#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p72 s ILE 6 N 4.79 3.79 -0.19 0.00 1.01 -1.26 -1.32 121.20 128.03 2p72 s ILE 6 Ca 0.62 -0.43 0.01 0.00 0.00 0.00 0.00 60.65 60.84 2p72 s ILE 6 Cb -0.19 -2.58 0.02 0.00 0.01 0.00 0.00 42.46 39.72 2p72 s ILE 6 CO 0.26 0.57 -0.18 -0.89 0.00 0.00 0.00 174.94 174.71 2p72 s THR 7 N -0.52 2.16 -0.09 2.92 2.01 -0.46 -1.30 115.64 120.37 2p72 s THR 7 Ca 0.08 -0.97 -0.18 0.00 0.31 0.00 0.00 61.69 60.94 2p72 s THR 7 Cb -0.12 -1.94 -0.05 0.00 0.01 0.00 0.00 72.50 70.40 2p72 s THR 7 CO 0.02 0.48 0.47 -0.63 -0.69 0.00 0.00 174.62 174.27 2p72 s ILE 8 N 1.29 5.14 0.09 1.82 1.01 0.15 -0.34 121.20 130.36 2p72 s ILE 8 Ca 0.04 0.94 0.06 0.00 0.00 0.00 0.00 60.65 61.69 2p72 s ILE 8 Cb -0.14 -3.80 -0.03 0.00 0.01 0.00 0.00 42.46 38.50 2p72 s ILE 8 CO -0.12 0.38 -0.16 -1.48 0.00 0.00 0.00 174.94 173.56 2p72 s LEU 9 N 0.27 2.30 0.00 2.97 2.34 0.42 -0.67 118.68 126.31 2p72 s LEU 9 Ca 0.26 -0.66 -0.15 0.00 0.06 0.00 0.00 54.13 53.64 2p72 s LEU 9 Cb -0.16 -0.63 0.06 0.00 -0.56 0.00 0.00 46.19 44.91 2p72 s LEU 9 CO 0.11 -0.04 0.78 -0.24 -1.06 0.00 0.00 176.35 175.90 2p72 n SER 10 N 1.14 -2.27 -3.59 1.48 2.88 -0.43 -1.89 113.62 110.94 2p72 n SER 10 Ca -0.20 -2.59 -0.09 0.00 -1.33 0.00 0.00 58.87 54.66 2p72 n SER 10 Cb 0.54 3.79 -0.05 0.00 -0.75 0.00 0.00 64.21 67.74 2p72 n SER 10 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2p72 s GLY 11 N -3.05 -0.21 -0.29 0.46 0.00 -1.26 -0.62 107.32 102.34 2p72 s GLY 11 Ca 0.16 2.17 -0.16 0.00 0.00 0.00 0.00 44.72 46.90 2p72 s GLY 11 CO 0.12 1.09 0.80 -1.58 0.00 0.00 0.00 173.10 173.53 2p72 s HIS 12 N -1.02 -0.89 -1.00 1.90 2.46 -1.01 -4.42 115.29 111.31 2p72 s HIS 12 Ca -0.00 1.75 -0.04 0.00 0.47 0.00 0.00 55.06 57.24 2p72 s HIS 12 Cb -0.01 0.53 0.26 0.00 -0.13 0.00 0.00 32.58 33.24 2p72 s HIS 12 CO -0.00 -0.44 1.05 0.34 -2.47 0.00 0.00 174.74 173.22 2p72 n PHE 13 N 4.21 4.15 0.00 3.88 -0.00 -1.26 -4.57 117.46 123.86 2p72 n PHE 13 Ca -0.18 -3.73 0.00 0.00 -0.00 0.00 0.00 57.45 53.54 2p72 n PHE 13 Cb 0.58 -1.32 0.00 0.00 -0.00 0.00 0.00 39.48 38.73 2p72 n PHE 13 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 2p72 n THR 17 N 2.11 0.00 0.48 -2.13 -1.04 -1.26 -5.15 114.28 107.28 2p72 n THR 17 Ca 0.24 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 62.06 2p72 n THR 17 Cb 0.37 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.79 2p72 n THR 17 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 2p72 h ILE 18 N 0.00 0.04 -0.80 12.58 2.04 -1.99 -2.42 117.51 126.96 2p72 h ILE 18 Ca 0.00 -0.07 0.16 0.00 1.00 0.00 0.00 64.86 65.95 2p72 h ILE 18 Cb 0.00 0.05 -0.10 0.00 -0.74 0.00 0.00 36.82 36.03 2p72 h ILE 18 CO 0.00 0.00 0.34 0.10 0.00 0.00 0.00 178.15 178.59 2p72 h TYR 19 N -1.29 0.58 0.00 1.37 -0.00 -1.90 -0.02 116.97 115.70 2p72 h TYR 19 Ca -0.13 0.04 -0.08 0.00 0.00 0.00 0.00 58.73 58.56 2p72 h TYR 19 Cb 0.94 -0.13 -0.01 0.00 0.00 0.00 0.00 36.73 37.53 2p72 h TYR 19 CO -0.00 0.06 -0.40 0.00 -0.00 0.00 0.00 178.16 177.82 2p72 h ALA 20 N 1.58 1.32 -0.18 0.10 0.00 -1.79 0.51 119.26 120.79 2p72 h ALA 20 Ca 0.45 -0.37 -0.22 0.00 0.00 0.00 0.00 54.91 54.78 2p72 h ALA 20 Cb 0.71 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.44 2p72 h ALA 20 CO -0.42 0.51 -0.73 -0.09 0.00 0.00 0.00 179.25 178.51 2p72 h ARG 21 N 0.00 0.81 -0.31 0.00 2.43 -0.57 -2.65 114.38 114.09 2p72 h ARG 21 Ca -0.00 -0.63 -0.06 0.00 -0.81 0.00 0.00 59.98 58.47 2p72 h ARG 21 Cb 0.72 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.38 2p72 h ARG 21 CO 0.05 1.24 -0.06 0.87 -1.51 0.00 0.00 179.97 180.57 2p72 h LYS 22 N 0.57 0.58 -0.70 0.20 1.79 -0.53 -0.81 116.57 117.68 2p72 h LYS 22 Ca -0.04 -0.22 -0.02 0.00 -2.18 0.00 0.00 60.65 58.20 2p72 h LYS 22 Cb 1.35 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.93 2p72 h LYS 22 CO 0.15 0.76 0.37 1.79 -1.08 0.00 0.00 179.45 181.45 2p72 h THR 23 N 0.36 1.22 0.04 -0.16 1.35 -1.03 -2.30 112.91 112.39 2p72 h THR 23 Ca 0.08 -0.56 0.03 0.00 -0.55 0.00 0.00 66.41 65.41 2p72 h THR 23 Cb 0.53 0.31 -0.04 0.00 -1.73 0.00 0.00 68.15 67.22 2p72 h THR 23 CO 0.03 0.24 -0.30 0.50 -0.25 0.00 0.00 175.52 175.74 2p72 h LYS 24 N 0.96 -0.46 -0.49 4.72 3.64 -1.27 -1.21 116.57 122.46 2p72 h LYS 24 Ca 0.24 0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.75 2p72 h LYS 24 Cb 0.05 0.10 -0.10 0.00 -0.41 0.00 0.00 32.23 31.87 2p72 h LYS 24 CO -0.04 -0.31 -0.28 0.93 -2.27 0.00 0.00 179.45 177.49 2p72 h GLU 25 N -0.48 -0.16 -0.57 1.90 5.08 -0.98 0.30 114.58 119.67 2p72 h GLU 25 Ca 0.05 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 2p72 h GLU 25 Cb 0.54 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 2p72 h GLU 25 CO -0.23 -0.10 0.22 -0.07 -1.00 0.00 0.00 179.01 177.83 2p72 h LEU 26 N -0.16 0.80 -0.41 1.33 3.38 -1.16 0.33 115.31 119.42 2p72 h LEU 26 Ca 0.22 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 2p72 h LEU 26 Cb 0.51 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2p72 h LEU 26 CO -0.59 0.76 -0.09 0.58 0.09 0.00 0.00 178.44 179.20 2p72 h VAL 27 N 0.79 1.27 -0.52 1.22 2.07 -0.65 0.15 116.25 120.58 2p72 h VAL 27 Ca 0.19 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.54 2p72 h VAL 27 Cb 0.22 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 2p72 h VAL 27 CO -0.01 0.39 0.34 -0.08 0.02 0.00 0.00 177.57 178.23 2p72 h GLU 28 N 0.60 0.70 0.00 1.57 4.81 -0.09 -0.07 114.58 122.10 2p72 h GLU 28 Ca 0.10 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2p72 h GLU 28 Cb 0.61 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.83 2p72 h GLU 28 CO 0.04 0.48 -0.00 1.49 -0.73 0.00 0.00 179.01 180.28 2p72 h GLU 29 N 0.71 -0.00 -0.74 1.92 4.81 -0.16 -2.31 114.58 118.80 2p72 h GLU 29 Ca 0.19 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.53 2p72 h GLU 29 Cb -0.06 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.24 2p72 h GLU 29 CO -0.04 0.06 0.36 -0.92 -0.73 0.00 0.00 179.01 177.74 2p72 h TYR 30 N -0.07 0.63 -0.70 0.92 3.20 -0.20 -0.39 116.97 120.36 2p72 h TYR 30 Ca -0.00 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 2p72 h TYR 30 Cb 0.07 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 2p72 h TYR 30 CO -0.06 0.18 0.36 0.00 -1.64 0.00 0.00 178.16 177.01 2p72 h SER 32 N 0.97 1.04 -0.31 0.00 0.87 -0.72 0.15 113.55 115.56 2p72 h SER 32 Ca 0.24 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 2p72 h SER 32 Cb 0.08 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.75 2p72 h SER 32 CO -0.04 0.87 0.20 0.40 -0.53 0.00 0.00 176.83 177.73 2p72 h ILE 33 N 1.13 1.07 -0.03 2.23 2.04 -0.88 -3.30 117.51 119.77 2p72 h ILE 33 Ca 0.28 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 66.00 2p72 h ILE 33 Cb 0.09 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 2p72 h ILE 33 CO -0.04 0.07 0.00 1.41 