.72 -0.35 0.00 -1.13 -1.57 0.00 0.00 175.55 173.22 3m2p n SER 112 N -1.89 0.00 -4.56 2.29 3.41 -1.24 -4.63 113.62 107.00 3m2p n SER 112 Ca 0.04 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.27 3m2p n SER 112 Cb 0.59 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.51 3m2p n SER 112 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3m2p s ASP 113 N -0.94 5.17 0.59 4.04 -1.08 -1.26 -4.83 116.67 118.35 3m2p s ASP 113 Ca 0.00 0.74 0.29 0.00 -0.52 0.00 0.00 52.55 53.06 3m2p s ASP 113 Cb 0.00 -2.52 1.54 0.00 -1.46 0.00 0.00 42.92 40.48 3m2p s ASP 113 CO 0.00 -2.38 1.97 -0.33 0.52 0.00 0.00 175.17 174.96 3m2p h GLU 114 N 15.78 0.00 0.00 4.34 5.08 -1.99 -1.82 114.58 135.98 3m2p h GLU 114 Ca -0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 3m2p h GLU 114 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3m2p h GLU 114 CO 1.16 0.00 0.00 1.15 -1.00 0.00 0.00 179.01 180.32 3m2p h THR 115 N 0.00 0.00 -0.01 1.13 2.02 -1.98 -2.80 112.91 111.26 3m2p h THR 115 Ca 0.16 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.22 3m2p h THR 115 Cb 0.91 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 68.42 3m2p h THR 115 CO -0.00 0.00 -0.24 -1.20 0.37 0.00 0.00 175.52 174.45 3m2p n SER 116 N -3.03 1.90 -4.69 4.18 7.64 -0.68 -5.01 113.62 113.93 3m2p n SER 116 Ca -0.02 -1.45 -0.44 0.00 1.01 0.00 0.00 58.87 57.97 3m2p n SER 116 Cb 0.13 0.32 -0.02 0.00 -1.01 0.00 0.00 64.21 63.63 3m2p n SER 116 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3m2p n LEU 117 N 0.22 3.42 -4.78 -3.43 4.77 -1.06 -4.03 117.00 112.11 3m2p n LEU 117 Ca 0.08 1.16 -0.36 0.00 -0.03 0.00 0.00 56.01 56.87 3m2p n LEU 117 Cb 0.37 -1.47 -0.02 0.00 -2.33 0.00 0.00 43.42 39.97 3m2p n LEU 117 CO 0.18 -0.40 0.76 -2.84 -1.33 0.00 0.00 177.39 173.76 3m2p s PRO 118 N -0.90 3.81 -0.13 3.23 0.02 -1.26 -5.13 135.00 134.63 3m2p s PRO 118 Ca 0.63 1.55 -0.24 0.00 0.02 0.00 0.00 61.00 62.97 3m2p s PRO 118 Cb -0.60 -2.28 -0.02 0.00 0.02 0.00 0.00 34.50 31.62 3m2p s PRO 118 CO 0.54 -0.46 0.76 -1.58 -0.33 0.00 0.00 177.00 175.92 3m2p s TRP 119 N -1.74 3.47 0.41 6.54 0.51 -1.14 -4.66 118.94 122.33 3m2p s TRP 119 Ca 0.65 1.21 0.07 0.00 -2.12 0.00 0.00 56.10 55.91 3m2p s TRP 119 Cb -0.22 -2.91 -0.05 0.00 -0.81 0.00 0.00 33.47 29.47 3m2p s TRP 119 CO 0.27 -0.11 0.17 0.54 -0.51 0.00 0.00 176.95 177.31 3m2p s ASN 120 N 1.04 4.41 0.43 2.95 2.20 -1.26 -1.06 114.94 123.65 3m2p s ASN 120 Ca 0.37 -1.08 0.29 0.00 -0.94 0.00 0.00 52.86 51.50 3m2p s ASN 120 Cb -0.17 -0.48 1.55 0.00 -2.00 0.00 0.00 41.25 40.15 3m2p s ASN 120 CO 0.14 -0.53 1.88 -0.33 -2.94 0.00 0.00 177.10 175.32 3m2p h GLU 121 N 1.44 0.00 -0.41 3.55 3.07 -1.92 0.16 114.58 120.47 3m2p h GLU 121 Ca -0.43 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.43 3m2p h GLU 121 Cb 1.25 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.16 3m2p h GLU 121 CO 0.70 0.00 0.00 1.63 -1.40 0.00 0.00 179.01 179.94 3m2p n LYS 122 N -2.52 1.95 -2.67 2.33 5.02 -1.26 -4.88 118.16 116.13 3m2p n LYS 122 Ca -0.02 -1.44 -0.41 0.00 -2.02 0.00 0.00 58.31 54.42 3m2p n LYS 122 Cb 0.06 -1.32 -0.04 0.00 -0.02 0.00 0.00 35.03 33.71 3m2p n LYS 122 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3m2p s GLU 123 N -1.48 4.62 -0.03 1.97 2.56 0.55 -4.99 118.70 121.90 3m2p s GLU 123 Ca 0.27 1.50 -0.32 0.00 0.00 0.00 0.00 54.97 56.42 3m2p s GLU 123 Cb 0.14 -3.39 -0.10 0.00 2.00 0.00 0.00 34.13 32.78 3m2p s GLU 123 CO 0.18 0.07 1.96 1.28 -0.56 0.00 0.00 175.26 178.18 3m2p n LEU 124 N 3.22 3.84 -4.69 2.70 4.77 -1.26 -4.94 117.00 120.63 3m2p n LEU 124 Ca 0.04 0.89 -0.37 0.00 -0.03 0.00 0.00 56.01 56.53 3m2p n LEU 124 Cb 0.49 -1.47 0.06 0.00 -2.33 0.00 0.00 43.42 40.18 3m2p n LEU 124 CO 0.52 0.05 0.80 -2.65 -1.33 0.00 0.00 177.39 174.78 3m2p n PRO 125 N 7.30 1.07 -2.84 3.23 -0.02 -1.26 -4.86 135.00 137.62 3m2p n PRO 125 Ca 0.22 0.42 -0.10 0.00 -2.02 0.00 0.00 63.50 62.02 3m2p n PRO 125 Cb 0.37 -2.43 0.02 0.00 -0.02 0.00 0.00 33.50 31.44 3m2p n PRO 125 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3m2p n LEU 126 N -1.53 -2.61 -4.73 2.45 7.94 0.77 -5.00 117.00 114.29 3m2p n LEU 126 Ca 0.15 -3.40 -0.40 0.00 -1.11 0.00 0.00 56.01 51.25 3m2p n LEU 126 Cb 0.48 0.78 0.02 0.00 0.53 0.00 0.00 43.42 45.23 3m2p n LEU 126 CO 0.48 1.98 0.95 -2.65 -1.11 0.00 0.00 177.39 177.04 3m2p n PRO 127 N 2.09 1.95 -0.00 1.96 -0.02 -1.19 -3.65 135.00 136.14 3m2p n PRO 127 Ca 0.14 0.70 0.08 0.00 -2.02 0.00 0.00 63.50 62.40 3m2p n PRO 127 Cb 0.59 -2.50 -0.11 0.00 -0.02 0.00 0.00 33.50 31.46 3m2p n PRO 127 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3m2p n ASP 128 N -0.21 1.00 0.00 2.55 2.03 -1.26 -4.92 116.55 115.74 3m2p n ASP 128 Ca 0.07 -0.42 0.00 0.00 0.52 0.00 0.00 54.79 54.96 3m2p n ASP 128 Cb 0.42 1.39 0.00 0.00 -0.72 0.00 0.00 41.12 42.21 3m2p n ASP 128 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3m2p n LEU 129 N -1.74 0.00 0.00 -2.67 4.77 -1.26 -5.04 117.00 111.06 3m2p n LEU 129 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3m2p