#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p91 h LEU 18 N 0.00 0.00 -3.23 0.99 4.07 -1.92 -2.95 115.31 112.26 2p91 h LEU 18 Ca 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.91 2p91 h LEU 18 Cb 0.00 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.71 2p91 h LEU 18 CO 0.00 0.00 -0.04 0.18 -1.08 0.00 0.00 178.44 177.50 2p91 n LEU 19 N -3.08 3.66 -4.67 1.67 4.77 -0.32 -4.68 117.00 114.34 2p91 n LEU 19 Ca -0.01 -3.27 -0.47 0.00 -0.03 0.00 0.00 56.01 52.23 2p91 n LEU 19 Cb 0.21 -0.55 -0.04 0.00 -2.33 0.00 0.00 43.42 40.71 2p91 n LEU 19 CO 0.24 0.87 1.28 1.21 -1.33 0.00 0.00 177.39 179.66 2p91 n GLU 20 N -0.87 2.16 -0.99 3.23 4.07 -1.12 -1.44 120.64 125.69 2p91 n GLU 20 Ca 0.24 0.78 0.00 0.00 -0.06 0.00 0.00 57.16 58.12 2p91 n GLU 20 Cb 0.89 -2.57 0.00 0.00 -0.06 0.00 0.00 31.44 29.69 2p91 n GLU 20 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2p91 n GLY 21 N 3.69 0.38 3.86 8.31 0.00 -1.23 -4.98 105.19 115.21 2p91 n GLY 21 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 2p91 n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p91 s LYS 22 N -0.59 3.84 -0.18 1.61 -0.14 -0.52 -4.98 119.74 118.78 2p91 s LYS 22 Ca 0.00 0.28 -0.02 0.00 -1.36 0.00 0.00 55.97 54.87 2p91 s LYS 22 Cb 0.00 -3.00 -0.01 0.00 -1.68 0.00 0.00 37.83 33.14 2p91 s LYS 22 CO 0.00 0.55 -0.09 1.03 -0.76 0.00 0.00 175.35 176.08 2p91 s ARG 23 N -1.86 3.38 -0.09 1.68 0.52 -1.26 -0.98 118.95 120.35 2p91 s ARG 23 Ca 0.34 -0.65 0.03 0.00 -0.52 0.00 0.00 55.73 54.93 2p91 s ARG 23 Cb -0.14 -2.83 0.01 0.00 0.52 0.00 0.00 34.95 32.50 2p91 s ARG 23 CO 0.18 -0.01 -0.18 0.00 0.02 0.00 0.00 175.30 175.31 2p91 s ALA 24 N 0.95 1.73 -0.18 2.13 0.00 -0.38 -1.22 121.76 124.78 2p91 s ALA 24 Ca -0.01 -0.71 -0.22 0.00 0.00 0.00 0.00 51.96 51.02 2p91 s ALA 24 Cb -0.15 -0.71 -0.02 0.00 0.00 0.00 0.00 23.12 22.24 2p91 s ALA 24 CO -0.00 0.17 0.67 -1.17 0.00 0.00 0.00 175.76 175.43 2p91 s LEU 25 N 0.56 4.17 -0.32 0.00 2.96 -0.18 -1.78 118.68 124.08 2p91 s LEU 25 Ca -0.16 0.94 -0.09 0.00 -0.22 0.00 0.00 54.13 54.60 2p91 s LEU 25 Cb -0.17 -2.97 0.01 0.00 0.50 0.00 0.00 46.19 43.56 2p91 s LEU 25 CO 0.05 -0.27 0.14 -0.63 -1.32 0.00 0.00 176.35 174.32 2p91 s ILE 26 N 1.80 4.34 0.16 6.68 -1.09 0.10 -0.58 121.20 132.61 2p91 s ILE 26 Ca 0.31 -0.66 0.02 0.00 -2.23 0.00 0.00 60.65 58.10 2p91 s ILE 26 Cb -0.16 -3.28 -0.04 0.00 -1.58 0.00 0.00 42.46 37.40 2p91 s ILE 26 CO 0.11 -0.01 0.31 0.42 -1.23 0.00 0.00 174.94 174.54 2p91 s THR 27 N 1.55 5.30 0.00 2.92 -4.23 -0.74 -2.05 115.64 118.38 2p91 s THR 27 Ca 0.03 -0.65 0.00 0.00 -1.18 0.00 0.00 61.69 59.89 2p91 s THR 27 Cb -0.18 -3.75 0.00 0.00 1.34 0.00 0.00 72.50 69.91 2p91 s THR 27 CO 0.05 -0.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.61 2p91 n GLY 28 N -0.63 0.71 3.68 3.99 0.00 -1.26 -3.93 105.19 107.75 2p91 n GLY 28 Ca -0.07 -0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 2p91 n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2p91 s VAL 29 N -2.00 4.73 -0.13 1.61 1.01 -1.26 -4.54 120.40 119.83 2p91 s VAL 29 Ca 0.00 2.03 -0.00 0.00 0.00 0.00 0.00 61.98 64.01 2p91 s VAL 29 Cb 0.00 -4.31 -0.08 0.00 0.00 0.00 0.00 36.38 32.00 2p91 s VAL 29 CO 0.00 -0.07 -0.12 0.00 0.00 0.00 0.00 175.10 174.91 2p91 n ALA 30 N 5.57 1.80 -3.00 5.51 0.00 -1.26 -4.80 120.51 124.32 2p91 n ALA 30 Ca 0.10 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.01 2p91 n ALA 30 Cb 0.48 0.23 0.00 0.00 0.00 0.00 0.00 19.45 20.16 2p91 n ALA 30 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2p91 n ASN 31 N -2.98 0.00 -0.06 0.00 0.23 -1.26 -4.71 115.26 106.48 2p91 n ASN 31 Ca -0.23 -0.63 0.15 0.00 -0.53 0.00 0.00 54.58 53.34 2p91 n ASN 31 Cb 0.73 0.00 0.81 0.00 -2.08 0.00 0.00 39.78 39.24 2p91 n ASN 31 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2p91 n GLU 32 N 0.00 0.86 0.01 -3.83 1.02 -1.26 -2.69 120.64 114.76 2p91 n GLU 32 Ca 0.00 -0.12 0.11 0.00 -0.02 0.00 0.00 57.16 57.13 2p91 n GLU 32 Cb 0.00 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 29.94 2p91 n GLU 32 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2p91 n ARG 33 N -0.96 0.17 -1.76 3.49 5.12 -1.26 -4.78 116.66 116.68 2p91 n ARG 33 Ca 0.20 -0.01 -0.41 0.00 -1.93 0.00 0.00 57.85 55.69 2p91 n ARG 33 Cb 0.19 -1.55 -0.00 0.00 -1.16 0.00 0.00 32.46 29.94 2p91 n ARG 33 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2p91 n SER 34 N -1.77 3.56 -0.34 0.55 7.64 -1.09 -4.71 113.62 117.46 2p91 n SER 34 Ca 0.03 1.22 0.09 0.00 1.01 0.00 0.00 58.87 61.22 2p91 n SER 34 Cb 0.40 -1.59 0.26 0.00 -1.01 0.00 0.00 64.21 62.27 2p91 n SER 34 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2p91 h ILE 35 N 2.86 0.81 0.00 0.44 2.04 -1.91 -1.44 117.51 120.31 2p91 h ILE 35 Ca -0.50 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.04 2p91 h ILE 35 Cb 1.25 -0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 2p91 h ILE 35 CO 0.64 0.15 -0.14 0.00 0.00 0.00 0.00 178.15 178.80 2p91 h ALA 36 N 1.57 1.39 -0.22 1.87 0.00 -1.86 -1.99 119.26 120.02 2p91 h ALA 36 Ca 0.52 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.24 2p91 h ALA 36 Cb 0.65 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2p91 h ALA 36 CO -0.32 0.18 -0.07 -0.92 0.00 0.00 0.00 179.25 178.12 2p91 h TYR 37 N 0.00 0.50 -0.75 0.00 3.20 -1.53 0.18 116.97 118.57 2p91 h TYR 37 Ca -0.00 -0.11 0.09 0.00 3.14 0.00 0.00 58.73 61.84 2p91 h TYR 37 Cb 0.34 -0.12 -0.07 0.00 1.54 0.00 0.00 36.73 38.42 2p91 h TYR 37 CO 0.00 0.69 0.40 0.78 -1.64 0.00 0.00 178.16 178.39 2p91 h GLY 38 N 0.17 1.13 0.90 1.82 0.00 -1.24 0.69 103.07 106.53 2p91 h GLY 38 Ca 0.06 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 2p91 h GLY 38 CO 0.02 0.11 0.09 -2.22 0.00 0.00 0.00 176.54 174.54 2p91 h ILE 39 N 0.70 1.19 -0.46 2.60 2.04 -1.24 -1.78 117.51 120.56 2p91 h ILE 39 Ca 0.36 -0.61 0.05 0.00 1.00 0.00 0.00 64.86 65.66 2p91 h ILE 39 Cb 0.32 1.09 -0.05 0.00 -0.74 0.00 0.00 36.82 37.45 2p91 h ILE 39 CO -0.24 0.20 0.19 0.00 0.00 0.00 0.00 178.15 178.30 2p91 h ALA 40 N 0.92 0.57 -0.15 1.87 0.00 -0.53 -0.36 119.26 121.58 2p91 h ALA 40 Ca 0.09 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.07 2p91 h ALA 40 Cb 0.23 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2p91 h ALA 40 CO -0.00 -0.18 -0.07 -0.22 0.00 0.00 0.00 179.25 