0.00 0.00 0.00 178.15 179.59 2p72 n HIS 34 N -4.88 0.01 -1.67 1.37 8.25 -1.01 -4.97 115.22 112.32 2p72 n HIS 34 Ca -0.01 -0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 2p72 n HIS 34 Cb 0.03 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.14 2p72 n HIS 34 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2p72 n GLY 35 N 1.28 0.39 3.86 -1.41 0.00 0.38 -5.06 105.19 104.63 2p72 n GLY 35 Ca 0.13 -0.95 -0.32 0.00 0.00 0.00 0.00 46.02 44.89 2p72 n GLY 35 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2p72 s TYR 36 N -2.00 3.39 0.42 1.61 2.02 -0.28 -4.86 117.35 117.65 2p72 s TYR 36 Ca 0.00 1.13 -0.22 0.00 -0.37 0.00 0.00 57.07 57.60 2p72 s TYR 36 Cb 0.00 -2.46 -0.10 0.00 -0.40 0.00 0.00 41.96 39.00 2p72 s TYR 36 CO 0.00 0.13 0.98 -0.80 -1.57 0.00 0.00 175.55 174.30 2p72 s ASN 37 N -2.32 6.84 -0.14 2.29 0.02 -0.42 -4.50 114.94 116.71 2p72 s ASN 37 Ca 0.52 1.82 -0.00 0.00 -1.02 0.00 0.00 52.86 54.18 2p72 s ASN 37 Cb -0.10 -2.56 0.03 0.00 0.02 0.00 0.00 41.25 38.63 2p72 s ASN 37 CO 0.19 -0.43 -0.11 0.12 0.02 0.00 0.00 177.10 176.89 2p72 s PHE 38 N -1.97 1.87 -0.11 2.20 5.36 -1.26 -0.67 117.98 123.40 2p72 s PHE 38 Ca 0.61 -1.04 0.03 0.00 -0.96 0.00 0.00 56.93 55.57 2p72 s PHE 38 Cb -0.14 -1.43 -0.00 0.00 -0.34 0.00 0.00 43.02 41.10 2p72 s PHE 38 CO 0.18 -0.61 -0.21 -0.47 -1.46 0.00 0.00 175.22 172.66 2p72 s TYR 39 N 1.58 2.64 -0.13 10.12 5.04 0.16 -4.98 117.35 131.78 2p72 s TYR 39 Ca 0.04 -0.94 -0.01 0.00 -2.44 0.00 0.00 57.07 53.73 2p72 s TYR 39 Cb -0.13 -1.75 0.03 0.00 0.35 0.00 0.00 41.96 40.46 2p72 s TYR 39 CO -0.09 -0.37 -0.06 -0.47 -1.34 0.00 0.00 175.55 173.22 2p72 s TYR 40 N 0.36 1.46 -0.80 4.97 5.04 -1.26 -1.32 117.35 125.80 2p72 s TYR 40 Ca -0.16 -0.79 -0.26 0.00 -2.44 0.00 0.00 57.07 53.42 2p72 s TYR 40 Cb -0.17 -1.21 0.04 0.00 0.35 0.00 0.00 41.96 40.96 2p72 s TYR 40 CO 0.08 -0.53 1.29 -2.00 -1.34 0.00 0.00 175.55 173.05 2p72 s GLU 41 N 1.72 3.28 0.00 4.97 2.56 0.21 -4.77 118.70 126.66 2p72 s GLU 41 Ca 0.04 -0.50 0.28 0.00 0.00 0.00 0.00 54.97 54.79 2p72 s GLU 41 Cb -0.13 -4.45 1.06 0.00 2.00 0.00 0.00 34.13 32.61 2p72 s GLU 41 CO -0.08 -2.13 1.75 0.39 -0.56 0.00 0.00 175.26 174.63 2p72 n GLU 42 N 9.10 0.82 -1.16 4.30 1.02 -1.26 -2.41 120.64 131.05 2p72 n GLU 42 Ca 0.09 -0.37 -0.30 0.00 -0.02 0.00 0.00 57.16 56.56 2p72 n GLU 42 Cb 0.49 -1.49 0.14 0.00 -0.02 0.00 0.00 31.44 30.56 2p72 n GLU 42 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2p72 s SER 43 N -2.44 3.34 -0.15 1.62 0.15 -1.26 -4.77 113.70 110.19 2p72 s SER 43 Ca 0.28 1.51 -0.13 0.00 0.70 0.00 0.00 55.95 58.31 2p72 s SER 43 Cb 0.20 -2.18 -0.05 0.00 -1.71 0.00 0.00 66.02 62.28 2p72 s SER 43 CO 0.48 -2.73 0.29 -0.70 1.20 0.00 0.00 173.24 171.78 2p72 s GLU 44 N -4.90 4.20 0.14 5.44 2.12 -1.26 -4.53 118.70 119.90 2p72 s GLU 44 Ca 0.64 0.09 -0.30 0.00 0.36 0.00 0.00 54.97 55.76 2p72 s GLU 44 Cb -0.18 -3.40 -0.07 0.00 0.26 0.00 0.00 34.13 30.73 2p72 s GLU 44 CO 0.57 0.29 1.23 -2.14 -0.54 0.00 0.00 175.26 174.67 2p72 s PRO 45 N 0.31 4.45 0.19 4.30 0.02 -1.26 -4.94 135.00 138.07 2p72 s PRO 45 Ca 0.17 1.87 -0.09 0.00 0.02 0.00 0.00 61.00 62.97 2p72 s PRO 45 Cb -0.13 -3.27 0.10 0.00 0.02 0.00 0.00 34.50 31.22 2p72 s PRO 45 CO 0.04 -0.19 1.71 -0.07 -0.33 0.00 0.00 177.00 178.16 2p72 h LEU 46 N 5.93 1.04 -8.46 -5.54 3.38 -2.02 -3.40 115.31 106.23 2p72 h LEU 46 Ca -0.43 -0.23 -0.69 0.00 0.09 0.00 0.00 57.88 56.62 2p72 h LEU 46 Cb 1.21 -0.27 -0.24 0.00 0.09 0.00 0.00 40.66 41.45 2p72 h LEU 46 CO 0.78 1.00 -0.56 -1.61 0.09 0.00 0.00 178.44 178.14 2p72 s GLU 47 N -5.32 3.11 0.00 1.13 2.02 -1.26 -4.97 118.70 113.41 2p72 s GLU 47 Ca -0.12 -0.87 0.09 0.00 0.02 0.00 0.00 54.97 54.09 2p72 s GLU 47 Cb 0.14 -3.58 0.17 0.00 0.10 0.00 0.00 34.13 30.97 2p72 s GLU 47 CO 0.84 -0.51 1.01 0.25 0.02 0.00 0.00 175.26 176.87 2p72 n THR 48 N 4.96 0.52 -1.02 3.63 -2.24 -1.26 -4.36 114.28 114.51 2p72 n THR 48 Ca -0.13 -0.76 -0.31 0.00 -2.27 0.00 0.00 64.05 60.58 2p72 n THR 48 Cb 0.48 0.83 0.14 0.00 -2.10 0.00 0.00 70.33 69.68 2p72 n THR 48 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2p72 s GLU 49 N -0.89 1.42 0.16 -0.78 2.02 -1.26 -4.83 118.70 114.54 2p72 s GLU 49 Ca 0.15 1.19 -0.15 0.00 0.02 0.00 0.00 54.97 56.18 2p72 s GLU 49 Cb 0.09 -1.80 0.05 0.00 0.10 0.00 0.00 34.13 32.57 2p72 s GLU 49 CO 0.12 -2.24 1.81 1.49 0.02 0.00 0.00 175.26 176.47 2p72 h GLU 50 N -1.56 0.53 -0.64 1.61 4.81 -2.00 -2.38 114.58 114.95 2p72 h GLU 50 Ca -0.46 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 58.68 2p72 h GLU 50 Cb 1.26 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.50 2p72 h GLU 50 CO 0.49 0.35 0.16 1.12 -0.73 0.00 0.00 179.01 180.40 2p72 h HIS 51 N 0.55 1.07 -0.20 0.92 2.07 -1.92 -2.85 115.15 114.78 2p72 h HIS 51 Ca 0.17 -0.13 -0.11 0.00 -2.85 0.00 0.00 60.37 57.46 2p72 h HIS 51 Cb -0.01 -0.30 -0.01 0.00 2.57 0.00 0.00 27.41 29.66 2p72 h HIS 51 CO -0.06 0.89 -0.35 0.00 -3.07 0.00 0.00 177.93 175.34 2p72 h ALA 52 N 1.05 1.03 -0.43 6.11 0.00 -1.82 -1.25 119.26 123.95 2p72 h ALA 52 Ca 0.20 -0.39 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 2p72 h ALA 52 Cb 0.36 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2p72 h ALA 52 CO 0.00 0.59 -0.25 -0.07 0.00 0.00 0.00 179.25 179.53 2p72 h LEU 53 N 0.37 0.94 -0.93 0.00 3.38 -1.41 -1.03 115.31 116.62 2p72 h LEU 53 Ca 0.04 -0.36 -0.08 0.00 0.09 0.00 0.00 57.88 57.57 2p72 h LEU 53 Cb 0.78 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 2p72 h LEU 53 CO 0.06 1.13 -0.04 -0.74 0.09 0.00 0.00 178.44 178.95 2p72 h HIS 54 N 0.78 0.79 0.00 1.13 2.76 -1.23 -2.72 115.15 116.66 2p72 h HIS 54 Ca 0.10 -0.12 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 2p72 h HIS 54 Cb 0.81 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.56 2p72 h HIS 54 CO 0.05 0.76 0.00 0.74 -1.30 0.00 0.00 177.93 178.18 2p72 h PHE 55 N 0.69 0.00 -0.15 5.26 0.04 -0.93 -3.35 116.94 118.50 2p72 h PHE 55 Ca 0.13 0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.95 2p72 h PHE 55 Cb 0.48 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.62 2p72 h PHE 55 CO 0.02 0.00 0.13 -0.09 -0.60 0.00 0.00 178.31 177.78 2p72 h ARG 56 N 0.00 0.00 -0.35 1.51 2.43 -0.86 0.11 114.38 117.23 2p72 h ARG 56 Ca 0.00 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.27 2p72 h ARG 56 Cb 0.61 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 2p72 h ARG 56 CO 0.00 0.00 0.36 0.07 -1.51 0.00 0.00 179.97 178.89 2p72 h ARG 57 N 0.00 0.00 0.00 0.20 0.11 -1.77 0.39 114.38 113.31 2p72 h ARG 57 Ca 0.07 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.15 2p72 h ARG 57 Cb 0.34 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.42 2p72 h ARG 57 CO -0.00 0.00 -0.55 0.77 0.10 0.00 0.00 179.97 180.29 2p72 h SER 58 N 0.00 0.00 0.13 0.08 0.02 -1.08 -2.63 113.55 110.07 2p72 h SER 58 Ca 0.16 -0.05 -0.27 0.00 -0.84 0.00 0.00 61.79 60.79 2p72 h SER 58 Cb 0.88 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.42 2p72 h SER 58 CO -0.00 0.03 -1.37 -0.25 -1.14 0.00 0.00 176.83 174.10 2p72 h TRP 59 N 0.00 0.51 -0.77 3.45 7.01 -1.19 -3.36 115.95 121.60 2p72 h TRP 59 Ca 0.00 -0.37 0.06 0.00 2.11 0.00 0.00 58.89 60.69 2p72 h TRP 59 Cb 0.91 -0.02 -0.06 0.00 -2.10 0.00 0.00 29.16 27.89 2p72 h TRP 59 CO 0.00 1.53 0.45 0.82 -2.79 0.00 0.00 178.44 178.46 2p72 h ILE 60 N -0.26 1.00 -0.68 2.65 2.04 -1.02 -1.88 117.51 119.36 2p72 h ILE 60 Ca -0.28 -0.28 0.08 0.00 1.00 0.00 0.00 64.86 65.37 2p72 h ILE 60 Cb 1.79 0.