n LEU 129 Cb 0.34 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 3m2p n LEU 129 CO 0.34 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.40 3m2p n TYR 131 N 0.00 0.00 0.08 -1.77 9.36 -1.26 -1.31 117.16 122.26 3m2p n TYR 131 Ca 0.00 0.00 -0.19 0.00 3.32 0.00 0.00 57.90 61.03 3m2p n TYR 131 Cb 0.00 0.00 -0.11 0.00 -0.63 0.00 0.00 39.34 38.60 3m2p n TYR 131 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 3m2p h GLY 132 N 0.00 0.62 0.24 2.98 0.00 -1.97 -2.74 103.07 102.21 3m2p h GLY 132 Ca 0.00 -1.23 0.14 0.00 0.00 0.00 0.00 47.33 46.24 3m2p h GLY 132 CO 0.00 1.09 0.43 -2.08 0.00 0.00 0.00 176.54 175.97 3m2p h VAL 133 N 0.27 0.74 0.00 4.60 2.07 -1.51 -0.37 116.25 122.04 3m2p h VAL 133 Ca -0.15 -0.21 -0.10 0.00 0.82 0.00 0.00 66.70 67.06 3m2p h VAL 133 Cb 1.81 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 3m2p h VAL 133 CO 0.21 0.11 -0.49 -1.28 0.02 0.00 0.00 177.57 176.15 3m2p h SER 134 N 0.62 0.00 0.15 0.57 0.87 -1.82 -1.69 113.55 112.24 3m2p h SER 134 Ca 0.45 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.84 3m2p h SER 134 Cb 0.63 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.58 3m2p h SER 134 CO -0.36 0.49 -0.66 0.11 -0.53 0.00 0.00 176.83 175.88 3m2p h LYS 135 N 0.00 0.48 -0.50 2.24 1.79 -1.01 -1.02 116.57 118.54 3m2p h LYS 135 Ca -0.00 -0.35 -0.11 0.00 -2.18 0.00 0.00 60.65 58.01 3m2p h LYS 135 Cb 1.35 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 32.05 3m2p h LYS 135 CO 0.06 0.97 -0.10 1.25 -1.08 0.00 0.00 179.45 180.56 3m2p h LEU 136 N 0.34 0.96 -0.05 2.94 6.46 -0.91 -1.66 115.31 123.40 3m2p h LEU 136 Ca -0.02 -0.35 0.02 0.00 -0.12 0.00 0.00 57.88 57.41 3m2p h LEU 136 Cb 1.22 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 40.87 3m2p h LEU 136 CO 0.12 1.09 -0.05 0.00 -0.62 0.00 0.00 178.44 178.97 3m2p h ALA 137 N 0.90 -0.01 0.00 1.25 0.00 -1.11 -2.13 119.26 118.16 3m2p h ALA 137 Ca 0.13 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3m2p h ALA 137 Cb 0.66 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 3m2p h ALA 137 CO 0.05 -0.53 -0.08 0.00 0.00 0.00 0.00 179.25 178.68 3m2p h GLU 139 N 0.00 0.11 0.00 0.00 5.08 -0.68 -2.27 114.58 116.82 3m2p h GLU 139 Ca -0.00 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 3m2p h GLU 139 Cb 0.17 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3m2p h GLU 139 CO 0.01 0.33 -0.20 0.45 -1.00 0.00 0.00 179.01 178.60 3m2p h HIS 140 N -0.13 0.00 -0.08 4.33 3.86 -0.81 0.06 115.15 122.37 3m2p h HIS 140 Ca 0.02 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 3m2p h HIS 140 Cb 0.28 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.74 3m2p h HIS 140 CO 0.01 0.20 0.02 0.82 0.86 0.00 0.00 177.93 179.85 3m2p h ILE 141 N 0.00 1.19 -0.14 2.45 2.04 -1.19 -0.87 117.51 121.00 3m2p h ILE 141 Ca -0.00 -0.60 -0.02 0.00 1.00 0.00 0.00 64.86 65.24 3m2p h ILE 141 Cb 0.65 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 3m2p h ILE 141 CO 0.03 0.17 -0.02 1.23 0.00 0.00 0.00 178.15 179.56 3m2p h GLY 142 N -0.08 0.21 0.41 5.37 0.00 -0.77 -2.81 103.07 105.39 3m2p h GLY 142 Ca 0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 3m2p h GLY 142 CO 0.00 0.09 -0.10 3.43 0.00 0.00 0.00 176.54 179.96 3m2p h ASN 143 N 0.19 -0.24 -0.87 0.19 -0.26 -0.73 -2.34 115.58 111.52 3m2p h ASN 143 Ca 0.05 -0.28 0.16 0.00 -0.56 0.00 0.00 56.30 55.67 3m2p h ASN 143 Cb 0.16 0.06 -0.10 0.00 -1.06 0.00 0.00 38.32 37.39 3m2p h ASN 143 CO 0.00 0.27 0.44 0.40 -1.06 0.00 0.00 177.43 177.48 3m2p h ILE 144 N -0.89 0.68 -0.14 2.81 2.04 -1.16 0.61 117.51 121.46 3m2p h ILE 144 Ca -0.03 -0.20 -0.06 0.00 1.00 0.00 0.00 64.86 65.56 3m2p h ILE 144 Cb 0.51 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 3m2p h ILE 144 CO 0.05 0.11 -0.19 1.88 0.00 0.00 0.00 178.15 180.00 3m2p h TYR 145 N 0.60 0.25 -0.11 1.37 -1.99 -1.56 -1.11 116.97 114.42 3m2p h TYR 145 Ca 0.49 -0.04 -0.21 0.00 2.00 0.00 0.00 58.73 60.97 3m2p h TYR 145 Cb 0.75 -0.07 0.00 0.00 2.00 0.00 0.00 36.73 39.41 3m2p h TYR 145 CO -0.09 0.42 -0.78 0.77 -0.00 0.00 0.00 178.16 178.47 3m2p h SER 146 N 0.22 0.73 1.54 3.88 0.02 0.70 0.10 113.55 120.74 3m2p h SER 146 Ca 0.04 -0.49 -0.05 0.00 -0.84 0.00 0.00 61.79 60.44 3m2p h SER 146 Cb 0.47 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 3m2p h SER 146 CO 0.03 1.27 -0.47 0.03 -1.14 0.00 0.00 176.83 176.55 3m2p h ARG 147 N 0.41 0.00 0.00 3.45 3.08 -0.85 -3.30 114.38 117.17 3m2p h ARG 147 Ca -0.05 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.80 3m2p h ARG 147 Cb 1.39 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.41 3m2p h ARG 147 CO 0.15 0.21 -1.71 1.63 -1.07 0.00 0.00 179.97 179.17 3m2p n LYS 148 N -3.06 0.29 -0.78 0.04 5.02 -0.43 -4.71 118.16 114.53 3m2p n LYS 148 Ca 0.01 0.10 -0.01 0.00 -2.02 0.00 0.00 58.31 56.39 3m2p n LYS 148 Cb 0.64 -1.11 0.27 0.00 -0.02 0.00 0.00 35.03 34.81 3m2p n LYS 148 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3m2p n LYS 149 N -3.22 3.03 -2.97 1.97 5.02 0.00 -4.96 118.16 117.03 3m2p n LYS 149 Ca -0.24 -3.03 -0.18 0.00 -2.02 0.00 0.00 58.31 52.84 3m2p n LYS 149 Cb 0.71 -2.00 -0.00 0.00 -0.02 0.00 0.00 35.03 33.71 3m2p n LYS 149 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3m2p n GLY 150 N -0.50 -0.49 3.84 0.72 0.00 -1.09 -4.92 105.19 102.75 3m2p n GLY 150 Ca 0.33 0.06 -0.30 0.00 0.00 0.00 0.00 46.02 46.10 3m2p n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m2p s LEU 151 N -6.12 2.79 -0.56 0.99 1.02 -1.16 -4.90 118.68 110.75 3m2p s LEU 151 Ca 0.23 1.25 0.07 0.00 0.02 0.00 0.00 54.13 55.70 3m2p s LEU 151 Cb -0.12 -3.98 0.27 0.00 0.02 0.00 0.00 46.19 42.38 3m2p s LEU 151 CO 0.28 -1.61 0.73 0.00 0.02 0.00 0.00 176.35 175.77 3m2p s ILE 153 N -2.48 4.94 -0.41 0.00 1.01 -1.26 -2.71 121.20 120.29 3m2p s ILE 153 Ca 0.40 1.48 -0.07 0.00 0.00 0.00 0.00 60.65 62.47 3m2p s ILE 153 Cb 0.18 -4.07 0.09 0.00 0.01 0.00 0.00 42.46 38.67 3m2p s ILE 153 CO -0.05 0.07 0.22 -0.54 0.00 0.00 0.00 174.94 174.64 3m2p s LYS 154 N 1.96 2.41 -0.42 2.79 1.02 0.61 -2.19 119.74 125.91 3m2p s LYS 154 Ca 0.35 -1.57 -0.29 0.00 0.02 0.00 0.00 55.97 54.49 3m2p s LYS 154 Cb -0.16 -3.67 0.01 0.00 -0.52 0.00 0.00 37.83 33.49 3m2p s LYS 154 CO 0.12 -0.97 1.36 -0.80 -0.92 0.00 0.00 175.35 174.14 3m2p s ASN 155 N 1.99 6.39 -0.12 2.83 0.02 -0.23 -1.39 114.94 124.45 3m2p s ASN 155 Ca 0.04 0.76 -0.22 0.00 -1.02 0.00 0.00 52.86 52.42 3m2p s ASN 155 Cb -0.23 -2.54 -0.03 0.00 0.02 0.00 0.00 41.25 38.47 3m2p s ASN 155 CO -0.00 -1.40 0.66 -0.76 0.02 0.00 0.00 177.10 175.62 3m2p s LEU 156 N 5.25 4.25 -0.88 0.60 1.43 0.64 -0.75 118.68 129.22 3m2p s LEU 156 Ca 0.59 1.05 -0.10 0.00 -1.03 0.00 0.00 54.13 54.63 3m2p s LEU 156 Cb -0.12 -3.00 0.23 0.00 0.03 0.00 0.00 46.19 43.33 3m2p s LEU 156 CO 0.32 -0.17 0.82 -0.13 0.23 0.00 0.00 176.35 177.43 3m2p s ARG 157 N 1.18 3.62 0.66 1.70 0.52 0.23 0.60 118.95 127.46 3m2p s ARG 157 Ca 0.34 -2.73 -0.16 0.00 -0.52 0.00 0.00 55.73 52.66 3m2p s ARG 157 Cb -0.17 -4.34 0.00 0.00 0.52 0.00 0.00 34.95 30.96 3m2p s ARG 157 CO 0.14 -1.26 1.14 -0.06 0.02 0.00 0.00 175.30 175.28 3m2p s PHE 158 N -0.36 2.48 0.15 -0.53 0.08 -1.05 -1.32 117.98 117.43 3m2p s PHE 158 Ca 0.22 1.56 -0.01 0.00 0.12 0.00 0.00 56.93 58.82 3m2p s PHE 158 Cb -0.11 -3.26 0.03 0.00 -0.57 0.00 0.00 43.02 39.11 3m2p s PHE 158 CO -0.08 -1.92 0.20 0.00 -0.10 0.00 0.00 175.22 173.32 3m2p n ALA 159 N -2.35 -0.09 -2.39 5.36 0.00 -0.87 0.14 120.51 120.30 3m2p n ALA 159 Ca 0.11 -0.33 -0.42 0.00 0.00 0.00 0.00 53.44 52.81 3m2p n ALA 159 Cb 0.51 0.03 -0.03 0.00 0.00 0.00 0.00 19.45 19.96 3m2p n ALA 159 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3m2p s HIS 160 N -0.84 3.31 -0.18 0.00 3.76 -1.08 -4.66 115.29 115.60 3m2p s HIS 160 Ca 0.12 1.21 -0.09 0.00 -0.15 0.00 0.00 55.06 56.15 3m2p s HIS 160 Cb -0.01 -3.46 -0.05 0.00 1.11 0.00 0.00 32.58 30.18 3m2p s HIS 160 CO 0.08 -1.48 0.12 -0.51 -0.85 0.00 0.00 174.74 172.11 3m2p s LEU 161 N 1.46 4.17 0.29 0.89 1.02 -1.26 0.32 118.68 125.57 3m2p s LEU 161 Ca 0.59 0.24 0.07 0.00 0.02 0.00 0.00 54.13 55.05 3m2p s LEU 161 Cb -0.29 -2.06 -0.06 0.00 0.02 0.00 0.00 46.19 43.80 3m2p s LEU 161 CO 0.27 0.22 -0.05 -0.72 0.02 0.00 0.00 176.35 176.09 3m2p s TYR 162 N 0.14 2.03 0.00 0.29 1.13 -1.14 -4.97 117.35 114.83 3m2p s TYR 162 Ca 0.08 -0.69 0.00 0.00 -1.41 0.00 0.00 57.07 55.05 3m2p s TYR 162 Cb -0.11 -1.18 0.00 0.00 -1.10 0.00 0.00 41.96 39.57 3m2p s TYR 162 CO -0.01 0.30 0.00 0.41 -2.51 0.00 0.00 175.55 173.75 3m2p n GLY 163 N -0.63 -0.81 2.95 5.49 0.00 -1.26 -1.99 105.19 108.94 3m2p n GLY 163 Ca -0.05 0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 3m2p n GLY 163 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3m2p s PHE 164 N -1.87 2.65 0.00 1.61 5.36 -1.26 -4.90 117.98 119.57 3m2p s PHE 164 Ca 0.00 -2.02 0.00 0.00 -0.96 0.00 0.00 56.93 53.95 3m2p s PHE 164 Cb 0.00 -1.85 0.00 0.00 -0.34 0.00 0.00 43.02 40.83 3m2p s PHE 164 CO 0.00 -0.83 0.00 0.09 -1.46 0.00 0.00 175.22 173.02 3m2p n ASN 165 N 4.59 -1.46 0.00 6.13 4.13 -1.26 -5.17 115.26 122.22 3m2p n ASN 165 Ca -0.09 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.17 3m2p n ASN 165 Cb 0.43 -0.73 0.00 0.00 -1.54 0.00 0.00 39.78 37.94 3m2p n ASN 165 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3m2p n GLU 166 N -0.24 0.00 -0.59 3.52 -0.58 -1.26 -5.03 120.64 116.46 3m2p n GLU 166 Ca 0.00 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.76 3m2p n GLU 166 Cb 0.00 0.00 0.21 0.00 -0.57 0.00 0.00 31.44 31.08 3m2p n GLU 166 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3m2p n ASN 169 N 0.00 2.67 0.00 1.62 4.13 -1.26 -5.18 115.26 117.24 3m2p n ASN 169 Ca 0.00 -3.53 0.00 0.00 1.68 0.00 0.00 54.58 52.73 3m2p n ASN 169 Cb 0.00 -0.57 0.00 0.00 -1.54 0.00 0.00 39.78 37.67 3m2p n ASN 169 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 3m2p n TYR 170 N -1.03 0.00 0.00 3.10 4.01 -1.26 -4.49 117.16 117.50 3m2p n TYR 170 Ca 0.26 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.00 3m2p n TYR 