178.78 2p91 h LYS 41 N 0.39 -0.05 -0.53 0.00 3.64 -0.72 0.16 116.57 119.45 2p91 h LYS 41 Ca 0.21 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.57 2p91 h LYS 41 Cb 0.17 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 2p91 h LYS 41 CO -0.19 -0.03 0.22 0.77 -2.27 0.00 0.00 179.45 177.96 2p91 h SER 42 N -0.05 0.73 -0.74 4.20 0.02 -1.10 -1.71 113.55 114.90 2p91 h SER 42 Ca 0.08 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 2p91 h SER 42 Cb 0.17 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.48 2p91 h SER 42 CO -0.18 0.69 0.43 -0.26 -1.14 0.00 0.00 176.83 176.36 2p91 h PHE 43 N 0.72 1.00 0.17 3.45 -1.00 -0.79 -1.55 116.94 118.94 2p91 h PHE 43 Ca 0.18 -0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.94 2p91 h PHE 43 Cb 0.18 -0.32 0.00 0.00 3.61 0.00 0.00 35.95 39.42 2p91 h PHE 43 CO 0.00 0.69 -0.08 1.25 -1.61 0.00 0.00 178.31 178.56 2p91 h HIS 44 N 1.02 -0.22 -0.96 -0.55 2.76 -0.52 -0.95 115.15 115.72 2p91 h HIS 44 Ca 0.26 -0.01 0.27 0.00 -2.20 0.00 0.00 60.37 58.70 2p91 h HIS 44 Cb 0.00 0.07 -0.14 0.00 1.55 0.00 0.00 27.41 28.90 2p91 h HIS 44 CO -0.01 -0.02 0.49 -0.09 -1.30 0.00 0.00 177.93 177.00 2p91 h ARG 45 N -0.37 0.37 -0.48 5.26 2.43 -1.11 -1.24 114.38 119.24 2p91 h ARG 45 Ca -0.02 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2p91 h ARG 45 Cb 0.29 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 2p91 h ARG 45 CO 0.04 0.25 0.00 0.39 -1.51 0.00 0.00 179.97 179.14 2p91 n GLU 46 N -5.04 2.20 -0.40 0.20 -0.58 -0.60 -4.81 120.64 111.62 2p91 n GLU 46 Ca 0.27 -1.58 0.00 0.00 -0.42 0.00 0.00 57.16 55.43 2p91 n GLU 46 Cb 0.81 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 30.25 2p91 n GLU 46 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2p91 n GLY 47 N 1.04 0.79 3.77 0.62 0.00 -0.47 -1.18 105.19 109.77 2p91 n GLY 47 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 2p91 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p91 s ALA 48 N -2.04 3.26 0.12 4.61 0.00 -0.41 -3.51 121.76 123.78 2p91 s ALA 48 Ca 0.00 0.89 -0.24 0.00 0.00 0.00 0.00 51.96 52.62 2p91 s ALA 48 Cb 0.00 -3.34 -0.07 0.00 0.00 0.00 0.00 23.12 19.71 2p91 s ALA 48 CO 0.00 -0.31 0.72 -0.65 0.00 0.00 0.00 175.76 175.52 2p91 s GLN 49 N -1.97 4.46 0.08 0.00 -0.21 -0.15 -4.53 119.66 117.34 2p91 s GLN 49 Ca 0.52 1.03 0.10 0.00 0.02 0.00 0.00 55.36 57.02 2p91 s GLN 49 Cb -0.30 -3.28 -0.03 0.00 1.00 0.00 0.00 33.01 30.40 2p91 s GLN 49 CO 0.38 0.53 -0.27 -0.51 -2.12 0.00 0.00 175.29 173.31 2p91 s LEU 50 N -0.93 2.23 0.05 2.90 1.43 -1.26 -1.25 118.68 121.85 2p91 s LEU 50 Ca 0.34 -0.66 0.05 0.00 -1.03 0.00 0.00 54.13 52.84 2p91 s LEU 50 Cb -0.22 -1.25 -0.02 0.00 0.03 0.00 0.00 46.19 44.73 2p91 s LEU 50 CO 0.24 0.22 -0.14 0.00 0.23 0.00 0.00 176.35 176.90 2p91 s ALA 51 N -0.91 1.13 0.02 4.21 0.00 -0.74 -4.56 121.76 120.91 2p91 s ALA 51 Ca 0.13 -0.89 0.06 0.00 0.00 0.00 0.00 51.96 51.25 2p91 s ALA 51 Cb -0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.87 2p91 s ALA 51 CO 0.04 0.18 -0.17 -0.06 0.00 0.00 0.00 175.76 175.74 2p91 s PHE 52 N -1.06 1.54 0.19 0.00 0.08 0.15 0.00 117.98 118.88 2p91 s PHE 52 Ca -0.01 -0.33 0.01 0.00 0.12 0.00 0.00 56.93 56.72 2p91 s PHE 52 Cb -0.09 -0.94 -0.04 0.00 -0.57 0.00 0.00 43.02 41.38 2p91 s PHE 52 CO 0.02 0.03 0.35 0.95 -0.10 0.00 0.00 175.22 176.47 2p91 s THR 53 N -0.66 5.26 -0.01 0.64 -4.23 -0.87 -1.27 115.64 114.49 2p91 s THR 53 Ca 0.06 -0.54 0.05 0.00 -1.18 0.00 0.00 61.69 60.07 2p91 s THR 53 Cb -0.08 -3.75 -0.01 0.00 1.34 0.00 0.00 72.50 70.00 2p91 s THR 53 CO 0.01 -0.16 -0.16 -0.72 -0.54 0.00 0.00 174.62 173.05 2p91 s TYR 54 N -1.84 1.41 0.08 3.99 -0.85 -0.40 -4.46 117.35 115.27 2p91 s TYR 54 Ca 0.37 -0.27 -0.14 0.00 -0.52 0.00 0.00 57.07 56.50 2p91 s TYR 54 Cb -0.11 -0.90 -0.19 0.00 0.38 0.00 0.00 41.96 41.14 2p91 s TYR 54 CO 0.29 -0.02 1.24 0.00 -1.52 0.00 0.00 175.55 175.54 2p91 h ALA 55 N 5.73 0.21 -2.81 9.51 0.00 -1.87 0.11 119.26 130.13 2p91 h ALA 55 Ca -0.36 -0.62 -0.28 0.00 0.00 0.00 0.00 54.91 53.65 2p91 h ALA 55 Cb 1.16 0.02 -0.19 0.00 0.00 0.00 0.00 17.79 18.78 2p91 h ALA 55 CO 0.48 0.62 -0.73 0.95 0.00 0.00 0.00 179.25 180.58 2p91 s THR 56 N -3.54 0.71 0.47 0.00 -4.23 -1.26 -4.02 115.64 103.76 2p91 s THR 56 Ca -0.11 -1.47 0.25 0.00 -1.18 0.00 0.00 61.69 59.18 2p91 s THR 56 Cb 0.07 -1.12 0.44 0.00 1.34 0.00 0.00 72.50 73.23 2p91 s THR 56 CO 0.90 -0.55 1.84 -0.65 -0.54 0.00 0.00 174.62 175.61 2p91 h PRO 57 N 3.83 0.22 0.00 3.99 0.11 -2.02 -1.37 132.00 136.76 2p91 h PRO 57 Ca -0.36 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.72 2p91 h PRO 57 Cb 1.19 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 2p91 h PRO 57 CO 0.50 0.14 -0.06 1.57 -0.21 0.00 0.00 178.00 179.95 2p91 h LYS 58 N 0.22 0.00 0.00 1.05 2.10 -2.00 -2.62 116.57 115.33 2p91 h LYS 58 Ca 0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.15 2p91 h LYS 58 Cb 1.57 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.90 2p91 h LYS 58 CO -0.13 0.06 -0.45 1.28 -2.00 0.00 0.00 179.45 178.20 2p91 n LEU 59 N -3.25 0.45 -0.08 7.07 4.77 -0.52 -4.52 117.00 120.93 2p91 n LEU 59 Ca -0.01 0.07 -0.07 0.00 -0.03 0.00 0.00 56.01 55.97 2p91 n LEU 59 Cb 0.26 -0.27 -0.01 0.00 -2.33 0.00 0.00 43.42 41.07 2p91 n LEU 59 CO 0.27 0.10 0.71 -0.08 -1.33 0.00 0.00 177.39 177.06 2p91 h GLU 60 N 0.00 -0.18 0.02 3.23 4.81 -1.54 -1.71 114.58 119.21 2p91 h GLU 60 Ca 0.00 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 2p91 h GLU 60 Cb 0.51 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 2p91 h GLU 60 CO 0.00 -0.12 -0.07 -0.22 -0.73 0.00 0.00 179.01 177.87 2p91 h LYS 61 N -0.19 -0.12 -0.29 1.92 3.64 -1.81 -0.32 116.57 119.40 2p91 h LYS 61 Ca 0.16 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.61 2p91 h LYS 61 Cb 0.44 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.24 2p91 h LYS 61 CO -0.43 -0.08 -0.04 -0.09 -2.27 0.00 0.00 179.45 176.54 2p91 h ARG 62 N -0.13 0.03 -0.23 1.90 2.43 -1.78 -1.38 114.38 115.22 2p91 h ARG 62 Ca 0.02 -0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.04 2p91 h ARG 62 Cb 0.15 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 2p91 h ARG 62 CO -0.06 0.02 -0.46 0.28 -1.51 0.00 0.00 179.97 178.24 2p91 h VAL 63 N 0.03 1.31 -0.65 0.20 2.07 -1.14 -1.49 116.25 116.58 2p91 h VAL 