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.93 2p72 h ILE 60 CO 0.09 0.15 0.45 -0.29 0.00 0.00 0.00 178.15 178.55 2p72 h ILE 61 N 0.83 0.98 -0.59 -0.67 2.10 -1.64 0.12 117.51 118.64 2p72 h ILE 61 Ca 0.34 -0.22 -0.06 0.00 1.08 0.00 0.00 64.86 66.00 2p72 h ILE 61 Cb 0.19 0.28 -0.03 0.00 -1.09 0.00 0.00 36.82 36.17 2p72 h ILE 61 CO -0.18 0.12 0.11 1.56 -1.08 0.00 0.00 178.15 178.68 2p72 h GLN 62 N 0.64 0.93 -0.26 2.19 4.20 -1.49 -1.20 115.11 120.12 2p72 h GLN 62 Ca 0.30 -0.22 -0.16 0.00 0.06 0.00 0.00 58.65 58.64 2p72 h GLN 62 Cb 0.36 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 2p72 h GLN 62 CO -0.10 0.85 -0.47 1.96 -0.67 0.00 0.00 178.83 180.40 2p72 h GLN 63 N 0.88 0.70 -0.91 1.46 1.08 -0.71 -2.55 115.11 115.06 2p72 h GLN 63 Ca 0.18 -0.40 -0.02 0.00 -1.45 0.00 0.00 58.65 56.97 2p72 h GLN 63 Cb 0.36 0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.78 2p72 h GLN 63 CO 0.01 1.02 0.51 0.00 -0.95 0.00 0.00 178.83 179.41 2p72 h ALA 64 N 0.92 1.18 -0.05 3.87 0.00 -0.65 -2.60 119.26 121.92 2p72 h ALA 64 Ca 0.03 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 2p72 h ALA 64 Cb 1.02 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2p72 h ALA 64 CO 0.10 0.67 -0.60 0.00 0.00 0.00 0.00 179.25 179.42 2p72 h ALA 65 N 1.28 0.92 -0.56 0.00 0.00 -1.14 0.15 119.26 119.92 2p72 h ALA 65 Ca 0.32 -0.54 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 2p72 h ALA 65 Cb 0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2p72 h ALA 65 CO -0.05 0.73 -0.10 0.93 0.00 0.00 0.00 179.25 180.76 2p72 h GLU 66 N 0.11 1.05 0.02 0.00 5.08 -1.28 -2.60 114.58 116.97 2p72 h GLU 66 Ca -0.01 -0.38 -0.23 0.00 -1.00 0.00 0.00 59.36 57.74 2p72 h GLU 66 Cb 1.08 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.26 2p72 h GLU 66 CO 0.09 1.08 -0.99 -0.22 -1.00 0.00 0.00 179.01 177.97 2p72 h LYS 67 N 0.94 0.40 -2.14 2.33 1.63 -1.28 -3.39 116.57 115.06 2p72 h LYS 67 Ca 0.15 -0.46 -0.59 0.00 -0.85 0.00 0.00 60.65 58.90 2p72 h LYS 67 Cb 0.67 0.14 -0.41 0.00 -0.60 0.00 0.00 32.23 32.03 2p72 h LYS 67 CO 0.05 1.13 -0.78 1.19 -3.45 0.00 0.00 179.45 177.58 2p72 n PHE 68 N -3.72 2.12 0.47 1.91 3.72 0.02 -4.96 117.46 117.02 2p72 n PHE 68 Ca -0.07 -3.93 0.06 0.00 -0.05 0.00 0.00 57.45 53.46 2p72 n PHE 68 Cb 0.86 -0.47 0.28 0.00 -0.94 0.00 0.00 39.48 39.21 2p72 n PHE 68 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2p72 n PRO 69 N 1.10 0.02 -0.01 -1.08 -0.04 -0.99 -2.20 135.00 131.80 2p72 n PRO 69 Ca 0.26 0.26 0.13 0.00 -0.04 0.00 0.00 63.50 64.12 2p72 n PRO 69 Cb 0.45 -1.50 0.49 0.00 -0.04 0.00 0.00 33.50 32.91 2p72 n PRO 69 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2p72 n SER 70 N -1.48 1.56 -4.74 3.54 2.88 -1.26 -4.93 113.62 109.19 2p72 n SER 70 Ca 0.03 -1.54 -0.42 0.00 -1.33 0.00 0.00 58.87 55.61 2p72 n SER 70 Cb 0.15 -0.02 -0.02 0.00 -0.75 0.00 0.00 64.21 63.57 2p72 n SER 70 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2p72 n THR 71 N 0.23 1.03 -0.09 2.46 -1.04 -0.93 -4.86 114.28 111.07 2p72 n THR 71 Ca 0.18 -0.26 -0.23 0.00 -2.04 0.00 0.00 64.05 61.70 2p72 n THR 71 Cb 0.36 -1.93 -0.12 0.00 -1.82 0.00 0.00 70.33 66.82 2p72 n THR 71 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2p72 n GLU 72 N 2.12 0.62 -4.59 -2.82 4.07 -0.43 -4.65 120.64 114.96 2p72 n GLU 72 Ca 0.09 0.40 -0.29 0.00 -0.06 0.00 0.00 57.16 57.30 2p72 n GLU 72 Cb 0.36 -1.66 -0.17 0.00 -0.06 0.00 0.00 31.44 29.91 2p72 n GLU 72 CO 0.00 0.00 0.00 -1.58 -0.06 0.00 0.00 177.13 175.49 2p72 s TRP 73 N -2.45 2.08 -0.14 4.31 0.52 -0.45 -1.12 118.94 121.69 2p72 s TRP 73 Ca -0.30 -0.96 -0.11 0.00 0.02 0.00 0.00 56.10 54.75 2p72 s TRP 73 Cb 0.08 -1.47 -0.05 0.00 -1.15 0.00 0.00 33.47 30.88 2p72 s TRP 73 CO 0.61 -0.47 0.23 -0.06 0.02 0.00 0.00 176.95 177.28 2p72 s PHE 74 N 0.85 3.51 -0.27 -1.98 0.08 0.54 -1.35 117.98 119.36 2p72 s PHE 74 Ca -0.09 0.56 0.03 0.00 0.12 0.00 0.00 56.93 57.55 2p72 s PHE 74 Cb -0.15 -2.19 0.07 0.00 -0.57 0.00 0.00 43.02 40.17 2p72 s PHE 74 CO 0.00 0.42 -0.07 -1.17 -0.10 0.00 0.00 175.22 174.30 2p72 s LEU 75 N -0.10 3.60 0.05 -0.37 2.96 0.54 -0.28 118.68 125.07 2p72 s LEU 75 Ca 0.15 -1.52 -0.30 0.00 -0.22 0.00 0.00 54.13 52.23 2p72 s LEU 75 Cb -0.13 -1.52 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 2p72 s LEU 75 CO 0.04 -0.23 0.98 0.86 -1.32 0.00 0.00 176.35 176.67 2p72 s TRP 76 N 1.10 3.71 -0.08 5.38 -0.11 -0.21 -0.43 118.94 128.29 2p72 s TRP 76 Ca -0.05 1.73 0.03 0.00 1.22 0.00 0.00 56.10 59.03 2p72 s TRP 76 Cb -0.20 -3.11 0.01 0.00 -1.50 0.00 0.00 33.47 28.67 2p72 s TRP 76 CO -0.06 0.03 -0.17 -0.51 -4.62 0.00 0.00 176.95 171.61 2p72 s LEU 77 N 0.60 1.84 0.93 5.86 1.43 -0.79 -1.72 118.68 126.83 2p72 s LEU 77 Ca 0.50 -0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 53.08 2p72 s LEU 77 Cb -0.22 -1.08 0.11 0.00 0.03 0.00 0.00 46.19 45.02 2p72 s LEU 77 CO 0.29 0.09 0.91 0.47 0.23 0.00 0.00 176.35 178.33 2p72 n ASP 78 N 3.70 -0.45 0.02 2.29 8.00 0.46 -4.49 116.55 126.08 2p72 n ASP 78 Ca -0.21 0.39 0.11 0.00 0.71 0.00 0.00 54.79 55.79 2p72 n ASP 78 Cb 0.52 -1.39 0.46 0.00 -0.02 0.00 0.00 41.12 40.69 2p72 n ASP 78 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2p72 n SER 79 N -3.28 0.12 -1.48 -2.24 3.41 -1.26 -2.16 113.62 106.73 2p72 n SER 79 Ca 0.10 0.52 0.10 0.00 -0.26 0.00 0.00 58.87 59.33 2p72 n SER 79 Cb 0.52 -0.55 0.34 0.00 -0.26 0.00 0.00 64.21 64.27 2p72 n SER 79 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2p72 n ASP 80 N -1.62 4.49 -4.60 4.04 3.85 -1.26 -4.55 116.55 116.91 2p72 n ASP 80 Ca 0.05 -2.34 -0.34 0.00 -0.71 0.00 0.00 54.79 51.44 2p72 n ASP 80 Cb 0.26 -0.54 -0.10 0.00 -1.35 0.00 0.00 41.12 39.39 2p72 n ASP 80 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 2p72 s VAL 81 N -1.65 4.50 0.36 2.12 1.01 -0.92 -0.21 120.40 125.62 2p72 s VAL 81 Ca 0.49 -0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.38 2p72 s VAL 81 Cb 0.30 -3.01 -0.06 0.00 0.00 0.00 0.00 36.38 33.61 2p72 s VAL 81 CO 0.26 0.48 0.05 -0.72 0.00 0.00 0.00 175.10 175.16 2p72 s TYR 82 N 0.32 2.10 -0.17 5.22 -0.85 -0.06 -4.85 117.35 119.06 2p72 s TYR 82 Ca 0.01 -0.91 -0.22 0.00 -0.52 