170 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.93 3m2p n TYR 170 CO 0.00 0.00 0.00 1.51 -0.46 0.00 0.00 176.86 177.91 3m2p n ILE 172 N 0.00 0.00 0.01 -0.72 0.13 -1.26 -0.13 119.36 117.38 3m2p n ILE 172 Ca 0.00 0.00 -0.15 0.00 -1.10 0.00 0.00 62.75 61.50 3m2p n ILE 172 Cb 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 39.64 38.76 3m2p n ILE 172 CO 0.00 0.00 0.00 0.78 2.80 0.00 0.00 176.55 180.13 3m2p h ASN 173 N 0.00 0.78 -0.01 9.51 2.35 -1.97 -3.27 115.58 122.98 3m2p h ASN 173 Ca 0.00 -0.52 0.02 0.00 -0.55 0.00 0.00 56.30 55.25 3m2p h ASN 173 Cb 0.00 -0.23 -0.05 0.00 0.05 0.00 0.00 38.32 38.09 3m2p h ASN 173 CO 0.00 1.30 -0.48 0.03 -1.65 0.00 0.00 177.43 176.63 3m2p h ARG 174 N 0.44 -0.57 0.00 0.81 3.08 -0.76 -3.49 114.38 113.88 3m2p h ARG 174 Ca -0.05 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3m2p h ARG 174 Cb 1.40 0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.58 3m2p h ARG 174 CO 0.15 -0.38 0.00 1.19 -1.07 0.00 0.00 179.97 179.86 3m2p n PHE 175 N -5.13 0.00 -2.94 3.04 3.72 -1.24 -5.13 117.46 109.79 3m2p n PHE 175 Ca -0.06 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.33 3m2p n PHE 175 Cb 0.35 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.89 3m2p n PHE 175 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3m2p n ALA 193 N -3.00 -1.39 -2.45 4.37 0.00 -1.26 -5.07 120.51 111.70 3m2p n ALA 193 Ca 0.00 0.36 -0.31 0.00 0.00 0.00 0.00 53.44 53.49 3m2p n ALA 193 Cb 0.00 -1.13 -0.05 0.00 0.00 0.00 0.00 19.45 18.28 3m2p n ALA 193 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3m2p s LYS 194 N -0.10 3.74 -0.12 0.00 1.02 -1.26 -4.10 119.74 118.92 3m2p s LYS 194 Ca -0.04 0.19 -0.05 0.00 0.02 0.00 0.00 55.97 56.08 3m2p s LYS 194 Cb 0.00 -2.65 0.06 0.00 -0.52 0.00 0.00 37.83 34.72 3m2p s LYS 194 CO 0.11 0.29 0.27 1.03 -0.92 0.00 0.00 175.35 176.13 3m2p s ARG 195 N -3.03 0.19 -0.11 1.68 0.52 -0.80 -1.72 118.95 115.68 3m2p s ARG 195 Ca 0.46 0.67 -0.29 0.00 -0.52 0.00 0.00 55.73 56.04 3m2p s ARG 195 Cb -0.11 -0.06 -0.04 0.00 0.52 0.00 0.00 34.95 35.26 3m2p s ARG 195 CO 0.24 -0.22 1.52 -2.00 0.02 0.00 0.00 175.30 174.86 3m2p s GLU 196 N 1.85 4.15 -0.15 3.54 2.12 0.11 -2.01 118.70 128.31 3m2p s GLU 196 Ca -0.04 1.94 -0.03 0.00 0.36 0.00 0.00 54.97 57.20 3m2p s GLU 196 Cb -0.11 -3.92 -0.02 0.00 0.26 0.00 0.00 34.13 30.34 3m2p s GLU 196 CO -0.09 -0.86 -0.07 -0.06 -0.54 0.00 0.00 175.26 173.64 3m2p s PHE 197 N 4.01 2.95 -0.18 5.30 0.40 -0.49 -2.65 117.98 127.32 3m2p s PHE 197 Ca 0.67 -0.47 -0.02 0.00 -0.60 0.00 0.00 56.93 56.51 3m2p s PHE 197 Cb -0.28 -1.93 -0.01 0.00 0.51 0.00 0.00 43.02 41.30 3m2p s PHE 197 CO 0.25 -0.14 -0.09 -1.17 0.70 0.00 0.00 175.22 174.76 3m2p s LEU 198 N 0.47 2.76 0.09 -0.37 2.96 0.15 -4.62 118.68 120.11 3m2p s LEU 198 Ca -0.06 -0.38 -0.31 0.00 -0.22 0.00 0.00 54.13 53.17 3m2p s LEU 198 Cb -0.15 -1.66 -0.08 0.00 0.50 0.00 0.00 46.19 44.80 3m2p s LEU 198 CO 0.03 0.06 1.54 -0.47 -1.32 0.00 0.00 176.35 176.19 3m2p s TYR 199 N 0.96 2.80 0.39 5.38 5.04 -1.26 -2.87 117.35 127.80 3m2p s TYR 199 Ca -0.01 0.60 0.16 0.00 -2.44 0.00 0.00 57.07 55.38 3m2p s TYR 199 Cb -0.15 -3.84 1.05 0.00 0.35 0.00 0.00 41.96 39.36 3m2p s TYR 199 CO -0.01 -3.21 1.80 0.00 -1.34 0.00 0.00 175.55 172.79 3m2p h ALA 200 N 7.61 2.15 -0.41 3.97 0.00 -1.77 0.62 119.26 131.43 3m2p h ALA 200 Ca -0.42 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 3m2p h ALA 200 Cb 1.20 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 3m2p h ALA 200 CO 0.91 -0.50 0.06 -0.22 0.00 0.00 0.00 179.25 179.49 3m2p h LYS 201 N 0.45 0.62 -0.12 0.00 3.64 -1.90 0.13 116.57 119.40 3m2p h LYS 201 Ca 0.55 -0.12 -0.23 0.00 -1.27 0.00 0.00 60.65 59.58 3m2p h LYS 201 Cb 1.30 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 33.04 3m2p h LYS 201 CO -0.26 0.60 -0.81 -0.44 -2.27 0.00 0.00 179.45 176.27 3m2p h ASP 202 N 0.60 0.91 -0.14 4.20 3.32 -0.22 -2.11 116.42 122.99 3m2p h ASP 202 Ca 0.13 -0.65 0.04 0.00 0.02 0.00 0.00 57.03 56.57 3m2p h ASP 202 Cb 0.29 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.52 3m2p h ASP 202 CO 0.00 1.43 -0.16 0.00 -1.72 0.00 0.00 179.24 178.79 3m2p h ALA 203 N 0.51 -0.08 0.16 3.45 0.00 -0.62 -1.25 119.26 121.44 3m2p h ALA 203 Ca -0.07 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3m2p h ALA 203 Cb 1.45 0.32 -0.05 0.00 0.00 0.00 0.00 17.79 19.52 3m2p h ALA 203 CO 0.17 -0.61 -0.51 0.00 0.00 0.00 0.00 179.25 178.29 3m2p h ALA 204 N 0.86 -0.98 -0.99 0.00 0.00 -0.75 -0.57 119.26 116.83 3m2p h ALA 204 Ca 0.10 -0.11 0.35 0.00 0.00 0.00 0.00 54.91 55.25 3m2p h ALA 204 Cb 0.34 0.86 -0.18 0.00 0.00 0.00 0.00 17.79 18.81 3m2p h ALA 204 CO -0.25 -1.12 0.36 -0.22 0.00 0.00 0.00 179.25 178.02 3m2p h LYS 205 N -0.77 0.05 0.00 0.00 3.64 -1.10 0.67 116.57 119.05 3m2p h LYS 205 Ca -0.01 -0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.27 3m2p h LYS 205 Cb 0.77 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 3m2p h LYS 205 CO -0.26 0.03 -0.45 0.66 -2.27 0.00 