63 Ca 0.14 -1.66 -0.05 0.00 0.82 0.00 0.00 66.70 65.94 2p91 h VAL 63 Cb 0.20 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 2p91 h VAL 63 CO -0.27 0.52 0.19 0.03 0.02 0.00 0.00 177.57 178.06 2p91 h ARG 64 N 0.48 1.00 -0.35 1.57 3.08 -0.78 -0.25 114.38 119.13 2p91 h ARG 64 Ca 0.03 -0.21 -0.11 0.00 0.07 0.00 0.00 59.98 59.77 2p91 h ARG 64 Cb 0.99 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 2p91 h ARG 64 CO 0.09 0.87 -0.19 0.93 -1.07 0.00 0.00 179.97 180.60 2p91 h GLU 65 N 0.96 0.75 -0.38 0.04 5.08 -1.04 -1.24 114.58 118.75 2p91 h GLU 65 Ca 0.21 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 2p91 h GLU 65 Cb 0.30 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2p91 h GLU 65 CO -0.01 0.95 0.20 0.82 -1.00 0.00 0.00 179.01 179.98 2p91 h ILE 66 N 0.54 1.16 -0.31 3.13 2.04 -1.15 -1.73 117.51 121.19 2p91 h ILE 66 Ca 0.08 -0.42 0.02 0.00 1.00 0.00 0.00 64.86 65.53 2p91 h ILE 66 Cb 0.74 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 2p91 h ILE 66 CO 0.06 0.16 0.16 0.00 0.00 0.00 0.00 178.15 178.53 2p91 h ALA 67 N 1.05 0.38 -0.48 1.87 0.00 -0.99 -2.78 119.26 118.31 2p91 h ALA 67 Ca 0.13 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.15 2p91 h ALA 67 Cb 0.08 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.73 2p91 h ALA 67 CO -0.02 -0.22 -0.08 -0.22 0.00 0.00 0.00 179.25 178.70 2p91 h LYS 68 N 0.33 0.03 -0.88 0.00 1.63 -1.06 0.62 116.57 117.24 2p91 h LYS 68 Ca 0.13 -0.00 0.25 0.00 -0.85 0.00 0.00 60.65 60.17 2p91 h LYS 68 Cb 0.04 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.62 2p91 h LYS 68 CO -0.09 0.02 0.62 0.78 -3.45 0.00 0.00 179.45 177.34 2p91 h GLY 69 N 0.03 0.12 -1.64 5.01 0.00 -1.04 0.13 103.07 105.68 2p91 h GLY 69 Ca 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.54 2p91 h GLY 69 CO -0.47 -0.00 0.00 0.69 0.00 0.00 0.00 176.54 176.76 2p91 n PHE 70 N -4.31 0.34 -1.12 5.60 3.72 -0.18 -4.94 117.46 116.57 2p91 n PHE 70 Ca 0.18 -0.17 -0.00 0.00 -0.05 0.00 0.00 57.45 57.41 2p91 n PHE 70 Cb 0.91 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.45 2p91 n PHE 70 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2p91 n GLY 71 N 1.33 0.40 3.66 1.37 0.00 0.44 -4.95 105.19 107.45 2p91 n GLY 71 Ca 0.18 -1.06 -0.35 0.00 0.00 0.00 0.00 46.02 44.79 2p91 n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2p91 s SER 72 N -2.99 5.40 -0.04 1.61 0.15 0.03 -4.98 113.70 112.88 2p91 s SER 72 Ca 0.00 0.12 0.15 0.00 0.70 0.00 0.00 55.95 56.92 2p91 s SER 72 Cb 0.00 -1.71 0.45 0.00 -1.71 0.00 0.00 66.02 63.05 2p91 s SER 72 CO 0.00 0.30 1.38 -0.90 1.20 0.00 0.00 173.24 175.22 2p91 n ASP 73 N 2.69 3.49 -4.20 5.45 5.68 -1.26 -2.92 116.55 125.48 2p91 n ASP 73 Ca -0.18 -2.20 -0.41 0.00 -0.50 0.00 0.00 54.79 51.51 2p91 n ASP 73 Cb 0.53 -0.37 -0.08 0.00 -1.14 0.00 0.00 41.12 40.06 2p91 n ASP 73 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 2p91 s LEU 74 N -1.36 5.73 -0.02 -2.12 1.43 -1.26 -5.02 118.68 116.06 2p91 s LEU 74 Ca 0.34 -2.14 0.02 0.00 -1.03 0.00 0.00 54.13 51.32 2p91 s LEU 74 Cb 0.20 -2.00 0.00 0.00 0.03 0.00 0.00 46.19 44.42 2p91 s LEU 74 CO 0.19 -0.63 -0.07 -0.69 0.23 0.00 0.00 176.35 175.39 2p91 s VAL 75 N 1.02 0.57 -0.08 -1.59 1.01 -1.26 -0.67 120.40 119.39 2p91 s VAL 75 Ca 0.09 -0.26 -0.10 0.00 0.00 0.00 0.00 61.98 61.71 2p91 s VAL 75 Cb -0.24 -0.51 0.02 0.00 0.00 0.00 0.00 36.38 35.66 2p91 s VAL 75 CO -0.02 0.18 0.26 0.54 0.00 0.00 0.00 175.10 176.06 2p91 s VAL 76 N 0.16 0.01 0.12 2.92 0.11 -0.39 -4.97 120.40 118.36 2p91 s VAL 76 Ca -0.02 -0.11 -0.30 0.00 -2.93 0.00 0.00 61.98 58.62 2p91 s VAL 76 Cb -0.06 -0.40 -0.07 0.00 -1.53 0.00 0.00 36.38 34.31 2p91 s VAL 76 CO -0.00 -0.06 1.23 -0.75 -3.33 0.00 0.00 175.10 172.19 2p91 s LYS 77 N -0.13 4.44 -0.25 1.54 2.36 -1.26 -1.28 119.74 125.15 2p91 s LYS 77 Ca -0.03 1.87 -0.02 0.00 -2.55 0.00 0.00 55.97 55.24 2p91 s LYS 77 Cb -0.03 -3.28 0.13 0.00 -1.05 0.00 0.00 37.83 33.60 2p91 s LYS 77 CO 0.01 -0.21 0.30 0.00 1.55 0.00 0.00 175.35 177.00 2p91 s ASP 79 N 2.41 6.31 0.00 0.00 -1.08 -1.26 -4.22 116.67 118.83 2p91 s ASP 79 Ca 0.09 -0.48 0.12 0.00 -0.52 0.00 0.00 52.55 51.77 2p91 s ASP 79 Cb -0.15 -2.34 0.57 0.00 -1.46 0.00 0.00 42.92 39.55 2p91 s ASP 79 CO -0.23 -0.90 1.36 1.33 0.52 0.00 0.00 175.17 177.25 2p91 n VAL 80 N 5.87 0.94 0.58 1.11 0.24 -1.26 -1.31 118.33 124.50 2p91 n VAL 80 Ca -0.02 0.23 0.11 0.00 -2.04 0.00 0.00 64.34 62.62 2p91 n VAL 80 Cb 0.47 -1.03 0.43 0.00 -1.47 0.00 0.00 33.84 32.25 2p91 n VAL 80 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2p91 n SER 81 N -1.40 0.32 -4.39 -1.34 3.41 -1.26 -4.72 113.62 104.24 2p91 n SER 81 Ca 0.04 0.56 -0.35 0.00 -0.26 0.00 0.00 58.87 58.86 2p91 n SER 81 Cb 0.12 -0.64 -0.13 0.00 -0.26 0.00 0.00 64.21 63.31 2p91 n SER 81 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2p91 s LEU 82 N -3.67 3.16 0.32 1.04 1.43 -0.43 -4.99 118.68 115.54 2p91 s LEU 82 Ca 0.08 -0.28 0.01 0.00 -1.03 0.00 0.00 54.13 52.91 2p91 s LEU 82 Cb 0.12 -1.81 0.54 0.00 0.03 0.00 0.00 46.19 45.07 2p91 s LEU 82 CO 0.40 0.01 1.96 0.44 0.23 0.00 0.00 176.35 179.38 2p91 h ASP 83 N 7.89 0.86 -0.20 2.29 3.32 -1.86 -2.65 116.42 126.07 2p91 h ASP 83 Ca -0.38 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.55 2p91 h ASP 83 Cb 1.17 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.51 2p91 h ASP 83 CO 0.60 0.59 -0.23 -0.08 -1.72 0.00 0.00 179.24 178.40 2p91 h GLU 84 N 1.00 0.65 -0.54 3.56 4.57 -1.94 -1.44 114.58 120.45 2p91 h GLU 84 Ca 0.32 -0.25 -0.06 0.00 -1.18 0.00 0.00 59.36 58.19 2p91 h GLU 84 Cb 0.04 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 2p91 h GLU 84 CO -0.09 0.83 0.11 -0.44 -1.18 0.00 0.00 179.01 178.23 2p91 h ASP 85 N 0.58 0.80 -0.30 1.04 5.19 -1.76 0.31 116.42 122.27 2p91 h ASP 85 Ca 0.08 -0.15 -0.12 0.00 -0.62 0.00 0.00 57.03 56.22 2p91 h ASP 85 Cb 0.70 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 40.00 2p91 h ASP 85 CO 0.05 0.80 -0.27 0.40 -3.12 0.00 0.00 179.24 177.10 2p91 h ILE 86 N 0.81 1.30 -0.32 0.35 1.08 -1.22 0.02 117.51 119.53 2p91 h ILE 86 Ca 0.17 -1.43 0.02 0.00 -0.39 0.00 0.00 64.86 63.24 2p91 h ILE 86 Cb 0.33 1.54 -0.03 0.00 -3.07 0.00 0.00 36.82 35.60 2p91 h ILE 86 CO 0.00 0.46 0.16 0.50 -0.69 0.00 0.00 178.15 178.58 2p91 h LYS 87 N 0.46 0.32 -0.16 2.37 3.64 -1.15 -1.95 116.57 120.09 2p91 h LYS 87 Ca 0.05 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.33 2p91 h LYS 87 Cb 0.83 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.57 2p91 h LYS 87 CO 0.07 0.21 -0.27 -0.91 -2.27 0.00 0.00 179.45 176.28 2p91 h ASN 88 N 0.33 0.30 -0.23 4.20 2.35 -0.85 -1.49 115.58 120.19 2p91 h ASN 88 Ca 0.13 -0.10 0.01 0.00 -0.55 0.00 0.00 56.30 55.80 2p91 h ASN 88 Cb 0.05 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 2p91 h ASN 88 CO -0.10 0.57 0.11 0.25 -1.65 0.00 0.00 177.43 176.62 2p91 h LEU 89 N 0.27 0.17 -0.43 1.61 5.85 -0.72 0.15 115.31 122.21 2p91 h LEU 89 Ca 0.04 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.81 2p91 h LEU 89 Cb 0.62 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.59 2p91 h LEU 89 CO 0.04 0.13 0.19 0.50 -0.34 0.00 0.00 178.44 178.96 2p91 h LYS 90 N 0.24 0.37 -0.71 1.25 3.64 -0.95 -1.06 116.57 119.34 2p91 h LYS 90 Ca 0.09 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2p91 h LYS 90 Cb 0.02 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.73 2p91 h LYS 90 CO -0.06 0.24 0.46 0.87 -2.27 0.00 0.00 179.45 178.69 2p91 h LYS 91 N 0.38 0.94 -0.37 1.90 1.57 -0.88 0.24 116.57 120.35 2p91 h LYS 91 Ca 0.19 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.94 2p91 h LYS 91 Cb 0.14 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 2p91 h LYS 91 CO -0.16 0.64 0.17 0.35 -0.57 0.00 0.00 179.45 179.88 2p91 h PHE 92 N 0.97 0.31 -0.28 -1.35 3.57 -0.38 -2.18 116.94 117.60 2p91 h PHE 92 Ca 0.26 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.62 2p91 h PHE 92 Cb -0.09 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 2p91 h PHE 92 CO -0.02 0.16 -0.44 -0.07 -2.23 0.00 0.00 178.31 175.70 2p91 h LEU 93 N 0.35 0.76 -1.08 0.59 3.38 -0.80 -2.04 115.31 116.47 2p91 h LEU 93 Ca 0.16 -0.36 0.06 0.00 0.09 0.00 0.00 57.88 57.83 2p91 h LEU 93 Cb 0.09 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.57 2p91 h LEU 93 CO -0.13 1.10 0.62 -0.33 0.09 0.00 0.00 178.44 179.78 2p91 h GLU 94 N 0.57 1.08 0.02 1.13 5.08 -0.87 0.12 114.58 121.70 2p91 h GLU 94 Ca 0.04 -0.06 -0.21 0.00 -1.00 0.00 0.00 59.36 58.12 2p91 h GLU 94 Cb 0.99 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 2p91 h GLU 94 CO 0.09 0.71 -0.95 0.93 -1.00 0.00 0.00 179.01 178.80 2p91 h GLU 95 N 1.11 0.21 0.00 2.33 5.08 -1.22 -3.14 114.58 118.95 2p91 h GLU 95 Ca 0.41 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2p91 h GLU 95 Cb 0.17 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2p91 h GLU 95 CO -0.15 1.01 -1.44 0.09 -1.00 0.00 0.00 179.01 177.52 2p91 n ASN 96 N -3.62 0.85 0.00 1.42 3.02 -0.78 -4.82 115.26 111.33 2p91 n ASN 96 Ca -0.04 -0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.15 2p91 n ASN 96 Cb 0.85 1.51 0.00 0.00 -0.61 0.00 0.00 39.78 41.53 2p91 n ASN 96 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 2p91 n TRP 97 N -1.85 0.00 -0.88 3.10 8.01 0.23 -5.03 117.44 121.02 2p91 n TRP 97 Ca -0.01 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.18 2p91 n TRP 97 Cb 0.39 0.35 0.00 0.00 -2.01 0.00 0.00 31.31 30.04 2p91 n TRP 97 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2p91 n GLY 98 N 1.87 0.64 3.48 6.99 0.00 -0.22 -4.93 105.19 113.02 2p91 n GLY 98 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 2p91 n GLY 98 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2p91 s SER 99 N -2.57 -0.48 -0.15 1.61 1.04 -1.26 -4.96 113.70 106.93 2p91 s SER 99 Ca 0.00 -0.14 -0.13 0.00 0.48 0.00 0.00 55.95 56.16 2p91 s SER 99 Cb 0.00 0.61 0.04 0.00 0.10 0.00 0.00 66.02 66.77 2p91 s SER 99 CO 0.00 -1.02 0.40 -0.22 0.98 0.00 0.00 173.24 173.38 2p91 s LEU 100 N -2.79 0.42 -0.17 2.42 2.96 -0.26 -4.95 118.68 116.31 2p91 s LEU 100 Ca 0.03 0.81 0.01 0.00 -0.22 0.00 0.00 54.13 54.75 2p91 s LEU 100 Cb -0.01 1.35 -0.11 0.00 0.50 0.00 0.00 46.19 47.92 2p91 s LEU 100 CO -0.09 -0.14 -0.15 0.47 -1.32 0.00 0.00 176.35 175.11 2p91 n ASP 101 N 3.03 2.62 -4.08 3.68 8.00 -0.36 -3.99 116.55 125.44 2p91 n ASP 101 Ca -0.14 -0.08 -0.22 0.00 0.71 0.00 0.00 54.79 55.06 2p91 n ASP 101 Cb 0.57 -0.28 -0.15 0.00 -0.02 0.00 0.00 41.12 41.24 2p91 n ASP 101 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2p91 s ILE 102 N -2.34 1.03 -0.14 0.53 1.01 -0.44 -1.06 121.20 119.79 2p91 s ILE 102 Ca -0.23 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 59.89 2p91 s ILE 102 Cb 0.06 -0.87 0.00 0.00 0.01 0.00 0.00 42.46 41.67 2p91 s ILE 102 CO 0.39 0.30 -0.19 -0.63 0.00 0.00 0.00 174.94 174.80 2p91 s ILE 103 N -0.23 2.33 -0.38 2.92 1.01 -0.83 -1.02 121.20 125.00 2p91 s ILE 103 Ca 0.04 -0.89 -0.13 0.00 0.00 0.00 0.00 60.65 59.67 2p91 s ILE 103 Cb -0.06 -1.95 0.02 0.00 0.01 0.00 0.00 42.46 40.48 2p91 s ILE 103 CO -0.00 0.54 0.25 -0.69 0.00 0.00 0.00 174.94 175.03 2p91 s VAL 104 N 0.77 4.97 -0.49 2.92 1.01 0.26 -1.16 120.40 128.68 2p91 s VAL 104 Ca -0.07 -0.65 -0.15 0.00 0.00 0.00 0.00 61.98 61.11 2p91 s VAL 104 Cb -0.16 -3.72 0.10 0.00 0.00 0.00 0.00 36.38 32.60 2p91 s VAL 104 CO -0.00 -0.21 0.42 -2.28 0.00 0.00 0.00 175.10 173.02 2p91 s HIS 105 N 1.64 3.27 -0.54 5.22 5.04 0.52 -1.80 115.29 128.64 2p91 s HIS 105 Ca 0.04 -1.18 0.07 0.00 -1.54 0.00 0.00 55.06 52.45 2p91 s HIS 105 Cb -0.19 -3.41 0.27 0.00 0.04 0.00 0.00 32.58 29.30 2p91 s HIS 105 CO 0.09 -0.90 0.71 0.45 -2.34 0.00 0.00 174.74 172.75 2p91 n SER 106 N 5.18 2.62 -3.83 9.88 2.88 -1.25 -2.72 113.62 126.36 2p91 n SER 106 Ca -0.13 -3.23 -0.25 0.00 -1.33 0.00 0.00 58.87 53.93 2p91 n SER 106 Cb 0.42 -0.64 -0.17 0.00 -0.75 0.00 0.00 64.21 63.07 2p91 n SER 106 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2p91 s ILE 107 N -2.41 0.72 -0.16 2.46 1.01 -1.26 -3.99 121.20 117.57 2p91 s ILE 107 Ca 0.40 -0.17 -0.09 0.00 0.00 0.00 0.00 60.65 60.79 2p91 s ILE 107 Cb 0.19 -0.85 0.06 0.00 0.01 0.00 0.00 42.46 41.87 2p91 s ILE 107 CO -0.06 0.25 0.38 0.00 0.00 0.00 0.00 174.94 175.51 2p91 s ALA 108 N 1.82 -0.97 -0.13 9.38 0.00 -1.26 -4.45 121.76 126.15 2p91 s ALA 108 Ca 0.04 1.44 -0.20 0.00 0.00 0.00 0.00 51.96 53.24 2p91 s ALA 108 Cb -0.13 -0.88 0.05 0.00 0.00 0.00 0.00 23.12 22.16 2p91 s ALA 108 CO -0.07 -0.25 0.51 -0.47 0.00 0.00 0.00 175.76 175.48 2p91 s TYR 109 N 1.36 -0.51 0.01 0.00 5.04 -1.26 -5.00 117.35 116.99 2p91 s TYR 109 Ca -0.09 1.13 -0.04 0.00 -2.44 0.00 0.00 57.07 55.62 2p91 s TYR 109 Cb -0.09 0.21 -0.01 0.00 0.35 0.00 0.00 41.96 42.43 2p91 s TYR 109 CO -0.12 -0.36 0.07 0.00 -1.34 0.00 0.00 175.55 173.80 2p91 s ALA 110 N -0.30 -0.15 0.37 3.97 0.00 -1.26 -4.03 121.76 120.36 2p91 s ALA 110 Ca -0.05 -0.31 -0.26 0.00 0.00 0.00 0.00 51.96 51.34 2p91 s ALA 110 Cb -0.03 0.13 -0.12 0.00 0.00 0.00 0.00 23.12 23.10 2p91 s ALA 110 CO 0.03 -0.19 1.11 -2.30 0.00 0.00 0.00 175.76 174.42 2p91 n PRO 111 N 1.52 1.62 -0.23 0.00 -0.02 -1.26 -4.84 135.00 131.78 2p91 n PRO 111 Ca -0.23 0.57 0.15 0.00 -2.02 0.00 0.00 63.50 61.97 2p91 n PRO 111 Cb 0.55 -2.12 0.45 0.00 -0.02 0.00 0.00 33.50 32.37 2p91 n PRO 111 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2p91 h LYS 112 N 1.95 0.51 -0.26 -0.52 1.57 -2.01 -0.99 116.57 116.82 2p91 h LYS 112 Ca -0.44 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.34 2p91 h LYS 112 Cb 1.32 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.50 2p91 h LYS 112 CO 0.59 0.34 0.18 1.49 -0.57 0.00 0.00 179.45 181.48 2p91 h GLU 113 N 0.53 0.21 0.00 3.15 4.57 -2.03 -2.27 114.58 118.74 2p91 h GLU 113 Ca 0.43 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.59 2p91 h GLU 113 Cb 0.88 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.43 2p91 h GLU 113 CO -0.17 0.14 -0.04 0.93 -1.18 0.00 0.00 179.01 178.69 2p91 h GLU 114 N 0.21 0.00 -0.00 1.92 4.39 -1.52 -1.77 114.58 117.81 2p91 h GLU 114 Ca 0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.81 2p91 h GLU 114 Cb 0.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2p91 h GLU 114 CO -0.02 0.04 -0.25 1.19 -1.16 0.00 0.00 179.01 178.81 2p91 n PHE 115 N -3.26 0.00 -0.04 4.33 3.72 -0.85 -4.50 117.46 116.86 2p91 n PHE 115 Ca -0.01 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.26 2p91 n PHE 115 Cb 0.20 -0.22 -0.07 0.00 -0.94 0.00 0.00 39.48 38.45 2p91 n PHE 115 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2p91 h LYS 116 N 0.54 0.22 0.00 -1.08 1.79 -1.44 -3.43 116.57 113.17 2p91 h LYS 116 Ca 0.00 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 2p91 h LYS 116 Cb 0.46 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 2p91 h LYS 116 CO 0.00 0.57 0.00 0.41 -1.08 0.00 0.00 179.45 179.35 2p91 n GLY 117 N 0.00 0.88 3.80 3.86 0.00 -1.26 -5.02 105.19 107.45 2p91 n GLY 117 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 2p91 n GLY 117 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2p91 s GLY 118 N 0.00 2.70 0.47 -0.02 0.00 -1.26 -4.40 107.32 104.81 2p91 s GLY 118 Ca 0.00 -0.95 0.19 0.00 0.00 0.00 0.00 44.72 43.96 2p91 s GLY 118 CO 0.00 -2.07 1.96 -2.08 0.00 0.00 0.00 173.10 170.91 2p91 h VAL 119 N 1.16 0.79 -0.12 1.40 2.07 -1.92 -0.95 116.25 118.68 2p91 h VAL 119 Ca -0.41 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.05 2p91 h VAL 119 Cb 1.30 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 31.58 2p91 h VAL 119 CO 0.68 0.05 0.15 -0.29 0.02 0.00 0.00 177.57 178.18 2p91 h ILE 120 N 0.26 0.43 -0.02 4.57 2.10 -1.98 -1.50 117.51 121.37 2p91 h ILE 120 Ca 0.31 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.25 2p91 h ILE 120 Cb 0.85 0.88 0.00 0.00 -1.09 0.00 0.00 36.82 37.45 2p91 h ILE 120 CO -0.07 0.00 -0.11 0.47 -1.08 0.00 0.00 178.15 177.37 2p91 n ASP 121 N -3.73 1.79 -4.69 2.19 8.00 -0.36 -4.96 116.55 114.78 2p91 n ASP 121 Ca 0.00 -1.48 -0.44 0.00 0.71 0.00 0.00 54.79 53.58 2p91 n ASP 121 Cb 0.26 0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.40 2p91 n ASP 121 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2p91 n THR 122 N 0.24 0.09 -2.90 -3.53 -1.04 -0.57 -4.99 114.28 101.59 2p91 n THR 122 Ca 0.15 -0.02 -0.33 0.00 -2.04 0.00 0.00 64.05 61.81 2p91 n THR 122 Cb 0.42 -1.74 -0.07 0.00 -1.82 0.00 0.00 70.33 67.12 2p91 n THR 122 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2p91 s SER 123 N 0.97 6.90 0.21 8.00 1.04 -1.26 -4.95 113.70 124.61 2p91 s SER 123 Ca 0.76 1.59 -0.09 0.00 0.48 0.00 0.00 55.95 58.69 2p91 s SER 123 Cb -0.60 -2.50 0.25 0.00 0.10 0.00 0.00 66.02 63.27 2p91 s SER 123 CO 0.36 -0.32 1.81 -0.09 0.98 0.00 0.00 173.24 175.99 2p91 h ARG 124 N 2.02 0.69 -0.34 4.02 2.43 -1.99 -0.80 114.38 120.41 2p91 h ARG 124 Ca -0.49 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 58.55 2p91 h ARG 124 Cb 1.18 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.56 2p91 h ARG 124 CO 0.62 0.46 -0.15 1.49 -1.51 0.00 0.00 179.97 180.88 2p91 h GLU 125 N 0.71 0.70 -0.68 0.20 4.57 -1.99 -1.64 114.58 116.44 2p91 h GLU 125 Ca 0.30 -0.30 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2p91 h GLU 125 Cb 0.18 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.71 2p91 h GLU 125 CO -0.18 0.90 0.42 0.78 -1.18 0.00 0.00 179.01 179.75 2p91 h GLY 126 N 0.47 0.98 0.82 1.92 0.00 -1.91 -1.14 103.07 104.22 2p91 h GLY 126 Ca 0.08 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 2p91 h GLY 126 CO 0.05 0.38 0.03 -2.75 0.00 0.00 0.00 176.54 174.24 2p91 h PHE 127 N 0.93 0.15 -0.27 5.60 3.57 -1.01 -0.76 116.94 125.15 2p91 h PHE 127 Ca 0.25 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.75 2p91 h PHE 127 Cb -0.05 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 2p91 h PHE 127 CO 0.00 0.30 0.14 0.87 -2.23 0.00 0.00 178.31 177.39 2p91 h LYS 128 N -0.05 0.28 -0.21 1.11 1.57 -0.97 -1.53 116.57 116.78 2p91 h LYS 128 Ca 0.03 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2p91 h LYS 128 Cb 0.22 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 2p91 h LYS 128 CO -0.00 0.19 0.11 0.82 -0.57 0.00 0.00 179.45 179.99 2p91 h ILE 129 N 0.29 1.01 -0.23 1.86 2.04 -1.20 -1.42 117.51 119.85 2p91 h ILE 129 Ca 0.11 -0.08 0.03 0.00 1.00 0.00 0.00 64.86 65.92 2p91 h ILE 129 Cb 0.03 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 2p91 h ILE 129 CO -0.07 0.04 0.05 0.00 0.00 0.00 0.00 178.15 178.17 2p91 h ALA 130 N 1.10 0.24 -0.40 1.87 0.00 -0.83 -0.71 119.26 120.53 2p91 h ALA 130 Ca 0.08 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 2p91 h ALA 130 Cb 0.01 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2p91 h ALA 130 CO -0.05 -0.37 -0.00 0.52 0.00 0.00 0.00 179.25 179.35 2p91 h MET 131 N 0.15 0.70 0.44 0.00 2.86 -1.25 -0.26 114.93 117.56 2p91 h MET 131 Ca 0.11 -0.23 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 2p91 h MET 131 Cb 0.10 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 2p91 h MET 131 CO -0.13 0.80 -0.30 0.22 1.06 0.00 0.00 176.91 178.55 2p91 h ASP 132 N 0.53 -0.76 -0.01 1.22 3.58 -1.03 -0.61 116.42 119.35 2p91 h ASP 132 Ca 0.11 0.05 -0.22 0.00 0.42 0.00 0.00 57.03 57.39 2p91 h ASP 132 Cb 0.48 0.23 0.01 0.00 1.72 0.00 0.00 39.33 41.77 2p91 h ASP 132 CO 0.02 -0.46 -0.81 0.40 -2.88 0.00 0.00 179.24 175.51 2p91 h ILE 133 N -0.71 1.31 0.00 2.25 1.08 -1.16 -1.84 117.51 118.43 2p91 h ILE 133 Ca -0.04 -2.07 -0.01 0.00 -0.39 0.00 0.00 64.86 62.34 2p91 h ILE 133 Cb 0.60 2.08 -0.00 0.00 -3.07 0.00 0.00 36.82 36.43 2p91 h ILE 133 CO 0.03 0.64 -0.94 0.28 -0.69 0.00 0.00 178.15 177.47 2p91 h SER 134 N 0.44 0.00 0.00 1.72 0.02 -1.09 -3.38 113.55 111.27 2p91 h SER 134 Ca -0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 2p91 h SER 134 Cb 1.