0.00 0.00 57.07 55.44 2p72 s TYR 82 Cb -0.13 -1.43 -0.03 0.00 0.38 0.00 0.00 41.96 40.76 2p72 s TYR 82 CO 0.01 0.11 0.66 0.08 -1.52 0.00 0.00 175.55 174.90 2p72 s VAL 83 N -3.11 5.01 -0.16 -3.49 1.01 -1.26 -0.88 120.40 117.52 2p72 s VAL 83 Ca 0.33 1.28 -0.29 0.00 0.00 0.00 0.00 61.98 63.31 2p72 s VAL 83 Cb 0.08 -3.98 -0.06 0.00 0.00 0.00 0.00 36.38 32.42 2p72 s VAL 83 CO 0.15 0.13 2.14 0.21 0.00 0.00 0.00 175.10 177.74 2p72 s ASN 84 N 1.10 5.71 0.30 3.32 2.47 0.30 -4.90 114.94 123.23 2p72 s ASN 84 Ca 0.31 2.05 0.04 0.00 0.42 0.00 0.00 52.86 55.69 2p72 s ASN 84 Cb -0.16 -2.52 0.76 0.00 -1.45 0.00 0.00 41.25 37.89 2p72 s ASN 84 CO 0.12 -1.74 1.66 -0.65 -3.72 0.00 0.00 177.10 172.77 2p72 h PRO 85 N 13.92 0.26 -0.93 0.43 0.11 -1.92 0.10 132.00 143.98 2p72 h PRO 85 Ca -0.43 -0.02 0.21 0.00 0.11 0.00 0.00 66.00 65.88 2p72 h PRO 85 Cb 1.24 -0.06 -0.12 0.00 0.11 0.00 0.00 31.00 32.17 2p72 h PRO 85 CO 0.96 0.17 0.47 -0.22 -0.21 0.00 0.00 178.00 179.17 2p72 h LYS 86 N 0.26 0.50 -0.35 1.05 3.64 -1.91 -2.90 116.57 116.86 2p72 h LYS 86 Ca 0.58 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.93 2p72 h LYS 86 Cb 1.17 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 2p72 h LYS 86 CO -0.62 0.33 0.00 0.09 -2.27 0.00 0.00 179.45 176.98 2p72 n ASN 87 N -4.95 3.03 0.22 4.20 5.03 0.30 -4.61 115.26 118.48 2p72 n ASN 87 Ca 0.23 -1.90 0.18 0.00 0.87 0.00 0.00 54.58 53.96 2p72 n ASN 87 Cb 0.64 -0.23 0.84 0.00 -1.02 0.00 0.00 39.78 40.01 2p72 n ASN 87 CO 0.00 0.00 0.00 0.07 -1.83 0.00 0.00 177.26 175.50 2p72 h LYS 88 N 3.01 0.00 -0.06 3.52 2.10 -1.17 0.18 116.57 124.14 2p72 h LYS 88 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2p72 h LYS 88 Cb 0.78 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.11 2p72 h LYS 88 CO 0.00 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.54 2p72 n ASN 89 N -3.49 1.31 -4.66 7.07 5.03 -1.26 -4.82 115.26 114.44 2p72 n ASN 89 Ca 0.02 -1.51 -0.35 0.00 0.87 0.00 0.00 54.58 53.61 2p72 n ASN 89 Cb 0.39 -0.03 -0.09 0.00 -1.02 0.00 0.00 39.78 39.02 2p72 n ASN 89 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2p72 s LYS 90 N -1.93 4.03 0.99 3.52 1.02 0.62 -5.10 119.74 122.90 2p72 s LYS 90 Ca 0.37 -0.31 -0.12 0.00 0.02 0.00 0.00 55.97 55.93 2p72 s LYS 90 Cb 0.19 -3.28 0.18 0.00 -0.52 0.00 0.00 37.83 34.41 2p72 s LYS 90 CO 0.31 0.27 1.08 -1.25 -0.92 0.00 0.00 175.35 174.84 2p72 s PRO 91 N 0.39 0.49 0.28 -1.68 0.04 -1.26 -4.94 135.00 128.32 2p72 s PRO 91 Ca 0.04 0.88 0.04 0.00 0.04 0.00 0.00 61.00 62.01 2p72 s PRO 91 Cb -0.12 -1.72 0.42 0.00 0.04 0.00 0.00 34.50 33.12 2p72 s PRO 91 CO -0.00 -2.78 1.69 0.82 0.04 0.00 0.00 177.00 176.77 2p72 h ILE 92 N -1.95 1.29 0.00 0.56 2.04 -1.98 -2.80 117.51 114.68 2p72 h ILE 92 Ca -0.53 -1.45 0.00 0.00 1.00 0.00 0.00 64.86 63.88 2p72 h ILE 92 Cb 1.30 1.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.96 2p72 h ILE 92 CO 0.52 0.44 0.00 0.35 0.00 0.00 0.00 178.15 179.46 2p72 n THR 93 N -4.05 0.94 0.99 -0.27 -2.24 -1.26 -0.61 114.28 107.78 2p72 n THR 93 Ca -0.01 0.24 0.13 0.00 -2.27 0.00 0.00 64.05 62.14 2p72 n THR 93 Cb 0.46 -1.04 0.46 0.00 -2.10 0.00 0.00 70.33 68.12 2p72 n THR 93 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2p72 n SER 94 N -1.71 0.22 -0.00 3.42 3.41 -1.06 -3.90 113.62 114.00 2p72 n SER 94 Ca 0.03 0.19 0.04 0.00 -0.26 0.00 0.00 58.87 58.87 2p72 n SER 94 Cb 0.19 -0.19 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 2p72 n SER 94 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2p72 n PHE 95 N -1.51 0.00 -3.74 7.33 3.72 0.22 -5.05 117.46 118.43 2p72 n PHE 95 Ca 0.06 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.33 2p72 n PHE 95 Cb 0.34 -0.13 -0.10 0.00 -0.94 0.00 0.00 39.48 38.65 2p72 n PHE 95 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 176.76 175.21 2p72 s ILE 96 N -2.31 0.01 -0.48 4.37 2.07 -0.92 -5.03 121.20 118.93 2p72 s ILE 96 Ca -0.01 -0.10 -0.20 0.00 -1.41 0.00 0.00 60.65 58.94 2p72 s ILE 96 Cb 0.06 -0.56 0.04 0.00 0.13 0.00 0.00 42.46 42.13 2p72 s ILE 96 CO 0.36 -0.05 0.62 -0.62 -1.91 0.00 0.00 174.94 173.33 2p72 s ASP 97 N -0.15 6.26 -0.27 4.50 -1.08 -1.26 -4.39 116.67 120.28 2p72 s ASP 97 Ca -0.03 -0.67 0.13 0.00 -0.52 0.00 0.00 52.55 51.45 2p72 s ASP 97 Cb -0.03 -2.30 0.78 0.00 -1.46 0.00 0.00 42.92 39.91 2p72 s ASP 97 CO 0.02 -0.83 1.75 0.18 0.52 0.00 0.00 175.17 176.80 2p72 n LEU 98 N 6.19 5.74 0.16 -1.34 4.77 -1.26 -4.65 117.00 126.61 2p72 n LEU 98 Ca -0.05 -3.06 0.09 0.00 -0.03 0.00 0.00 56.01 52.97 2p72 n LEU 98 Cb 0.46 -0.70 0.08 0.00 -2.33 0.00 0.00 43.42 40.94 2p72 n LEU 98 CO 0.53 0.70 0.45 0.77 -1.33 0.00 0.00 177.39 178.52 2p72 h SER 99 N 3.36 0.00 -2.87 -1.43 4.64 -2.01 -3.45 113.55 111.78 2p72 h SER 99 Ca 0.10 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.85 2p72 h SER 99 Cb 2.07 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 64.13 2p72 h SER 99 CO 0.56 0.12 1.11 -0.62 -0.87 0.00 0.00 176.83 177.14 2p72 s ASP 100 N -5.98 6.37 0.08 4.97 -1.08 -1.26 -4.88 116.67 114.89 2p72 s ASP 100 Ca 0.04 1.43 0.21 0.00 -0.52 0.00 0.00 52.55 53.70 2p72 s ASP 100 Cb 0.07 -2.53 0.86 0.00 -1.46 0.00 0.00 42.92 39.86 2p72 s ASP 100 CO 0.73 -1.30 1.66 -0.81 0.52 0.00 0.00 175.17 175.97 2p72 n PRO 101 N 7.74 0.07 0.13 4.34 -0.04 -1.26 -2.72 135.00 143.27 2p72 n PRO 101 Ca 0.18 0.23 0.04 0.00 -0.04 0.00 0.00 63.50 63.91 2p72 n PRO 101 Cb 0.46 -1.62 0.03 0.00 -0.04 0.00 0.00 33.50 32.33 2p72 n PRO 101 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 2p72 h ASN 102 N 0.00 0.00 -3.46 3.54 -1.24 -1.95 -3.46 115.58 109.01 2p72 h ASN 102 Ca 0.00 0.00 -0.54 0.00 0.71 0.00 0.00 56.30 56.47 2p72 h ASN 102 Cb 0.39 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.41 2p72 h ASN 102 CO 0.00 0.43 0.30 -0.63 -1.29 0.00 0.00 177.43 176.24 2p72 s ILE 103 N -3.00 4.75 -0.22 2.57 -1.09 -1.10 -4.61 121.20 118.50 2p72 s ILE 103 Ca 0.03 1.93 0.05 0.00 -2.23 0.00 0.00 60.65 60.43 2p72 s ILE 103 Cb 0.07 -4.26 -0.17 0.00 -1.58 0.00 0.00 42.46 36.53 2p72 s ILE 103 CO 0.75 0.25 -0.14 0.18 -1.23 0.00 0.00 174.94 174.75 2p72 n LEU 104 N 3.36 2.26 -4.21 2.97 4.77 0.96 -4.77 117.00 122.34 2p72 n LEU 104 Ca 0.03 -0.09 -0.30 0.00 -0.03 0.00 0.00 56.01 55.61 2p72 n LEU 104 Cb 0.50 -0.51 -0.17 0.00 -2.33 0.00 0.00 43.42 40.92 2p72 n LEU 104 CO 0.50 0.78 -0.54 -0.31 -1.33 0.00 0.00 177.39 176.49 2p72 s TYR 105 N -2.46 2.24 -0.29 -1.77 2.02 -1.10 -0.59 117.35 115.41 2p72 s TYR 105 Ca -0.26 -0.74 -0.05 0.00 -0.37 0.00 0.00 57.07 55.65 2p72 s TYR 105 Cb 0.07 -1.49 0.03 0.00 -0.40 0.00 0.00 41.96 40.17 2p72 s TYR 105 CO 0.59 -0.26 0.04 -1.01 -1.57 0.00 0.00 175.55 173.34 2p72 s HIS 106 N 0.06 3.17 0.51 2.71 3.76 -0.84 -1.68 115.29 122.98 2p72 s HIS 106 Ca -0.08 -1.34 0.02 0.00 -0.15 0.00 0.00 55.06 53.51 2p72 s HIS 106 Cb -0.14 -2.19 -0.01 0.00 1.11 0.00 0.00 32.58 31.35 2p72 s HIS 106 CO 0.05 -0.68 0.07 0.95 -0.85 0.00 0.00 174.74 174.27 2p72 s THR 107 N 1.40 1.29 -0.01 1.30 -4.23 0.09 -2.01 115.64 113.47 2p72 s THR 107 Ca -0.00 -1.92 0.01 0.00 -1.18 0.00 0.00 61.69 58.60 2p72 s THR 107 Cb -0.18 -2.20 0.01 0.00 1.34 0.00 0.00 72.50 71.46 2p72 s THR 107 CO 0.00 0.00 -0.01 -0.36 -0.54 0.00 0.00 174.62 173.71 2p72 s PHE 108 N -2.85 0.21 1.00 3.99 0.08 -1.26 0.20 117.98 119.35 2p72 s PHE 108 Ca 0.12 -0.02 -0.16 0.00 0.12 0.00 0.00 56.93 56.99 2p72 s PHE 108 Cb 0.01 -0.20 0.20 0.00 -0.57 0.00 0.00 43.02 42.47 2p72 s PHE 108 CO 0.07 -0.04 1.22 -3.38 -0.10 0.00 0.00 175.22 172.99 2p72 s HIS 109 N 0.28 1.58 -0.12 0.36 -3.43 -0.75 -0.42 115.29 112.79 2p72 s HIS 109 Ca -0.02 0.50 0.24 0.00 -0.80 0.00 0.00 55.06 54.98 2p72 s HIS 109 Cb -0.05 -3.75 0.46 0.00 -1.43 0.00 0.00 32.58 27.82 2p72 s HIS 109 CO -0.01 -2.86 1.15 -0.85 -2.00 0.00 0.00 174.74 170.17 2p72 n GLU 110 N -4.00 0.84 -3.02 -0.38 0.28 -1.26 -4.20 120.64 108.90 2p72 n GLU 110 Ca 0.12 -2.71 -0.33 0.00 -0.16 0.00 0.00 57.16 54.08 2p72 n GLU 110 Cb 0.60 -0.76 -0.06 0.00 1.43 0.00 0.00 31.44 32.64 2p72 n GLU 110 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2p72 s ALA 111 N -1.74 3.24 -2.10 -1.84 0.00 -1.26 0.19 121.76 118.25 2p72 s ALA 111 Ca 0.32 0.19 0.20 0.00 0.00 0.00 0.00 51.96 52.67 2p72 s ALA 111 Cb 0.36 -2.91 0.55 0.00 0.00 0.00 0.00 23.12 21.12 2p72 s ALA 111 CO -0.11 0.26 1.47 -0.35 0.00 0.00 0.00 175.76 177.03 2p72 n PRO 112 N -0.27 2.45 0.12 0.00 -0.04 -1.26 -4.82 135.00 131.17 2p72 n PRO 112 Ca 0.04 -2.24 -0.01 0.00 -0.04 0.00 0.00 63.50 61.24 2p72 n PRO 112 Cb 0.53 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.53 2p72 n PRO 112 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 2p72 h TRP 113 N 3.80 0.00 -3.63 0.54 4.06 -1.90 -3.47 115.95 115.36 2p72 h TRP 113 Ca 0.00 0.00 -0.50 0.00 2.06 0.00 0.00 58.89 60.45 2p72 h TRP 113 Cb 0.86 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 29.03 2p72 h TRP 113 CO 0.38 0.69 0.09 0.20 -3.56 0.00 0.00 178.44 176.24 2p72 s GLY 114 N -4.54 1.84 0.00 1.49 0.00 0.13 -5.01 107.32 101.23 2p72 s GLY 114 Ca 0.02 -0.30 0.30 0.00 0.00 0.00 0.00 44.72 44.74 2p72 s GLY 114 CO 0.77 -0.12 1.97 -1.14 0.00 0.00 0.00 173.10 174.58 2p72 n SER 115 N -1.46 0.65 -3.79 1.64 3.41 -1.26 -4.83 113.62 107.97 2p72 n SER 115 Ca 0.02 -1.09 -0.13 0.00 -0.26 0.00 0.00 58.87 57.41 2p72 n SER 115 Cb 0.54 -0.02 -0.09 0.00 -0.26 0.00 0.00 64.21 64.38 2p72 n SER 115 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 2p72 s TYR 116 N -2.10 -0.15 0.60 7.33 5.04 -1.26 -5.06 117.35 121.74 2p72 s TYR 116 Ca 0.40 0.26 0.29 0.00 -2.44 0.00 0.00 57.07 55.59 2p72 s TYR 116 Cb 0.21 0.06 1.65 0.00 0.35 0.00 0.00 41.96 44.24 2p72 s TYR 116 CO 0.38 -0.32 2.06 -1.35 -1.34 0.00 0.00 175.55 174.98 2p72 h PRO 117 N 4.31 0.00 -4.70 4.97 0.11 -1.97 -3.40 132.00 131.33 2p72 h PRO 117 Ca -0.29 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.56 2p72 h PRO 117 Cb 1.18 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.12 2p72 h PRO 117 CO 0.39 0.00 -0.71 0.96 -0.21 0.00 0.00 178.00 178.42 2p72 s ILE 118 N -4.57 0.71 -0.24 4.15 -4.36 -1.26 -4.15 121.20 111.47 2p72 s ILE 118 Ca -0.04 -1.68 0.02 0.00 -0.26 0.00 0.00 60.65 58.69 2p72 s ILE 118 Cb 0.15 -1.37 0.05 0.00 1.25 0.00 0.00 42.46 42.54 2p72 s ILE 118 CO 0.52 -0.70 -0.12 0.21 0.24 0.00 0.00 174.94 175.09 2p72 s ASN 119 N -2.59 4.13 -0.05 4.36 3.84 0.44 -4.89 114.94 120.18 2p72 s ASN 119 Ca 0.06 -1.23 0.07 0.00 0.21 0.00 0.00 52.86 51.96 2p72 s ASN 119 Cb 0.00 -1.50 0.28 0.00 -0.55 0.00 0.00 41.25 39.49 2p72 s ASN 119 CO -0.03 -0.16 1.09 0.35 -2.79 0.00 0.00 177.10 175.57 2p72 n THR 120 N 4.49 0.73 0.20 -5.21 -2.24 -1.26 -4.04 114.28 106.95 2p72 n THR 120 Ca -0.15 -0.46 0.18 0.00 -2.27 0.00 0.00 64.05 61.34 2p72 n THR 120 Cb 0.44 -0.12 0.82 0.00 -2.10 0.00 0.00 70.33 69.37 2p72 n THR 120 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2p72 h GLY 121 N 4.99 0.00 -6.92 3.38 0.00 -1.95 -3.36 103.07 99.22 2p72 h GLY 121 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.86 2p72 h GLY 121 CO 0.10 0.00 -0.78 0.14 0.00 0.00 0.00 176.54 176.00 2p72 s VAL 122 N -4.61 0.58 -0.11 4.60 1.01 -1.26 -0.40 120.40 120.21 2p72 s VAL 122 Ca -0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.89 2p72 s VAL 122 Cb 0.15 -0.69 0.06 0.00 0.00 0.00 0.00 36.38 35.89 2p72 s VAL 122 CO 0.54 0.29 0.21 -0.75 0.00 0.00 0.00 175.10 175.38 2p72 s LYS 123 N 1.89 0.09 -0.16 2.72 2.20 -0.70 -4.60 119.74 121.18 2p72 s LYS 123 Ca 0.05 0.63 -0.18 0.00 -0.36 0.00 0.00 55.97 56.11 2p72 s LYS 123 Cb -0.12 -0.21 -0.04 0.00 -1.51 0.00 0.00 37.83 35.95 2p72 s LYS 123 CO -0.06 -0.31 0.48 -0.06 -0.36 0.00 0.00 175.35 175.04 2p72 s PHE 124 N 2.35 3.44 -0.14 4.03 0.08 -0.85 -1.04 117.98 125.84 2p72 s PHE 124 Ca 0.02 0.80 0.00 0.00 0.12 0.00 0.00 56.93 57.88 2p72 s PHE 124 Cb -0.12 -2.59 0.02 0.00 -0.57 0.00 0.00 43.02 39.76 2p72 s PHE 124 CO -0.07 0.03 -0.14 0.08 -0.10 0.00 0.00 175.22 175.02 2p72 s VAL 125 N 1.13 1.53 0.60 -0.44 1.01 0.61 -1.98 120.40 122.87 2p72 s VAL 125 Ca 0.24 -0.61 -0.17 0.00 0.00 0.00 0.00 61.98 61.44 2p72 s VAL 125 Cb -0.15 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 2p72 s VAL 125 CO 0.10 0.45 1.14 -2.28 0.00 0.00 0.00 175.10 174.51 2p72 s HIS 126 N 1.48 2.57 0.53 5.22 2.46 0.25 -0.34 115.29 127.46 2p72 s HIS 126 Ca 0.05 1.55 0.21 0.00 0.47 0.00 0.00 55.06 57.34 2p72 s HIS 126 Cb -0.13 -3.28 1.35 0.00 -0.13 0.00 0.00 32.58 30.39 2p72 s HIS 126 CO -0.10 -1.77 2.07 1.57 -2.47 0.00 0.00 174.74 174.03 2p72 h LYS 127 N 0.64 0.00 0.00 2.88 2.10 -1.39 -0.54 116.57 120.26 2p72 h LYS 127 Ca -0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 2p72 h LYS 127 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 2p72 h LYS 127 CO 0.55 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.75 2p72 n ASP 128 N -4.43 0.00 -1.41 7.07 8.00 -1.26 -1.93 116.55 122.59 2p72 n ASP 128 Ca 0.04 0.39 0.10 0.00 0.71 0.00 0.00 54.79 56.03 2p72 n ASP 128 Cb 0.38 -0.45 0.32 0.00 -0.02 0.00 0.00 41.12 41.35 2p72 n ASP 128 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2p72 n ALA 129 N -1.45 2.71 -0.32 2.24 0.00 -0.21 -4.56 120.51 118.92 2p72 n ALA 129 Ca 0.06 -1.35 -0.04 0.00 0.00 0.00 0.00 53.44 52.10 2p72 n ALA 129 Cb 0.21 -0.98 0.08 0.00 0.00 0.00 0.00 19.45 18.76 2p72 n ALA 129 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2p72 h LEU 130 N 4.01 1.10 -1.46 0.00 3.38 -1.49 -1.44 115.31 119.41 2p72 h LEU 130 Ca 0.00 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 2p72 h LEU 130 Cb 1.15 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 2p72 h LEU 130 CO 0.11 0.89 -0.22 -0.33 0.09 0.00 0.00 178.44 178.98 2p72 h GLU 131 