0.00 179.45 177.16 3m2p h SER 206 N 0.05 0.00 -0.44 4.20 4.64 0.10 -1.61 113.55 120.49 3m2p h SER 206 Ca 0.74 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 62.01 3m2p h SER 206 Cb 1.80 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.87 3m2p h SER 206 CO -0.79 0.45 0.10 0.58 -0.87 0.00 0.00 176.83 176.30 3m2p h VAL 207 N 0.00 1.24 -0.42 0.95 2.07 0.97 -0.39 116.25 120.66 3m2p h VAL 207 Ca -0.00 -0.84 -0.00 0.00 0.82 0.00 0.00 66.70 66.67 3m2p h VAL 207 Cb 0.81 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 3m2p h VAL 207 CO 0.06 0.29 0.25 0.40 0.02 0.00 0.00 177.57 178.59 3m2p h ILE 208 N 0.58 1.14 -0.48 4.57 1.08 -0.99 -1.02 117.51 122.38 3m2p h ILE 208 Ca 0.14 -0.32 -0.11 0.00 -0.39 0.00 0.00 64.86 64.17 3m2p h ILE 208 Cb 0.34 0.60 -0.02 0.00 -3.07 0.00 0.00 36.82 34.67 3m2p h ILE 208 CO 0.00 0.14 -0.15 1.88 -0.69 0.00 0.00 178.15 179.33 3m2p h TYR 209 N 0.55 1.04 -0.53 1.37 -1.99 -1.25 -2.00 116.97 114.16 3m2p h TYR 209 Ca 0.15 -0.22 0.00 0.00 2.00 0.00 0.00 58.73 60.66 3m2p h TYR 209 Cb 0.01 -0.26 -0.03 0.00 2.00 0.00 0.00 36.73 38.46 3m2p h TYR 209 CO -0.03 1.01 0.34 0.00 -0.00 0.00 0.00 178.16 179.47 3m2p h ALA 210 N 1.00 0.67 -0.49 3.88 0.00 -0.93 -3.04 119.26 120.34 3m2p h ALA 210 Ca 0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3m2p h ALA 210 Cb 0.69 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3m2p h ALA 210 CO 0.05 0.13 0.26 -0.07 0.00 0.00 0.00 179.25 179.62 3m2p h LEU 211 N 0.71 0.60 -2.64 0.00 3.38 -0.81 -1.39 115.31 115.15 3m2p h LEU 211 Ca 0.19 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 3m2p h LEU 211 Cb -0.06 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 3m2p h LEU 211 CO -0.04 0.49 -0.01 0.11 0.09 0.00 0.00 178.44 179.08 3m2p h LYS 212 N 0.68 0.00 -2.24 1.13 1.57 -1.25 -3.05 116.57 113.41 3m2p h LYS 212 Ca 0.18 0.00 -0.76 0.00 -1.87 0.00 0.00 60.65 58.19 3m2p h LYS 212 Cb 0.03 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 32.10 3m2p h LYS 212 CO -0.03 0.01 1.23 1.04 -0.57 0.00 0.00 179.45 181.13 3m2p n GLN 213 N -3.49 4.43 0.00 3.15 1.13 -0.53 -4.82 117.38 117.25 3m2p n GLN 213 Ca -0.03 -4.00 0.01 0.00 -1.94 0.00 0.00 57.00 51.04 3m2p n GLN 213 Cb 0.09 -2.42 0.04 0.00 0.11 0.00 0.00 30.24 28.06 3m2p n GLN 213 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 3m2p n GLU 214 N 0.22 0.04 -0.04 -1.09 0.28 -1.16 -0.98 120.64 117.91 3m2p n GLU 214 Ca 0.51 0.02 -0.02 0.00 -0.16 0.00 0.00 57.16 57.51 3m2p n GLU 214 Cb 0.27 -1.50 -0.09 0.00 1.43 0.00 0.00 31.44 31.56 3m2p n GLU 214 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 3m2p n LYS 215 N -1.02 1.65 -2.27 3.44 3.00 -1.26 -4.41 118.16 117.29 3m2p n LYS 215 Ca 0.01 -0.04 -0.37 0.00 -0.00 0.00 0.00 58.31 57.91 3m2p n LYS 215 Cb 0.00 -1.29 -0.01 0.00 0.00 0.00 0.00 35.03 33.74 3m2p n LYS 215 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3m2p s VAL 216 N -2.44 3.13 0.03 3.15 1.01 -0.15 -4.90 120.40 120.23 3m2p s VAL 216 Ca -0.05 0.85 -0.01 0.00 0.00 0.00 0.00 61.98 62.76 3m2p s VAL 216 Cb 0.05 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 3m2p s VAL 216 CO 0.47 -0.01 -0.01 -0.94 0.00 0.00 0.00 175.10 174.61 3m2p s SER 217 N -1.37 0.31 0.00 3.32 1.04 -1.26 -4.47 113.70 111.27 3m2p s SER 217 Ca 0.63 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 56.39 3m2p s SER 217 Cb -0.28 0.16 0.00 0.00 0.10 0.00 0.00 66.02 65.99 3m2p s SER 217 CO 0.34 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 174.73 3m2p n GLY 218 N 0.94 0.94 3.55 7.32 0.00 -0.93 -4.97 105.19 112.04 3m2p n GLY 218 Ca -0.20 -1.99 -0.35 0.00 0.00 0.00 0.00 46.02 43.49 3m2p n GLY 218 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3m2p s THR 219 N -1.38 4.41 -0.06 2.61 2.01 -1.26 -1.06 115.64 120.91 3m2p s THR 219 Ca 0.00 -0.16 0.04 0.00 0.31 0.00 0.00 61.69 61.88 3m2p s THR 219 Cb 0.00 -2.99 -0.00 0.00 0.01 0.00 0.00 72.50 69.52 3m2p s THR 219 CO 0.00 0.44 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.82 3m2p s PHE 220 N 0.69 1.95 -0.13 4.92 0.40 0.07 -4.94 117.98 120.94 3m2p s PHE 220 Ca 0.02 -0.65 -0.29 0.00 -0.60 0.00 0.00 56.93 55.41 3m2p s PHE 220 Cb -0.14 -1.32 -0.02 0.00 0.51 0.00 0.00 43.02 42.06 3m2p s PHE 220 CO 0.02 -0.24 1.19 -0.80 0.70 0.00 0.00 175.22 176.08 3m2p s ASN 221 N 0.18 7.03 -0.44 1.36 0.02 -1.26 0.75 114.94 122.57 3m2p s ASN 221 Ca -0.09 1.68 -0.02 0.00 -1.02 0.00 0.00 52.86 53.41 3m2p s ASN 221 Cb -0.14 -2.55 0.12 0.00 0.02 0.00 0.00 41.25 38.70 3m2p s ASN 221 CO 0.04 -0.66 0.24 -0.63 0.02 0.00 0.00 177.10 176.11 3m2p s ILE 222 N 2.88 3.29 0.32 0.60 -1.09 -0.43 -4.60 121.20 122.18 3m2p s ILE 222 Ca 0.53 -2.25 0.02 0.00 -2.23 0.00 0.00 60.65 56.72 3m2p s ILE 222 Cb -0.22 -3.25 -0.01 0.00 -1.58 0.00 0.00 42.46 37.41 3m2p s ILE 222 CO 0.16 -0.72 0.07 0.61 -1.23 0.00 0.00 174.94 173.83 3m2p n GLY 223 N 4.36 3.56 0.00 6.18 0.00 -1.26 -2.06 105.19 115.98 3m2p n GLY 223 Ca -0.00 -2.15 0.03 0.00 0.00 0.00 0.00 46.02 43.89 3m2p n GLY 223 