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.97 2p91 h SER 134 CO 0.16 0.04 -0.09 0.52 -1.14 0.00 0.00 176.83 176.31 2p91 n VAL 135 N -2.73 0.74 -0.19 2.27 0.31 -0.38 -4.80 118.33 113.55 2p91 n VAL 135 Ca -0.00 0.25 0.08 0.00 -0.01 0.00 0.00 64.34 64.66 2p91 n VAL 135 Cb 0.57 -1.24 0.38 0.00 -0.91 0.00 0.00 33.84 32.63 2p91 n VAL 135 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 2p91 h TYR 136 N 0.00 0.73 -0.92 3.52 3.20 -0.85 -1.68 116.97 120.97 2p91 h TYR 136 Ca 0.00 0.02 0.20 0.00 3.14 0.00 0.00 58.73 62.08 2p91 h TYR 136 Cb 0.09 -0.24 -0.07 0.00 1.54 0.00 0.00 36.73 38.05 2p91 h TYR 136 CO 0.00 0.36 0.60 0.66 -1.64 0.00 0.00 178.16 178.14 2p91 h SER 137 N 0.70 0.49 -0.48 -2.11 4.64 -1.52 -0.63 113.55 114.64 2p91 h SER 137 Ca 0.34 0.05 -0.03 0.00 -0.47 0.00 0.00 61.79 61.68 2p91 h SER 137 Cb 0.40 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.42 2p91 h SER 137 CO -0.12 0.20 0.17 0.25 -0.87 0.00 0.00 176.83 176.46 2p91 h LEU 138 N 0.49 0.68 -0.01 5.97 5.85 -1.60 -0.82 115.31 125.87 2p91 h LEU 138 Ca 0.49 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 59.02 2p91 h LEU 138 Cb 1.08 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.93 2p91 h LEU 138 CO -0.21 0.68 0.00 0.40 -0.34 0.00 0.00 178.44 178.98 2p91 h ILE 139 N 0.64 1.13 -0.00 4.05 2.04 -1.24 -1.13 117.51 122.99 2p91 h ILE 139 Ca 0.16 -0.37 0.03 0.00 1.00 0.00 0.00 64.86 65.68 2p91 h ILE 139 Cb 0.23 1.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.63 2p91 h ILE 139 CO -0.01 0.10 -0.19 0.00 0.00 0.00 0.00 178.15 178.05 2p91 h ALA 140 N 0.85 -0.23 -0.72 1.87 0.00 -1.14 -0.51 119.26 119.38 2p91 h ALA 140 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2p91 h ALA 140 Cb 0.15 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2p91 h ALA 140 CO -0.00 -0.68 0.42 -0.07 0.00 0.00 0.00 179.25 178.92 2p91 h LEU 141 N -0.30 0.88 -0.07 0.00 3.38 -1.16 -0.79 115.31 117.25 2p91 h LEU 141 Ca 0.06 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2p91 h LEU 141 Cb 0.38 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 2p91 h LEU 141 CO -0.18 0.70 0.03 0.74 0.09 0.00 0.00 178.44 179.82 2p91 h THR 142 N 0.99 1.15 -0.21 0.22 2.02 -0.93 -1.33 112.91 114.83 2p91 h THR 142 Ca 0.26 -0.45 -0.00 0.00 0.77 0.00 0.00 66.41 66.99 2p91 h THR 142 Cb -0.00 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 2p91 h THR 142 CO -0.05 0.13 0.13 -0.09 0.37 0.00 0.00 175.52 176.01 2p91 h ARG 143 N -0.05 0.28 -0.50 6.66 2.43 -1.04 -1.56 114.38 120.60 2p91 h ARG 143 Ca 0.02 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 2p91 h ARG 143 Cb 0.18 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 2p91 h ARG 143 CO -0.00 0.22 -0.13 1.49 -1.51 0.00 0.00 179.97 180.03 2p91 h GLU 144 N 0.26 0.95 0.00 0.20 4.57 -1.10 -3.29 114.58 116.16 2p91 h GLU 144 Ca 0.07 -0.35 0.00 0.00 -1.18 0.00 0.00 59.36 57.90 2p91 h GLU 144 Cb 0.01 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.54 2p91 h GLU 144 CO -0.01 1.02 -0.78 1.28 -1.18 0.00 0.00 179.01 179.33 2p91 n LEU 145 N -4.14 0.69 -0.31 1.64 4.77 -0.51 -4.46 117.00 114.69 2p91 n LEU 145 Ca 0.01 -0.18 0.03 0.00 -0.03 0.00 0.00 56.01 55.85 2p91 n LEU 145 Cb 0.41 -0.13 0.18 0.00 -2.33 0.00 0.00 43.42 41.54 2p91 n LEU 145 CO 0.45 0.15 1.18 0.25 -1.33 0.00 0.00 177.39 178.09 2p91 h LEU 146 N 0.00 0.77 -1.39 2.23 5.85 -1.35 -1.55 115.31 119.88 2p91 h LEU 146 Ca 0.00 0.04 0.14 0.00 0.84 0.00 0.00 57.88 58.90 2p91 h LEU 146 Cb 0.55 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.40 2p91 h LEU 146 CO 0.00 0.45 0.54 -0.65 -0.34 0.00 0.00 178.44 178.44 2p91 h PRO 147 N 0.88 0.60 0.00 5.25 0.11 -1.81 -0.43 132.00 136.60 2p91 h PRO 147 Ca 0.42 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.49 2p91 h PRO 147 Cb 0.35 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.33 2p91 h PRO 147 CO -0.24 0.40 0.00 -0.07 -0.21 0.00 0.00 178.00 177.88 2p91 h LEU 148 N 0.62 0.00 -0.95 2.35 3.38 -1.58 -2.07 115.31 117.05 2p91 h LEU 148 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.38 2p91 h LEU 148 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2p91 h LEU 148 CO -0.17 0.00 -0.15 0.23 0.09 0.00 0.00 178.44 178.44 2p91 n MET 149 N -2.99 1.42 -1.72 1.13 2.81 -0.18 -1.11 117.12 116.50 2p91 n MET 149 Ca -0.01 -0.95 -0.43 0.00 -1.81 0.00 0.00 57.70 54.50 2p91 n MET 149 Cb 0.20 -1.48 -0.03 0.00 -0.71 0.00 0.00 33.22 31.20 2p91 n MET 149 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2p91 n GLU 150 N 0.05 2.62 -0.49 0.03 4.07 -0.78 -1.13 120.64 125.01 2p91 n GLU 150 Ca 0.15 0.94 0.00 0.00 -0.06 0.00 0.00 57.16 58.19 2p91 n GLU 150 Cb 0.40 -2.75 0.00 0.00 -0.06 0.00 0.00 31.44 29.04 2p91 n GLU 150 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2p91 n GLY 151 N 3.30 1.50 3.94 8.31 0.00 -1.26 -5.01 105.19 115.97 2p91 n GLY 151 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 2p91 n GLY 151 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2p91 s ARG 152 N -0.20 3.16 -1.14 1.61 1.81 -0.28 -5.03 118.95 118.88 2p91 s ARG 152 Ca 0.00 -0.96 -0.10 0.00 -1.72 0.00 0.00 55.73 52.95 2p91 s ARG 152 Cb 0.00 -2.76 0.26 0.00 -0.45 0.00 0.00 34.95 32.00 2p91 s ARG 152 CO 0.00 0.26 1.20 0.09 -0.68 0.00 0.00 175.30 176.17 2p91 n ASN 153 N -1.44 5.49 -4.78 0.23 5.03 -1.26 -4.78 115.26 113.74 2p91 n ASN 153 Ca -0.05 -3.04 -0.32 0.00 0.87 0.00 0.00 54.58 52.04 2p91 n ASN 153 Cb 0.58 -1.42 0.05 0.00 -1.02 0.00 0.00 