N 1.22 0.00 -0.18 1.13 4.39 -1.84 -1.31 114.58 117.99 2p72 h GLU 131 Ca 0.30 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.88 2p72 h GLU 131 Cb 0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 2p72 h GLU 131 CO -0.05 0.22 -0.37 0.82 -1.16 0.00 0.00 179.01 178.48 2p72 h ILE 132 N 0.00 1.34 -0.34 3.13 2.04 -1.64 -2.63 117.51 119.41 2p72 h ILE 132 Ca -0.00 -1.60 -0.02 0.00 1.00 0.00 0.00 64.86 64.23 2p72 h ILE 132 Cb 0.58 1.90 -0.02 0.00 -0.74 0.00 0.00 36.82 38.54 2p72 h ILE 132 CO 0.03 0.49 0.12 -0.33 0.00 0.00 0.00 178.15 178.46 2p72 h GLU 133 N 0.23 0.48 -0.53 2.37 4.39 -0.82 -1.13 114.58 119.56 2p72 h GLU 133 Ca 0.01 -0.06 0.06 0.00 0.34 0.00 0.00 59.36 59.70 2p72 h GLU 133 Cb 0.96 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 29.47 2p72 h GLU 133 CO 0.08 0.42 0.25 0.87 -1.16 0.00 0.00 179.01 179.47 2p72 h LYS 134 N 0.48 0.47 -0.44 2.33 1.57 -1.17 -0.81 116.57 118.99 2p72 h LYS 134 Ca 0.12 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 2p72 h LYS 134 Cb 0.13 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 2p72 h LYS 134 CO -0.01 0.31 0.22 0.82 -0.57 0.00 0.00 179.45 180.22 2p72 h ILE 135 N 0.48 1.18 -0.27 1.86 2.04 -0.91 -1.48 117.51 120.41 2p72 h ILE 135 Ca 0.24 -0.50 0.05 0.00 1.00 0.00 0.00 64.86 65.66 2p72 h ILE 135 Cb 0.19 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 2p72 h ILE 135 CO -0.19 0.19 -0.05 0.58 0.00 0.00 0.00 178.15 178.68 2p72 h VAL 136 N 0.58 0.75 -0.72 1.67 2.07 -1.05 -1.65 116.25 117.89 2p72 h VAL 136 Ca 0.15 -0.01 0.09 0.00 0.82 0.00 0.00 66.70 67.75 2p72 h VAL 136 Cb 0.11 0.73 -0.07 0.00 -1.52 0.00 0.00 31.29 30.54 2p72 h VAL 136 CO -0.02 0.00 0.38 -0.25 0.02 0.00 0.00 177.57 177.70 2p72 h TRP 137 N 0.02 0.68 0.00 1.57 2.91 -0.95 -1.56 115.95 118.63 2p72 h TRP 137 Ca 0.13 0.03 -0.00 0.00 1.13 0.00 0.00 58.89 60.18 2p72 h TRP 137 Cb 0.19 -0.20 -0.00 0.00 -0.51 0.00 0.00 29.16 28.64 2p72 h TRP 137 CO -0.25 0.27 -0.01 0.66 -1.03 0.00 0.00 178.44 178.08 2p72 h SER 138 N 0.65 0.00 -0.09 2.65 4.64 -0.38 -2.49 113.55 118.52 2p72 h SER 138 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 2p72 h SER 138 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2p72 h SER 138 CO -0.25 0.01 0.00 0.18 -0.87 0.00 0.00 176.83 175.90 2p72 n LEU 139 N -3.13 1.11 0.27 5.97 4.77 -0.59 -4.52 117.00 120.89 2p72 n LEU 139 Ca -0.01 -0.45 0.11 0.00 -0.03 0.00 0.00 56.01 55.63 2p72 n LEU 139 Cb 0.20 -0.06 0.72 0.00 -2.33 0.00 0.00 43.42 41.96 2p72 n LEU 139 CO 0.24 0.22 1.04 0.08 -1.33 0.00 0.00 177.39 177.65 2p72 h ARG 140 N 1.52 0.00 -0.30 3.23 0.11 -1.50 -1.59 114.38 115.85 2p72 h ARG 140 Ca 0.00 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.97 2p72 h ARG 140 Cb 0.33 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.34 2p72 h ARG 140 CO 0.00 0.05 -0.05 0.09 0.10 0.00 0.00 179.97 180.16 2p72 n ASN 141 N -4.14 2.88 -4.26 0.08 5.03 -1.26 -4.10 115.26 109.50 2p72 n ASN 141 Ca -0.03 -3.50 -0.33 0.00 0.87 0.00 0.00 54.58 51.59 2p72 n ASN 141 Cb 0.14 -0.59 -0.16 0.00 -1.02 0.00 0.00 39.78 38.15 2p72 n ASN 141 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 2p72 s GLU 142 N -3.10 3.18 0.39 3.52 2.56 -0.60 -4.92 118.70 119.73 2p72 s GLU 142 Ca 0.43 -0.78 -0.26 0.00 0.00 0.00 0.00 54.97 54.36 2p72 s GLU 142 Cb 0.38 -2.53 -0.09 0.00 2.00 0.00 0.00 34.13 33.89 2p72 s GLU 142 CO 0.03 0.07 1.18 0.00 -0.56 0.00 0.00 175.26 175.98 2p72 s ALA 143 N 0.65 3.20 -2.31 6.30 0.00 -1.26 -0.21 121.76 128.13 2p72 s ALA 143 Ca -0.09 0.99 0.23 0.00 0.00 0.00 0.00 51.96 53.09 2p72 s ALA 143 Cb -0.16 -3.39 0.92 0.00 0.00 0.00 0.00 23.12 20.49 2p72 s ALA 143 CO 0.02 -0.52 1.65 -0.35 0.00 0.00 0.00 175.76 176.56 2p72 n PRO 144 N 0.19 1.62 0.26 0.00 -0.04 -1.26 -4.89 135.00 130.88 2p72 n PRO 144 Ca 0.04 -0.92 0.11 0.00 -0.04 0.00 0.00 63.50 62.69 2p72 n PRO 144 Cb 0.46 -1.42 0.69 0.00 -0.04 0.00 0.00 33.50 33.20 2p72 n PRO 144 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 2p72 h TRP 145 N 1.98 0.00 -0.03 0.54 4.06 -0.86 -1.83 115.95 119.81 2p72 h TRP 145 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2p72 h TRP 145 Cb 0.43 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.59 2p72 h TRP 145 CO 0.06 0.13 0.00 0.27 -3.56 0.00 0.00 178.44 175.34 2p72 n ASN 146 N -3.76 0.20 -4.83 -3.49 0.23 -0.43 -4.24 115.26 98.93 2p72 n ASN 146 Ca -0.02 -1.83 -0.27 0.00 -0.53 0.00 0.00 54.58 51.93 2p72 n ASN 146 Cb 0.24 -0.02 -0.05 0.00 -2.08 0.00 0.00 39.78 37.86 2p72 n ASN 146 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 2p72 s THR 147 N -1.96 4.73 0.38 5.53 -4.23 -0.69 -4.84 115.64 114.56 2p72 s THR 147 Ca 0.11 -0.89 -0.27 0.00 -1.18 0.00 0.00 61.69 59.45 2p72 s THR 147 Cb 0.05 -3.38 -0.11 0.00 1.34 0.00 0.00 72.50 70.40 2p72 s THR 147 CO 0.08 -0.04 1.35 0.33 -0.54 0.00 0.00 174.62 175.80 2p72 n PHE 148 N -0.19 2.49 -0.56 3.99 7.35 -1.26 -0.91 117.46 128.37 2p72 n PHE 148 Ca -0.08 0.50 -0.17 0.00 -0.76 0.00 0.00 57.45 56.94 2p72 n PHE 148 Cb 0.54 -2.44 0.10 0.00 0.35 0.00 0.00 39.48 38.03 2p72 n PHE 148 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 2p72 n PRO 149 N 0.35 1.87 0.00 -7.13 -0.04 -1.26 -5.00 135.00 123.79 2p72 n PRO 149 Ca 0.04 -1.99 0.00 0.00 -0.04 0.00 0.00 63.50 61.51 2p72 n PRO 149 Cb 0.38 -1.78 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 2p72 n PRO 149 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2p72 n TYR 150 N -0.47 0.00 -0.11 0.54 4.01 -0.08 -2.32 117.16 118.72 2p72 n TYR 150 Ca 0.39 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 58.21 2p72 n TYR 150 Cb 1.13 0.00 0.42 0.00 -0.31 0.00 0.00 39.34 40.59 2p72 n TYR 150 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 2p72 h GLU 151 N 0.00 0.57 -0.64 -0.72 4.22 -1.81 -0.09 114.58 116.10 2p72 h GLU 151 Ca 0.00 -0.03 -0.08 0.00 0.08 0.00 0.00 59.36 59.33 2p72 h GLU 151 Cb 0.00 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 2p72 h GLU 151 CO 0.00 0.38 0.09 0.37 -2.18 0.00 0.00 179.01 177.66 2p72 h GLN 152 N 0.59 1.08 -0.40 1.92 4.15 -1.82 0.33 115.11 120.96 2p72 h GLN 152 Ca 0.27 -0.30 -0.07 0.00 0.77 0.00 0.00 58.65 59.32 2p72 h GLN 152 Cb 0.30 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 2p72 h GLN 152 CO -0.08 1.00 -0.01 -0.22 -1.93 0.00 0.00 178.83 177.59 2p72 h LYS 153 N 0.99 0.71 -0.39 1.69 3.64 -1.41 -2.34 116.57 119.46 2p72 h LYS 153 Ca 0.19 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2p72 h LYS 153 Cb 0.46 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 2p72 h LYS 153 CO 0.02 0.81 0.23 1.15 -2.27 0.00 0.00 179.45 179.38 2p72 h THR 154 N 0.53 1.13 -0.24 1.00 2.02 -0.72 0.24 112.91 116.87 2p72 h THR 154 Ca 0.11 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 2p72 h THR 154 Cb 0.49 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 2p72 h