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3m2p n SER 224 N -1.52 3.80 0.00 1.61 3.41 -1.26 -4.70 113.62 114.96 3m2p n SER 224 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 3m2p n SER 224 Cb 0.45 1.23 0.00 0.00 -0.26 0.00 0.00 64.21 65.64 3m2p n SER 224 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3m2p n GLY 225 N 2.21 1.09 3.49 5.00 0.00 -1.26 -4.83 105.19 110.89 3m2p n GLY 225 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 3m2p n GLY 225 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3m2p s ASP 226 N -2.88 6.81 -0.59 1.61 1.01 -1.26 -4.96 116.67 116.40 3m2p s ASP 226 Ca 0.00 -2.37 -0.19 0.00 0.71 0.00 0.00 52.55 50.70 3m2p s ASP 226 Cb 0.00 -2.46 0.10 0.00 1.01 0.00 0.00 42.92 41.58 3m2p s ASP 226 CO 0.00 -1.03 0.71 0.00 0.21 0.00 0.00 175.17 175.06 3m2p s ALA 227 N 2.90 3.41 -0.11 5.23 0.00 -1.26 -1.40 121.76 130.53 3m2p s ALA 227 Ca 0.42 -2.23 0.01 0.00 0.00 0.00 0.00 51.96 50.17 3m2p s ALA 227 Cb -0.02 -3.54 -0.02 0.00 0.00 0.00 0.00 23.12 19.55 3m2p s ALA 227 CO -0.03 -2.36 -0.15 -0.51 0.00 0.00 0.00 175.76 172.71 3m2p s LEU 228 N 2.71 2.62 0.61 0.00 1.43 -0.85 -4.57 118.68 120.62 3m2p s LEU 228 Ca 0.12 -0.34 -0.17 0.00 -1.03 0.00 0.00 54.13 52.71 3m2p s LEU 228 Cb -0.24 -1.56 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 3m2p s LEU 228 CO 0.06 0.21 1.10 0.42 0.23 0.00 0.00 176.35 178.37 3m2p s THR 229 N 0.10 3.35 0.58 5.49 -4.23 -1.26 -1.90 115.64 117.77 3m2p s THR 229 Ca -0.07 0.70 0.27 0.00 -1.18 0.00 0.00 61.69 61.41 3m2p s THR 229 Cb -0.15 -3.22 0.36 0.00 1.34 0.00 0.00 72.50 70.83 3m2p s THR 229 CO 0.05 -0.32 2.08 0.78 -0.54 0.00 0.00 174.62 176.67 3m2p h ASN 230 N 0.51 0.00 0.59 3.99 -0.26 -1.98 -1.03 115.58 117.40 3m2p h ASN 230 Ca -0.48 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.24 3m2p h ASN 230 Cb 1.24 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.50 3m2p h ASN 230 CO 0.56 0.00 -0.36 0.22 -1.06 0.00 0.00 177.43 176.79 3m2p h TYR 231 N 0.00 -0.94 -0.93 1.19 -0.00 -1.94 -1.93 116.97 112.42 3m2p h TYR 231 Ca 0.11 -0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.83 3m2p h TYR 231 Cb 0.54 0.33 -0.05 0.00 -0.00 0.00 0.00 36.73 37.56 3m2p h TYR 231 CO 0.00 -0.54 0.60 0.93 -0.00 0.00 0.00 178.16 179.15 3m2p h GLU 232 N -0.89 1.24 0.15 1.82 5.08 -1.58 -2.03 114.58 118.37 3m2p h GLU 232 Ca -0.07 -0.09 0.01 0.00 -1.00 0.00 0.00 59.36 58.21 3m2p h GLU 232 Cb 0.72 -0.27 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 3m2p h GLU 232 CO 0.08 0.84 -0.24 0.28 -1.00 0.00 0.00 179.01 178.97 3m2p h VAL 233 N 1.28 0.47 0.02 3.13 2.07 -1.18 -0.68 116.25 121.35 3m2p h VAL 233 Ca 0.34 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.89 3m2p h VAL 233 Cb -0.11 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.08 3m2p h VAL 233 CO -0.07 0.00 -0.27 0.00 0.02 0.00 0.00 177.57 177.25 3m2p h ALA 234 N 0.27 -0.38 -0.27 1.67 0.00 -1.07 -2.84 119.26 116.64 3m2p h ALA 234 Ca 0.02 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.98 3m2p h ALA 234 Cb 0.47 0.46 -0.08 0.00 0.00 0.00 0.00 17.79 18.64 3m2p h ALA 234 CO -0.12 -0.77 -0.40 -0.91 0.00 0.00 0.00 179.25 177.05 3m2p h ASN 235 N -0.42 -1.28 -0.87 0.00 2.35 -1.05 -1.19 115.58 113.12 3m2p h ASN 235 Ca 0.06 0.19 0.13 0.00 -0.55 0.00 0.00 56.30 56.13 3m2p h ASN 235 Cb 0.49 0.55 -0.07 0.00 0.05 0.00 0.00 38.32 39.35 3m2p h ASN 235 CO -0.22 -0.38 0.56 0.74 -1.65 0.00 0.00 177.43 176.48 3m2p h THR 236 N -0.38 0.86 0.05 2.81 2.02 -1.02 -1.76 112.91 115.50 3m2p h THR 236 Ca 0.12 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 3m2p h THR 236 Cb 0.59 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 3m2p h THR 236 CO -0.48 0.13 -0.03 0.40 0.37 0.00 0.00 175.52 175.92 3m2p h ILE 237 N 0.71 1.26 -0.73 3.11 2.04 -1.13 -2.79 117.51 119.99 3m2p h ILE 237 Ca 0.43 -1.14 0.15 0.00 1.00 0.00 0.00 64.86 65.30 3m2p h ILE 237 Cb 0.65 2.00 -0.14 0.00 -0.74 0.00 0.00 36.82 38.59 3m2p h ILE 237 CO -0.19 0.28 -0.19 0.78 0.00 0.00 0.00 178.15 178.83 3m2p h ASN 238 N -0.59 -0.69 0.02 1.72 -0.26 -0.42 -1.38 115.58 113.98 3m2p h ASN 238 Ca -0.01 0.22 -0.00 0.00 -0.56 0.00 0.00 56.30 55.95 3m2p h ASN 238 Cb 0.52 0.46 0.00 0.00 -1.06 0.00 0.00 38.32 38.23 3m2p h ASN 238 CO 0.01 -0.24 -0.01 0.78 -1.06 0.00 0.00 177.43 176.91 3m2p h ASN 239 N -0.00 -0.03 0.61 5.81 4.21 -1.39 0.56 115.58 125.35 3m2p h ASN 239 Ca 0.35 -0.18 0.00 0.00 1.21 0.00 0.00 56.30 57.68 3m2p h ASN 239 Cb 0.54 0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.74 3m2p h ASN 239 CO -0.75 0.17 0.00 0.00 -1.29 0.00 0.00 177.43 175.55 3m2p n ALA 240 N -2.20 1.82 -0.06 -0.83 0.00 -1.03 -3.36 120.51 114.86 3m2p n ALA 240 Ca -0.08 -0.06 -0.07 0.00 0.00 0.00 0.00 53.44 53.23 3m2p n ALA 240 Cb 0.12 -1.29 -0.07 0.00 0.00 0.00 0.00 19.45 18.21 3m2p n ALA 240 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3m2p n PHE 241 N -1.50 0.00 0.00 0.00 3.01 -0.55 -4.84 117.46 113.58 3m2p n PHE 241 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.50 3m2p n PHE 241 