39.78 37.98 2p91 n ASN 153 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2p91 s GLY 154 N 1.54 1.91 -0.04 7.41 0.00 -1.25 -4.92 107.32 111.97 2p91 s GLY 154 Ca 0.33 0.34 -0.03 0.00 0.00 0.00 0.00 44.72 45.37 2p91 s GLY 154 CO -0.06 0.68 0.09 0.00 0.00 0.00 0.00 173.10 173.82 2p91 s ALA 155 N -2.67 -0.22 -0.01 3.20 0.00 -0.23 -1.63 121.76 120.20 2p91 s ALA 155 Ca 0.63 0.28 0.07 0.00 0.00 0.00 0.00 51.96 52.94 2p91 s ALA 155 Cb -0.17 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 2p91 s ALA 155 CO 0.48 -0.05 -0.21 0.42 0.00 0.00 0.00 175.76 176.39 2p91 s ILE 156 N 0.13 1.70 -0.03 0.00 1.01 -0.09 -1.97 121.20 121.94 2p91 s ILE 156 Ca -0.01 -0.97 0.02 0.00 0.00 0.00 0.00 60.65 59.70 2p91 s ILE 156 Cb -0.01 -1.42 0.01 0.00 0.01 0.00 0.00 42.46 41.04 2p91 s ILE 156 CO -0.00 0.44 -0.08 0.54 0.00 0.00 0.00 174.94 175.83 2p91 s VAL 157 N -0.55 0.76 0.35 2.92 0.11 -0.31 -1.59 120.40 122.09 2p91 s VAL 157 Ca 0.08 -0.33 0.09 0.00 -2.93 0.00 0.00 61.98 58.89 2p91 s VAL 157 Cb -0.08 -0.70 -0.07 0.00 -1.53 0.00 0.00 36.38 34.00 2p91 s VAL 157 CO -0.00 0.25 -0.07 0.28 -3.33 0.00 0.00 175.10 172.22 2p91 s THR 158 N 0.35 2.13 -0.16 5.04 -1.32 -0.69 -0.35 115.64 120.64 2p91 s THR 158 Ca -0.06 -2.16 -0.04 0.00 -1.21 0.00 0.00 61.69 58.22 2p91 s THR 158 Cb -0.10 -2.70 -0.03 0.00 -1.51 0.00 0.00 72.50 68.16 2p91 s THR 158 CO 0.01 -0.17 -0.01 -0.76 -2.21 0.00 0.00 174.62 171.47 2p91 s LEU 159 N -3.61 3.40 0.00 9.08 2.01 -1.10 -0.67 118.68 127.78 2p91 s LEU 159 Ca 0.33 -0.07 0.00 0.00 0.01 0.00 0.00 54.13 54.40 2p91 s LEU 159 Cb 0.04 -1.83 -0.00 0.00 0.01 0.00 0.00 46.19 44.41 2p91 s LEU 159 CO 0.16 0.18 0.01 -0.24 1.01 0.00 0.00 176.35 177.47 2p91 n SER 160 N 3.46 1.72 -3.65 2.29 2.88 0.11 -4.92 113.62 115.50 2p91 n SER 160 Ca -0.17 -1.37 -0.15 0.00 -1.33 0.00 0.00 58.87 55.84 2p91 n SER 160 Cb 0.52 0.11 -0.08 0.00 -0.75 0.00 0.00 64.21 64.02 2p91 n SER 160 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 2p91 s TYR 161 N -1.51 -0.40 0.64 0.66 5.04 -1.26 -1.80 117.35 118.72 2p91 s TYR 161 Ca 0.01 0.69 0.27 0.00 -2.44 0.00 0.00 57.07 55.61 2p91 s TYR 161 Cb 0.00 0.23 1.45 0.00 0.35 0.00 0.00 41.96 43.99 2p91 s TYR 161 CO 0.01 -0.48 1.83 -0.92 -1.34 0.00 0.00 175.55 174.65 2p91 h TYR 162 N 3.58 0.00 0.00 4.97 3.20 -1.90 0.13 116.97 126.95 2p91 h TYR 162 Ca -0.28 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.59 2p91 h TYR 162 Cb 1.16 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.43 2p91 h TYR 162 CO 0.46 0.00 0.00 0.78 -1.64 0.00 0.00 178.16 177.76 2p91 h GLY 163 N 0.00 0.00 2.00 1.82 0.00 -1.94 0.03 103.07 104.98 2p91 h GLY 163 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.30 2p91 h GLY 163 CO -0.00 0.00 -0.47 0.00 0.00 0.00 0.00 176.54 176.07 2p91 h ALA 164 N 2.02 1.21 0.00 3.60 0.00 -0.87 -3.36 119.26 121.86 2p91 h ALA 164 Ca 0.00 -0.43 -0.32 0.00 0.00 0.00 0.00 54.91 54.16 2p91 h ALA 164 Cb 0.03 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 2p91 h ALA 164 CO 0.00 0.59 -2.22 0.39 0.00 0.00 0.00 179.25 178.00 2p91 n GLU 165 N -3.96 0.99 -4.27 0.00 1.02 -0.10 -4.38 120.64 109.93 2p91 n GLU 165 Ca -0.02 0.03 -0.15 0.00 -0.02 0.00 0.00 57.16 57.01 2p91 n GLU 165 Cb 0.49 -1.45 -0.10 0.00 -0.02 0.00 0.00 31.44 30.36 2p91 n GLU 165 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2p91 s LYS 166 N -2.43 1.30 -0.30 3.49 -0.14 -0.62 -5.12 119.74 115.91 2p91 s LYS 166 Ca -0.14 -1.69 -0.27 0.00 -1.36 0.00 0.00 55.97 52.51 2p91 s LYS 166 Cb 0.06 -0.09 0.01 0.00 -1.68 0.00 0.00 37.83 36.13 2p91 s LYS 166 CO 0.67 -0.30 0.95 0.08 -0.76 0.00 0.00 175.35 175.98 2p91 s VAL 167 N -3.87 4.65 -0.37 3.17 1.01 -1.26 -4.26 120.40 119.47 2p91 s VAL 167 Ca 0.36 1.53 -0.04 0.00 0.00 0.00 0.00 61.98 63.83 2p91 s VAL 167 Cb 0.07 -4.29 0.08 0.00 0.00 0.00 0.00 36.38 32.24 2p91 s VAL 167 CO 0.12 -0.35 0.14 -0.69 0.00 0.00 0.00 175.10 174.32 2p91 s VAL 168 N 3.31 3.47 0.33 2.92 1.01 -1.26 -5.04 120.40 125.14 2p91 s VAL 168 Ca 0.40 -1.60 -0.27 0.00 0.00 0.00 0.00 61.98 60.50 2p91 s VAL 168 Cb -0.13 -3.16 -0.13 0.00 0.00 0.00 0.00 36.38 32.96 2p91 s VAL 168 CO 0.13 -0.42 1.13 -2.65 0.00 0.00 0.00 175.10 173.30 2p91 n PRO 169 N 4.70 1.69 0.00 2.72 -0.02 -1.26 -1.07 135.00 141.76 2p91 n PRO 169 Ca -0.08 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 2p91 n PRO 169 Cb 0.43 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 2p91 n PRO 169 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2p91 n HIS 170 N 0.15 0.00 0.03 6.00 8.25 -1.26 -4.78 115.22 123.61 2p91 n HIS 170 Ca 0.07 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.46 2p91 n HIS 170 Cb 0.35 -0.14 0.10 0.00 1.12 0.00 0.00 29.99 31.42 2p91 n HIS 170 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 2p91 h TYR 171 N 0.00 0.56 0.00 4.41 3.20 -1.41 -3.42 116.97 120.32 2p91 h TYR 171 Ca 0.00 -0.19 0.00 0.00 3.14 0.00 0.00 58.73 61.68 2p91 h TYR 171 Cb 0.00 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.16 2p91 h TYR 171 CO 0.00 0.88 0.00 0.09 -1.64 0.00 0.00 178.16 177.49 2p91 n ASN 172 N -3.96 0.00 0.10 -2.11 3.02 -1.25 -1.62 115.26 109.44 2p91 n ASN 172 Ca -0.03 0.00 0.18 0.00 -0.03 0.00 0.00 54.58 54.71 2p91 n ASN 172 Cb 0.58 0.00 0.74 0.00 -0.61 0.00 0.00 39.78 40.48 2p91 n ASN 172 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 2p91 h VAL 173 N 0.00 0.62 0.00 2.41 3.04 -1.89 0.21 116.25 120.64 2p91 h VAL 173 Ca 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 66.70 65.64 2p91 h VAL 173 Cb 0.00 0.77 -0.01 0.00 -2.01 0.00 0.00 31.29 30.05 2p91 h VAL 173 CO 0.00 0.00 -0.23 -0.03 -1.01 0.00 0.00 177.57 176.30 2p91 h MET 174 N 0.00 0.00 -0.09 4.17 -1.53 -1.68 0.15 114.93 115.95 2p91 h MET 174 Ca 0.17 0.00 -0.15 0.00 -3.44 0.00 0.00 59.70 56.28 2p91 h MET 174 Cb 0.78 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.82 2p91 h MET 174 CO -0.00 0.23 -0.62 0.78 0.14 0.00 0.00 176.91 177.45 2p91 h GLY 175 N 1.14 0.33 0.67 1.39 0.00 -0.65 0.15 103.07 106.10 2p91 h GLY 175 Ca -0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 2p91 h GLY 175 CO 0.03 0.37 -0.07 -2.22 0.00 0.00 0.00 176.54 174.65 2p91 h ILE 176 N 0.22 0.99 -0.50 2.60 2.04 -1.37 -2.60 117.51 118.89 2p91 h ILE 176 Ca -0.01 -0.68 0.10 0.00 1.00 0.00 0.00 64.86 65.27 2p91 h ILE 176 Cb 1.14 