THR 154 CO 0.02 0.13 0.13 0.58 0.37 0.00 0.00 175.52 176.75 2p72 h VAL 155 N 0.50 1.13 -0.19 3.16 2.07 -0.94 -0.38 116.25 121.60 2p72 h VAL 155 Ca 0.14 -0.35 -0.20 0.00 0.82 0.00 0.00 66.70 67.11 2p72 h VAL 155 Cb 0.02 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 2p72 h VAL 155 CO -0.03 0.13 -0.67 0.22 0.02 0.00 0.00 177.57 177.24 2p72 h TYR 156 N 0.27 0.94 0.00 1.57 3.20 -1.11 -1.62 116.97 120.22 2p72 h TYR 156 Ca 0.08 -0.38 -0.14 0.00 3.14 0.00 0.00 58.73 61.44 2p72 h TYR 156 Cb 0.09 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.17 2p72 h TYR 156 CO -0.03 1.19 -1.92 0.39 -1.64 0.00 0.00 178.16 176.14 2p72 n GLU 157 N -3.94 0.94 -0.13 1.82 1.02 0.80 -4.13 120.64 117.03 2p72 n GLU 157 Ca -0.05 -0.09 -0.26 0.00 -0.02 0.00 0.00 57.16 56.74 2p72 n GLU 157 Cb 0.69 -1.40 -0.09 0.00 -0.02 0.00 0.00 31.44 30.61 2p72 n GLU 157 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 2p72 n TYR 158 N -2.32 0.00 0.04 -0.32 9.36 -0.25 -4.63 117.16 119.04 2p72 n TYR 158 Ca -0.14 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.00 2p72 n TYR 158 Cb 0.71 -0.90 -0.06 0.00 -0.63 0.00 0.00 39.34 38.46 2p72 n TYR 158 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 2p72 h VAL 159 N -0.81 0.61 -0.76 2.97 2.07 -1.21 -3.36 116.25 115.76 2p72 h VAL 159 Ca -0.63 -1.15 0.09 0.00 0.82 0.00 0.00 66.70 65.84 2p72 h VAL 159 Cb 1.58 1.08 -0.07 0.00 -1.52 0.00 0.00 31.29 32.36 2p72 h VAL 159 CO -0.36 0.18 0.41 -0.26 0.02 0.00 0.00 177.57 177.56 2p72 h PHE 160 N -0.96 0.74 -0.15 1.57 -1.00 -1.45 -0.80 116.94 114.89 2p72 h PHE 160 Ca -0.02 0.03 0.04 0.00 2.81 0.00 0.00 57.97 60.83 2p72 h PHE 160 Cb 0.45 -0.22 -0.01 0.00 3.61 0.00 0.00 35.95 39.78 2p72 h PHE 160 CO 0.07 0.29 0.12 -1.35 -1.61 0.00 0.00 178.31 175.84 2p72 h PRO 161 N 0.70 0.00 0.00 1.51 0.11 -1.76 -2.21 132.00 130.35 2p72 h PRO 161 Ca 0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.48 2p72 h PRO 161 Cb 0.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.46 2p72 h PRO 161 CO -0.25 0.00 -0.28 0.54 -0.21 0.00 0.00 178.00 177.80 2p72 n ARG 162 N -4.32 0.25 -2.97 1.05 1.74 -0.32 -4.36 116.66 107.73 2p72 n ARG 162 Ca 0.01 0.14 -0.27 0.00 -0.77 0.00 0.00 57.85 56.96 2p72 n ARG 162 Cb 0.25 -1.72 -0.04 0.00 -1.02 0.00 0.00 32.46 29.92 2p72 n ARG 162 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 2p72 n ILE 163 N -2.12 2.91 -1.83 0.55 -5.35 -0.83 -5.09 119.36 107.60 2p72 n ILE 163 Ca 0.05 -5.53 -0.41 0.00 -0.27 0.00 0.00 62.75 56.58 2p72 n ILE 163 Cb 0.42 -1.37 -0.02 0.00 -1.74 0.00 0.00 39.64 36.94 2p72 n ILE 163 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 2p72 s PRO 164 N -3.40 4.15 0.00 6.28 0.04 -1.25 -1.46 135.00 139.36 2p72 s PRO 164 Ca 0.48 2.52 0.00 0.00 0.04 0.00 0.00 61.00 64.04 2p72 s PRO 164 Cb 0.28 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.78 2p72 s PRO 164 CO -0.13 -0.58 0.00 0.41 0.04 0.00 0.00 177.00 176.74 2p72 n GLY 165 N 2.10 1.56 1.45 0.56 0.00 -1.26 -4.89 105.19 104.71 2p72 n GLY 165 Ca 0.08 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.17 2p72 n GLY 165 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p72 n ARG 166 N -2.00 3.99 -3.82 1.61 1.74 -0.54 -4.72 116.66 112.93 2p72 n ARG 166 Ca 0.00 -2.99 -0.11 0.00 -0.77 0.00 0.00 57.85 53.98 2p72 n ARG 166 Cb 0.00 -2.05 -0.08 0.00 -1.02 0.00 0.00 32.46 29.31 2p72 n ARG 166 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 2p72 s TYR 167 N -2.65 0.01 -0.04 -1.55 -0.85 -1.26 -0.03 117.35 110.98 2p72 s TYR 167 Ca 0.49 -0.21 0.03 0.00 -0.52 0.00 0.00 57.07 56.85 2p72 s TYR 167 Cb 0.37 0.01 0.01 0.00 0.38 0.00 0.00 41.96 42.73 2p72 s TYR 167 CO 0.14 -0.46 -0.11 0.42 -1.52 0.00 0.00 175.55 174.03 2p72 s ILE 168 N -2.62 0.95 -0.38 -3.49 1.01 -0.67 -4.99 121.20 111.01 2p72 s ILE 168 Ca -0.05 -0.42 -0.14 0.00 0.00 0.00 0.00 60.65 60.04 2p72 s ILE 168 Cb -0.01 -0.86 0.01 0.00 0.01 0.00 0.00 42.46 41.62 2p72 s ILE 168 CO -0.04 0.30 0.27 -0.69 0.00 0.00 0.00 174.94 174.78 2p72 s VAL 169 N 0.36 5.19 0.35 2.92 1.01 -1.26 -0.73 120.40 128.23 2p72 s VAL 169 Ca -0.07 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.37 2p72 s VAL 169 Cb -0.11 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 2p72 s VAL 169 CO 0.02 -0.21 0.55 -1.00 0.00 0.00 0.00 175.10 174.46 2p72 s HIS 170 N 1.68 3.46 0.46 5.22 3.76 0.13 -4.83 115.29 125.18 2p72 s HIS 170 Ca 0.05 0.31 -0.25 0.00 -0.15 0.00 0.00 55.06 55.02 2p72 s HIS 170 Cb -0.19 -1.92 -0.08 0.00 1.11 0.00 0.00 32.58 31.51 2p72 s HIS 170 CO 0.10 0.09 1.38 -0.51 -0.85 0.00 0.00 174.74 174.95 2p72 s ASP 171 N -4.05 5.83 0.00 1.40 1.01 -1.26 -1.80 116.67 117.79 2p72 s ASP 171 Ca 0.41 2.82 0.28 0.00 0.71 0.00 0.00 52.55 56.76 2p72 s ASP 171 Cb -0.10 -2.64 1.06 0.00 1.01 0.00 0.00 42.92 42.25 2p72 s ASP 171 CO 0.36 -1.20 1.75 -0.81 0.21 0.00 0.00 175.17 175.48 2p72 n PRO 172 N -0.34 1.32 0.01 8.23 -0.04 -1.26 -4.63 135.00 138.29 2p72 n PRO 172 Ca 0.06 -0.71 0.03 0.00 -0.04 0.00 0.00 63.50 62.85 2p72 n PRO 172 Cb 0.43 -1.49 0.41 0.00 -0.04 0.00 0.00 33.50 32.81 2p72 n PRO 172 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2p72 h TYR 173 N 1.72 0.49 0.00 0.54 0.05 -1.93 -0.12 116.97 117.72 2p72 h TYR 173 Ca 0.00 -0.00 -0.33 0.00 0.05 0.00 0.00 58.73 58.44 2p72 h TYR 173 Cb 0.45 -0.16 -0.06 0.00 1.01 0.00 0.00 36.73 37.97 2p72 h TYR 173 CO 0.00 0.35 -2.26 0.25 -1.05 0.00 0.00 178.16 175.45 2p72 n THR 174 N -4.43 1.26 0.49 -2.88 -2.24 -1.26 -4.50 114.28 100.71 2p72 n THR 174 Ca 0.02 -0.69 0.06 0.00 -2.27 0.00 0.00 64.05 61.17 2p72 n THR 174 Cb 0.10 -0.74 -0.07 0.00 -2.10 0.00 0.00 70.33 67.52 2p72 n THR 174 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2p72 n LEU 175 N -2.81 0.49 -2.98 3.22 4.77 -1.09 -0.10 117.00 118.50 2p72 n LEU 175 Ca -0.33 -0.43 -0.14 0.00 -0.03 0.00 0.00 56.01 55.09 2p72 n LEU 175 Cb 1.05 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 42.16 2p72 n LEU 175 CO 0.34 0.12 0.03 -3.20 -1.33 0.00 0.00 177.39 173.35 2p72 n ASN 176 N -1.38 -0.70 -4.46 -1.43 2.85 -0.09 -4.48 115.26 105.57 2p72 n ASN 176 Ca 0.02 -3.31 -0.43 0.00 -0.11 0.00 0.00 54.58 50.74 2p72 n ASN 176 Cb 0.21 0.57 -0.03 0.00 1.24 0.00 0.00 39.78 41.77 2p72 n ASN 176 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2p72 s ILE 178 N 3.33 3.20 0.15 0.00 1.01 -1.26 -1.08 121.20 126.54 2p72 s ILE 178 Ca 0.30 0.26 -0.16 0.00 0.00 0.00 0.00 60.65 61.05 2p72 s ILE 178 Cb -0.09 -3.17 0.01 0.00 0.01 0.00 0.00 42.46 39.22 2p72 s ILE 178 CO -0.02 -0.02 1.81 1.62 0.00 0.00 0.00 174.94 178.32 2p72 h VAL 179 N 5.57 1.09 -0.07 2.92 3.04 -1.40 -0.36 116.25 127.05 2p72 h VAL 179 Ca -0.46 -0.18 -0.15 0.00 -1.01 0.00 0.00 66.70 64.90 2p72 h VAL 179 Cb 1.22 0.52 -0.01 0.00 -2.01 0.00 0.00 31.29 31.01 2p72 h VAL 179 CO 0.94 0.10 -0.62 0.11 -1.01 0.00 0.00 177.57 