Cb 0.21 -0.51 0.00 0.00 -0.01 0.00 0.00 39.48 39.17 3m2p n PHE 241 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3m2p n GLY 242 N 2.57 3.41 0.00 1.37 0.00 0.19 -5.08 105.19 107.65 3m2p n GLY 242 Ca -0.20 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.80 3m2p n GLY 242 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3m2p n ASN 243 N 0.00 0.00 0.00 1.61 5.15 -1.11 -4.79 115.26 116.11 3m2p n ASN 243 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 3m2p n ASN 243 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 3m2p n ASN 243 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 3m2p n ILE 258 N 0.00 0.00 -4.32 -1.44 5.41 -1.26 -4.86 119.36 112.90 3m2p n ILE 258 Ca 0.00 0.00 -0.27 0.00 1.00 0.00 0.00 62.75 63.48 3m2p n ILE 258 Cb 0.00 0.00 -0.10 0.00 -0.71 0.00 0.00 39.64 38.83 3m2p n ILE 258 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 3m2p s HIS 259 N -0.65 2.54 0.17 1.39 3.76 -1.26 -5.00 115.29 116.25 3m2p s HIS 259 Ca 0.00 -0.26 -0.30 0.00 -0.15 0.00 0.00 55.06 54.35 3m2p s HIS 259 Cb 0.00 -1.27 -0.08 0.00 1.11 0.00 0.00 32.58 32.34 3m2p s HIS 259 CO 0.00 0.48 1.12 -1.12 -0.85 0.00 0.00 174.74 174.37 3m2p s SER 260 N -2.62 7.22 -0.19 1.40 0.01 -1.26 -4.82 113.70 113.43 3m2p s SER 260 Ca 0.22 2.11 -0.08 0.00 1.31 0.00 0.00 55.95 59.52 3m2p s SER 260 Cb -0.09 -2.60 0.08 0.00 0.21 0.00 0.00 66.02 63.62 3m2p s SER 260 CO 0.13 -0.26 0.42 -0.94 0.41 0.00 0.00 173.24 173.00 3m2p s SER 261 N -0.01 -0.33 0.02 2.44 1.04 -0.70 -4.79 113.70 111.36 3m2p s SER 261 Ca 0.50 0.98 -0.01 0.00 0.48 0.00 0.00 55.95 57.91 3m2p s SER 261 Cb -0.30 1.22 0.00 0.00 0.10 0.00 0.00 66.02 67.04 3m2p s SER 261 CO 0.35 -0.22 0.04 0.00 0.98 0.00 0.00 173.24 174.39 3m2p n TYR 262 N 5.11 -0.99 -4.59 5.02 4.11 -1.26 0.08 117.16 124.64 3m2p n TYR 262 Ca -0.12 -0.09 -0.33 0.00 -0.00 0.00 0.00 57.90 57.36 3m2p n TYR 262 Cb 0.51 0.04 -0.15 0.00 -0.00 0.00 0.00 39.34 39.74 3m2p n TYR 262 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 3m2p s ASP 264 N -1.10 3.66 -0.23 9.48 2.15 -0.22 -2.91 116.67 127.50 3m2p s ASP 264 Ca 0.01 -0.46 0.11 0.00 0.43 0.00 0.00 52.55 52.63 3m2p s ASP 264 Cb -0.00 -1.56 0.44 0.00 -0.30 0.00 0.00 42.92 41.50 3m2p s ASP 264 CO 0.01 0.10 1.29 -1.20 -0.17 0.00 0.00 175.17 175.19 3m2p n SER 265 N 3.98 1.95 -0.36 -0.34 7.64 -1.26 -4.60 113.62 120.63 3m2p n SER 265 Ca -0.19 -3.85 0.05 0.00 1.01 0.00 0.00 58.87 55.90 3m2p n SER 265 Cb 0.52 -0.56 0.21 0.00 -1.01 0.00 0.00 64.21 63.37 3m2p n SER 265 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3m2p h SER 266 N 0.98 0.94 -0.76 6.43 0.02 -1.97 -2.87 113.55 116.31 3m2p h SER 266 Ca 0.06 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3m2p h SER 266 Cb 1.19 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 63.54 3m2p h SER 266 CO 0.11 0.53 0.47 0.50 -1.14 0.00 0.00 176.83 177.30 3m2p h LYS 267 N 1.03 1.03 0.04 3.45 3.64 -1.91 -2.42 116.57 121.43 3m2p h LYS 267 Ca 0.47 -0.08 -0.18 0.00 -1.27 0.00 0.00 60.65 59.59 3m2p h LYS 267 Cb 0.38 -0.22 0.02 0.00 -0.41 0.00 0.00 32.23 32.00 3m2p h LYS 267 CO -0.24 0.71 -0.71 0.00 -2.27 0.00 0.00 179.45 176.94 3m2p h ALA 268 N 1.47 0.03 0.00 5.00 0.00 -1.76 -0.39 119.26 123.61 3m2p h ALA 268 Ca 0.28 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3m2p h ALA 268 Cb -0.06 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3m2p h ALA 268 CO -0.05 0.39 0.00 1.17 0.00 0.00 0.00 179.25 180.75 3m2p n LYS 269 N -4.16 0.04 -0.00 0.00 3.00 -1.10 -1.12 118.16 114.81 3m2p n LYS 269 Ca -0.11 0.29 -0.00 0.00 -0.00 0.00 0.00 58.31 58.49 3m2p n LYS 269 Cb 0.74 -1.50 -0.00 0.00 0.00 0.00 0.00 35.03 34.27 3m2p n LYS 269 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 3m2p n GLU 270 N -1.33 3.19 0.00 1.64 2.13 -0.93 -4.24 120.64 121.10 3m2p n GLU 270 Ca 0.01 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.86 3m2p n GLU 270 Cb 0.03 -1.01 0.01 0.00 0.27 0.00 0.00 31.44 30.74 3m2p n GLU 270 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3m2p n LEU 271 N -2.11 1.19 0.00 4.31 4.77 -0.17 -4.63 117.00 120.37 3m2p n LEU 271 Ca -0.01 -0.91 0.00 0.00 -0.03 0.00 0.00 56.01 55.06 3m2p n LEU 271 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3m2p n LEU 271 CO 0.01 0.26 -0.05 0.18 -1.33 0.00 0.00 177.39 176.45 3m2p n LEU 272 N 0.03 0.00 -1.96 2.23 4.32 -0.28 -5.02 117.00 116.32 3m2p n LEU 272 Ca 0.02 -0.08 -0.16 0.00 -0.02 0.00 0.00 56.01 55.77 3m2p n LEU 272 Cb 0.11 0.00 -0.00 0.00 -1.62 0.00 0.00 43.42 41.91 3m2p n LEU 272 CO 0.04 0.00 -0.16 -0.67 -1.22 0.00 0.00 177.39 175.38 3m2p n ASP 273 N -0.31 -4.88 -4.80 -1.43 2.03 -0.59 -4.75 116.55 101.82 3m2p n ASP 273 Ca 0.00 -0.06 -0.38 0.00 0.52 0.00 0.00 54.79 54.87 3m2p n ASP 273 Cb 0.00 -3.94 -0.06 0.00 -0.72 0.00 0.00 41.12 36.40 3m2p n ASP 273 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 3m2p s PHE 274 N -2.86 3.63 -0.13 -0.67 5.36 -0.95 -4.90 117.98 117.46 3m2p s PHE 274 Ca 0.05 0.87 -0.27 0.00 -0.96 0.00 0.00 56.93 56.61 3m2p s PHE 274 Cb -0.02 -2.33 0.07 0.00 -0.34 0.00 0.00 43.02 40.40 3m2p s PHE 274 CO 0.06 0.48 0.66 -1.54 -1.46 0.00 0.00 175.22 173.42 3m2p s SER 275 N -0.44 -0.66 0.33 6.13 1.04 -1.26 -3.11 113.70 115.73 3m2p s SER 275 Ca 0.22 0.94 -0.27 0.00 0.48 0.00 0.00 55.95 57.32 3m2p s SER 275 Cb -0.15 0.86 -0.09 0.00 0.10 0.00 0.00 66.02 66.73 3m2p s SER 275 CO 0.10 -0.46 1.04 0.42 0.98 0.00 0.00 173.24 175.33 3m2p s THR 276 N -0.60 3.72 0.09 2.02 -4.23 -1.26 -4.97 115.64 110.41 3m2p s THR 276 Ca -0.07 1.53 -0.12 0.00 -1.18 0.00 0.00 61.69 61.85 3m2p s THR 276 Cb -0.02 -3.89 -0.20 0.00 1.34 0.00 0.00 72.50 69.73 3m2p s THR 276 CO 0.06 0.21 1.25 0.44 -0.54 0.00 0.00 174.62 176.04 3m2p h ASP 277 N 3.26 0.90 -2.27 3.99 3.32 -1.97 -3.46 116.42 120.19 3m2p h ASP 277 Ca -0.47 -0.66 -0.49 0.00 0.02 0.00 0.00 57.03 55.42 3m2p h ASP 277 Cb 1.21 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.46 3m2p h ASP 277 CO 0.65 1.46 -0.48 -0.31 -1.72 0.00 0.00 179.24 178.84 3m2p s TYR 278 N -3.49 3.31 0.47 4.55 1.51 -1.26 -5.06 117.35 117.37 3m2p s TYR 278 Ca -0.10 -0.04 0.06 0.00 -1.01 0.00 0.00 57.07 55.98 3m2p s TYR 278 Cb 0.08 -1.51 -0.01 0.00 -0.11 0.00 0.00 41.96 40.40 3m2p s TYR 278 CO 0.91 0.48 0.25 0.54 -1.11 0.00 0.00 175.55 176.63 3m2p s ASN 279 N -3.79 4.52 0.42 2.29 2.20 -1.26 -4.95 114.94 114.37 3m2p s ASN 279 Ca 0.33 -1.18 0.14 0.00 -0.94 0.00 0.00 52.86 51.22 3m2p s ASN 279 Cb -0.09 -0.05 1.02 0.00 -2.00 0.00 0.00 41.25 40.13 3m2p s ASN 279 CO 0.27 -0.79 1.93 0.15 -2.94 0.00 0.00 177.10 175.72 3m2p h PHE 280 N 1.14 0.51 -0.24 1.54 3.04 -1.96 -1.74 116.94 119.23 3m2p h PHE 280 Ca -0.41 0.01 -0.08 0.00 3.98 0.00 0.00 57.97 61.48 3m2p h PHE 280 Cb 1.28 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 39.62 3m2p h PHE 280 CO 0.85 0.21 -0.17 0.00 -2.02 0.00 0.00 178.31 177.19 3m2p h ALA 281 N 1.65 0.35 -0.11 2.41 0.00 -1.95 -2.72 119.26 118.89 3m2p h ALA 281 Ca 0.35 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 3m2p h ALA 281 Cb 0.74 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3m2p h ALA 281 CO -0.11 0.25 -0.52 1.15 0.00 0.00 0.00 179.25 180.03 3m2p h THR 282 N 0.26 1.35 0.04 0.00 2.02 -1.75 -2.93 112.91 111.89 3m2p h THR 282 Ca 0.05 -1.77 -0.26 0.00 0.77 0.00 0.00 66.41 65.20 3m2p h THR 282 Cb 0.69 1.83 0.01 0.00 -1.74 0.00 0.00 68.15 68.95 3m2p h THR 282 CO 0.05 0.53 -1.06 0.00 0.37 0.00 0.00 175.52 175.41 3m2p h ALA 283 N 1.21 0.19 0.14 6.16 0.00 -1.38 -3.08 119.26 122.51 3m2p h ALA 283 Ca 0.01 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.19 3m2p h ALA 283 Cb 0.99 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3m2p h ALA 283 CO 0.08 0.76 -0.12 0.28 0.00 0.00 0.00 179.25 180.25 3m2p h VAL 284 N 0.28 0.72 -0.97 0.00 2.07 -1.54 -1.16 116.25 115.66 3m2p h VAL 284 Ca -0.12 0.00 0.31 0.00 0.82 0.00 0.00 66.70 67.71 3m2p h VAL 284 Cb 1.72 0.72 -0.16 0.00 -1.52 0.00 0.00 31.29 32.05 3m2p h VAL 284 CO 0.20 0.00 0.39 -0.33 0.02 0.00 0.00 177.57 177.85 3m2p h GLU 285 N -0.28 0.17 -0.01 1.57 5.08 -1.52 0.76 114.58 120.33 3m2p h GLU 285 Ca -0.00 -0.01 -0.26 0.00 -1.00 0.00 0.00 59.36 58.09 3m2p h GLU 285 Cb 0.26 -0.04 0.02 0.00 0.50 0.00 0.00 28.75 29.49 3m2p h GLU 285 CO -0.02 0.11 -1.01 1.49 -1.00 0.00 0.00 179.01 178.58 3m2p h GLU 286 N 0.17 0.67 -0.61 2.33 4.81 -1.36 -3.05 114.58 117.54 3m2p h GLU 286 Ca 0.69 -0.71 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 3m2p h GLU 286 Cb 1.59 0.20 -0.03 0.00 0.63 0.00 0.00 28.75 31.14 3m2p h GLU 286 CO -0.71 1.29 0.27 0.82 -0.73 0.00 0.00 179.01 179.95 3m2p h ILE 287 N 0.39 1.22 -0.14 2.32 2.04 0.32 -1.96 117.51 121.70 3m2p h ILE 287 Ca -0.12 -0.66 0.02 0.00 1.00 0.00 0.00 64.86 65.11 3m2p h ILE 287 Cb 1.65 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 38.23 3m2p h ILE 287 CO 0.20 0.26 -0.28 -0.74 0.00 0.00 0.00 178.15 177.58 3m2p h HIS 288 N 0.84 -0.86 -0.81 1.37 2.76 -1.08 -2.18 115.15 115.18 3m2p h HIS 288 Ca 0.21 0.04 0.20 0.00 -2.20 0.00 0.00 60.37 58.61 3m2p h HIS 288 Cb 0.16 0.39 -0.13 0.00 1.55 0.00 0.00 27.41 29.38 3m2p h HIS 288 CO 0.01 -0.27 0.18 -0.07 -1.30 0.00 0.00 177.93 176.48 3m2p h LEU 289 N -0.25 -0.04 -3.72 0.26 -0.00 -1.41 -2.94 115.31 107.21 3m2p h LEU 289 Ca 0.03 0.18 -0.01 0.00 -0.00 0.00 0.00 57.88 58.08 3m2p h LEU 289 Cb 0.33 0.25 -0.00 0.00 -0.00 0.00 0.00 40.66 41.24 3m2p h LEU 289 CO -0.27 -0.11 0.02 0.18 -0.00 0.00 0.00 178.44 178.26 3m2p n LEU 290 N -5.21 2.09 -0.56 1.67 4.77 -0.75 -4.24 117.00 114.76 3m2p n LEU 290 Ca 0.18 -1.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.14 3m2p n LEU 290 Cb 0.57 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3m2p n LEU 290 CO 0.08 0.39 0.00 0.54 -1.33 0.00 0.00 177.39 177.07 3m2p n ARG 292 N 1.92 -0.57 0.00 3.23 1.74 -1.11 -5.09 116.66 116.78 3m2p n ARG 292 Ca 0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 3m2p n ARG 292 Cb 0.21 -2.25 0.00 0.00 -1.02 0.00 0.00 32.46 29.40 3m2p n ARG 292 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52