177.09 2p72 h LYS 180 N 0.52 0.24 0.21 4.17 1.57 -1.84 -3.14 116.57 118.30 2p72 h LYS 180 Ca 0.15 -0.17 -0.32 0.00 -1.87 0.00 0.00 60.65 58.43 2p72 h LYS 180 Cb -0.05 0.03 0.04 0.00 0.08 0.00 0.00 32.23 32.32 2p72 h LYS 180 CO -0.04 0.78 -1.40 0.00 -0.57 0.00 0.00 179.45 178.23 2p72 h ALA 181 N 1.17 -0.10 -2.11 3.86 0.00 -1.84 -3.39 119.26 116.85 2p72 h ALA 181 Ca -0.01 -0.83 -0.59 0.00 0.00 0.00 0.00 54.91 53.49 2p72 h ALA 181 Cb 1.13 0.15 -0.42 0.00 0.00 0.00 0.00 17.79 18.65 2p72 h ALA 181 CO 0.10 0.70 -0.67 0.66 0.00 0.00 0.00 179.25 180.03 2p72 n TYR 182 N -3.74 3.84 0.22 0.00 4.01 -0.17 -4.90 117.16 116.42 2p72 n TYR 182 Ca -0.16 -3.80 0.06 0.00 -0.16 0.00 0.00 57.90 53.85 2p72 n TYR 182 Cb 1.06 -0.40 0.55 0.00 -0.31 0.00 0.00 39.34 40.24 2p72 n TYR 182 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2p72 h PRO 183 N 2.89 0.05 0.00 -0.72 0.13 -1.75 -0.34 132.00 132.26 2p72 h PRO 183 Ca 0.17 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2p72 h PRO 183 Cb 0.60 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.73 2p72 h PRO 183 CO 0.82 0.13 0.00 -0.85 -0.23 0.00 0.00 178.00 177.87 2p72 n GLU 184 N -4.42 0.06 -0.00 0.86 0.00 -1.26 -3.14 120.64 112.74 2p72 n GLU 184 Ca -0.02 0.25 0.05 0.00 0.00 0.00 0.00 57.16 57.44 2p72 n GLU 184 Cb 0.17 -1.50 -0.06 0.00 0.00 0.00 0.00 31.44 30.05 2p72 n GLU 184 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2p72 n HIS 185 N -1.43 0.00 -0.25 -1.84 8.25 -0.15 -4.74 115.22 115.06 2p72 n HIS 185 Ca 0.04 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.46 2p72 n HIS 185 Cb 0.13 -0.09 0.08 0.00 1.12 0.00 0.00 29.99 31.22 2p72 n HIS 185 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2p72 h VAL 186 N 0.00 1.09 -0.97 1.59 2.07 -1.46 -2.49 116.25 116.08 2p72 h VAL 186 Ca 0.00 -0.29 0.16 0.00 0.82 0.00 0.00 66.70 67.38 2p72 h VAL 186 Cb 0.31 0.16 -0.09 0.00 -1.52 0.00 0.00 31.29 30.16 2p72 h VAL 186 CO 0.00 0.16 0.61 0.07 0.02 0.00 0.00 177.57 178.43 2p72 h LYS 187 N 0.86 0.77 -0.24 1.57 2.10 -1.85 -2.61 116.57 117.16 2p72 h LYS 187 Ca 0.28 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.88 2p72 h LYS 187 Cb 0.02 -0.17 0.00 0.00 -0.90 0.00 0.00 32.23 31.17 2p72 h LYS 187 CO -0.11 0.51 0.00 -0.25 -2.00 0.00 0.00 179.45 177.60 2p72 n ASP 188 N -4.64 3.17 -4.82 7.07 8.00 -0.96 -4.91 116.55 119.46 2p72 n ASP 188 Ca 0.20 -1.97 -0.32 0.00 0.71 0.00 0.00 54.79 53.41 2p72 n ASP 188 Cb 0.49 -0.15 0.02 0.00 -0.02 0.00 0.00 41.12 41.46 2p72 n ASP 188 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2p72 s ALA 189 N -1.70 2.77 -0.15 2.24 0.00 -0.99 -4.90 121.76 119.04 2p72 s ALA 189 Ca 0.35 0.24 -0.12 0.00 0.00 0.00 0.00 51.96 52.43 2p72 s ALA 189 Cb 0.22 -3.19 -0.08 0.00 0.00 0.00 0.00 23.12 20.07 2p72 s ALA 189 CO 0.31 -0.88 -0.02 1.25 0.00 0.00 0.00 175.76 176.42 2p72 h LEU 190 N 0.05 0.00 -8.84 0.00 5.85 -0.82 -3.42 115.31 108.14 2p72 h LEU 190 Ca -0.46 -0.16 -0.64 0.00 0.84 0.00 0.00 57.88 57.46 2p72 h LEU 190 Cb 1.21 0.00 -0.19 0.00 0.37 0.00 0.00 40.66 42.05 2p72 h LEU 190 CO 0.58 0.91 -0.58 -0.36 -0.34 0.00 0.00 178.44 178.65 2p72 s PHE 191 N -2.19 3.16 -0.19 1.25 0.08 -0.71 -0.54 117.98 118.85 2p72 s PHE 191 Ca -0.17 -0.15 -0.05 0.00 0.12 0.00 0.00 56.93 56.68 2p72 s PHE 191 Cb 0.03 -2.22 -0.03 0.00 -0.57 0.00 0.00 43.02 40.22 2p72 s PHE 191 CO 0.30 -0.16 0.01 0.08 -0.10 0.00 0.00 175.22 175.35 2p72 s VAL 192 N 1.28 4.12 -0.26 -0.44 1.01 -0.05 -1.91 120.40 124.15 2p72 s VAL 192 Ca 0.05 -0.26 -0.05 0.00 0.00 0.00 0.00 61.98 61.72 2p72 s VAL 192 Cb -0.15 -2.85 -0.00 0.00 0.00 0.00 0.00 36.38 33.38 2p72 s VAL 192 CO 0.04 0.45 0.03 -2.28 0.00 0.00 0.00 175.10 173.34 2p72 s HIS 193 N 0.71 3.07 -0.58 5.22 2.46 -0.24 -0.88 115.29 125.05 2p72 s HIS 193 Ca 0.00 -0.90 -0.04 0.00 0.47 0.00 0.00 55.06 54.59 2p72 s HIS 193 Cb -0.14 -2.19 0.06 0.00 -0.13 0.00 0.00 32.58 30.18 2p72 s HIS 193 CO 0.02 -0.54 2.74 -1.33 -2.47 0.00 0.00 174.74 173.17 2p72 n MET 194 N 4.84 2.74 -2.56 2.88 2.81 0.70 -1.10 117.12 127.44 2p72 n MET 194 Ca -0.16 -2.48 -0.42 0.00 -1.81 0.00 0.00 57.70 52.83 2p72 n MET 194 Cb 0.49 -2.22 -0.03 0.00 -0.71 0.00 0.00 33.22 30.76 2p72 n MET 194 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2p72 n GLY 196 N 3.16 1.95 0.00 0.00 0.00 -1.26 -4.62 105.19 104.42 2p72 n GLY 196 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2p72 n GLY 196 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2p72 n SER 198 N 0.00 0.00 -0.03 1.61 2.88 -1.26 -5.09 113.62 111.73 2p72 n SER 198 Ca 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 2p72 n SER 198 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 2p72 n SER 198 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2p72 h ARG 199 N 0.00 -0.03 -0.80 -1.46 -0.00 -1.99 0.73 114.38 110.82 2p72 h ARG 199 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.98 59.47 2p72 h ARG 199 Cb 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 29.97 29.94 2p72 h ARG 199 CO 0.00 -0.02 0.44 0.00 0.00 0.00 0.00 179.97 180.39 2p72 h ALA 200 N 1.15 1.03 -0.66 0.04 0.00 -2.04 0.10 119.26 118.89 2p72 h ALA 200 Ca 0.10 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2p72 h ALA 200 Cb 0.18 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2p72 h ALA 200 CO -0.21 0.55 0.43 0.93 0.00 0.00 0.00 179.25 180.95 2p72 h GLU 201 N 1.12 0.86 -0.23 0.00 3.07 -1.77 -1.53 114.58 116.09 2p72 h GLU 201 Ca 0.28 -0.05 -0.07 0.00 -0.50 0.00 0.00 59.36 59.02 2p72 h GLU 201 Cb 0.04 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 27.75 2p72 h GLU 201 CO -0.04 0.57 -0.12 0.00 -1.40 0.00 0.00 179.01 178.02 2p72 h ARG 202 N 0.88 0.49 -0.59 2.33 3.08 -0.31 -1.53 114.38 118.73 2p72 h ARG 202 Ca 0.24 -0.22 0.02 0.00 0.07 0.00 0.00 59.98 60.09 2p72 h ARG 202 Cb -0.09 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 2p72 h ARG 202 CO -0.06 0.76 0.38 -0.44 -1.07 0.00 0.00 179.97 179.54 2p72 h ASP 203 N 0.21 0.63 -0.77 7.04 3.45 -0.75 0.18 116.42 126.40 2p72 h ASP 203 Ca 0.05 -0.01 0.04 0.00 0.43 0.00 0.00 57.03 57.54 2p72 h ASP 203 Cb 0.62 -0.15 -0.05 0.00 -0.56 0.00 0.00 39.33 39.19 2p72 h ASP 203 CO 0.03 0.45 0.49 -0.08 -1.57 0.00 0.00 179.24 178.56 2p72 h GLU 204 N 0.76 0.91 -0.12 3.56 4.81 -1.22 -2.42 114.58 120.87 2p72 h GLU 204 Ca 0.23 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 2p72 h GLU 204 Cb -0.03 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.14 2p72 h GLU 204 CO -0.08 0.60 0.03 1.25 -0.73 0.00 0.00 179.01 180.09 2p72 h HIS 205 N 0.94 0.19 0.00 0.92 2.76 -0.68 -3.51 115.15 115.77 2p72 h HIS 205 Ca 0.31 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.46 2p72 h HIS 205 Cb 0.04 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 28.94 2p72 h HIS 205 CO -0.03 0.34 0.00 -1.33 -1.30 0.00 0.00 177.93 175.60