1.40 -0.08 0.00 -0.74 0.00 0.00 36.82 38.53 2p91 h ILE 176 CO 0.10 0.16 -0.02 0.00 0.00 0.00 0.00 178.15 178.39 2p91 h ALA 177 N 0.25 0.45 -0.22 1.87 0.00 -0.88 -1.66 119.26 119.07 2p91 h ALA 177 Ca -0.02 0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 2p91 h ALA 177 Cb 0.41 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2p91 h ALA 177 CO 0.03 -0.40 -0.28 0.87 0.00 0.00 0.00 179.25 179.48 2p91 h LYS 178 N 0.10 0.43 -0.51 0.00 1.79 -0.71 0.19 116.57 117.85 2p91 h LYS 178 Ca 0.25 -0.17 -0.04 0.00 -2.18 0.00 0.00 60.65 58.51 2p91 h LYS 178 Cb 0.38 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.99 2p91 h LYS 178 CO -0.43 0.68 0.15 0.00 -1.08 0.00 0.00 179.45 178.76 2p91 h ALA 179 N 1.33 0.67 -0.82 3.86 0.00 -1.15 -0.75 119.26 122.40 2p91 h ALA 179 Ca 0.05 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2p91 h ALA 179 Cb 0.69 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 2p91 h ALA 179 CO 0.05 0.34 0.50 0.00 0.00 0.00 0.00 179.25 180.15 2p91 h ALA 180 N 1.01 1.05 -0.54 0.00 0.00 -0.81 -2.50 119.26 117.47 2p91 h ALA 180 Ca 0.16 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.00 2p91 h ALA 180 Cb 0.30 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2p91 h ALA 180 CO -0.00 0.50 0.34 1.25 0.00 0.00 0.00 179.25 181.34 2p91 h LEU 181 N 1.12 0.57 -0.77 0.00 5.85 -0.31 0.48 115.31 122.27 2p91 h LEU 181 Ca 0.30 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.91 2p91 h LEU 181 Cb -0.05 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 2p91 h LEU 181 CO -0.06 0.41 -0.12 -0.33 -0.34 0.00 0.00 178.44 178.00 2p91 h GLU 182 N 0.69 0.81 -0.61 1.25 5.08 -0.93 -0.24 114.58 120.62 2p91 h GLU 182 Ca 0.21 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 2p91 h GLU 182 Cb -0.03 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 2p91 h GLU 182 CO -0.07 0.89 0.24 1.03 -1.00 0.00 0.00 179.01 180.10 2p91 h SER 183 N 0.72 0.85 -0.73 1.42 0.87 -1.25 -2.73 113.55 112.71 2p91 h SER 183 Ca 0.12 -0.17 0.04 0.00 -1.23 0.00 0.00 61.79 60.54 2p91 h SER 183 Cb 0.62 -0.22 -0.05 0.00 -0.44 0.00 0.00 62.40 62.31 2p91 h SER 183 CO 0.04 0.79 0.45 0.74 -0.53 0.00 0.00 176.83 178.33 2p91 h THR 184 N 0.86 1.08 -0.49 2.23 2.02 -0.28 -1.86 112.91 116.47 2p91 h THR 184 Ca 0.20 -0.30 0.07 0.00 0.77 0.00 0.00 66.41 67.15 2p91 h THR 184 Cb 0.21 0.13 -0.06 0.00 -1.74 0.00 0.00 68.15 66.70 2p91 h THR 184 CO -0.02 0.16 0.17 0.58 0.37 0.00 0.00 175.52 176.79 2p91 h VAL 185 N 0.88 0.84 0.11 3.16 2.07 -0.87 -0.18 116.25 122.25 2p91 h VAL 185 Ca 0.30 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.70 2p91 h VAL 185 Cb 0.05 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 2p91 h VAL 185 CO -0.12 0.06 -0.11 0.03 0.02 0.00 0.00 177.57 177.45 2p91 h ARG 186 N 0.35 -0.23 -0.61 1.57 3.08 -1.10 -0.14 114.38 117.29 2p91 h ARG 186 Ca 0.23 0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.26 2p91 h ARG 186 Cb 0.24 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 2p91 h ARG 186 CO -0.24 -0.16 0.24 1.88 -1.07 0.00 0.00 179.97 180.63 2p91 h TYR 187 N -0.24 0.93 -0.51 3.04 0.05 -1.17 -2.50 116.97 116.56 2p91 h TYR 187 Ca 0.00 -0.07 -0.05 0.00 0.05 0.00 0.00 58.73 58.66 2p91 h TYR 187 Cb 0.23 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 37.67 2p91 h TYR 187 CO -0.12 0.74 0.11 -0.07 -1.05 0.00 0.00 178.16 177.78 2p91 h LEU 188 N 0.85 0.72 -0.56 3.88 3.38 -0.94 -1.22 115.31 121.42 2p91 h LEU 188 Ca 0.20 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.09 2p91 h LEU 188 Cb 0.20 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 2p91 h LEU 188 CO -0.02 0.72 0.30 0.00 0.09 0.00 0.00 178.44 179.53 2p91 h ALA 189 N 1.38 0.72 -0.30 1.53 0.00 -0.60 0.12 119.26 122.11 2p91 h ALA 189 Ca 0.17 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.10 2p91 h ALA 189 Cb 0.29 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2p91 h ALA 189 CO -0.00 -0.04 0.18 -0.92 0.00 0.00 0.00 179.25 178.47 2p91 h TYR 190 N 0.57 0.33 -0.36 0.00 3.20 -1.05 -2.20 116.97 117.45 2p91 h TYR 190 Ca 0.24 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.11 2p91 h TYR 190 Cb 0.14 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 2p91 h TYR 190 CO -0.09 0.20 0.17 -0.44 -1.64 0.00 0.00 178.16 176.36 2p91 h ASP 191 N 0.36 0.48 0.58 -2.11 3.32 -0.42 -3.30 116.42 115.33 2p91 h ASP 191 Ca 0.12 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.03 2p91 h ASP 191 Cb -0.00 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.42 2p91 h ASP 191 CO -0.05 0.48 -0.63 2.30 -1.72 0.00 0.00 179.24 179.61 2p91 n ILE 192 N -4.72 0.12 -0.37 0.35 -5.35 0.35 -4.04 119.36 105.71 2p91 n ILE 192 Ca -0.01 -0.11 0.01 0.00 -0.27 0.00 0.00 62.75 62.37 2p91 n ILE 192 Cb 0.11 0.16 0.15 0.00 -1.74 0.00 0.00 39.64 38.32 2p91 n ILE 192 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2p91 h ALA 193 N 2.79 1.35 0.00 -1.28 0.00 -1.45 -0.94 119.26 119.73 2p91 h ALA 193 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2p91 h ALA 193 Cb 0.60 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2p91 h ALA 193 CO 0.00 0.54 0.00 0.36 0.00 0.00 0.00 179.25 180.15 2p91 n LYS 194 N -4.45 0.57 -0.03 0.00 2.85 -1.26 -0.98 118.16 114.86 2p91 n LYS 194 Ca 0.14 0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.45 2p91 n LYS 194 Cb 0.11 -1.49 0.05 0.00 -0.65 0.00 0.00 35.03 33.05 2p91 n LYS 194 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 2p91 n HIS 195 N -0.99 0.07 -0.61 5.58 8.25 -0.41 -4.99 115.22 122.12 2p91 n HIS 195 Ca 0.13 -0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2p91 n HIS 195 Cb 0.06 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.17 2p91 n HIS 195 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2p91 n GLY 196 N 0.48 0.64 3.72 -1.41 0.00 -0.15 -4.71 105.19 103.76 2p91 n GLY 196 Ca 0.06 -0.49 -0.23 0.00 0.00 0.00 0.00 46.02 45.36 2p91 n GLY 196 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2p91 s HIS 197 N -2.00 2.88 0.15 1.61 3.76 -0.87 -3.82 115.29 117.00 2p91 s HIS 197 Ca 0.00 -0.17 0.07 0.00 -0.15 0.00 0.00 55.06 54.82 2p91 s HIS 197 Cb 0.00 -1.30 -0.04 0.00 1.11 0.00 0.00 32.58 32.35 2p91 s HIS 197 CO 0.00 0.57 -0.16 1.03 -0.85 0.00 0.00 174.74 175.33 2p91 s ARG 198 N -3.66 1.19 -0.11 1.40 0.52 -0.65 -3.61 118.95 114.03 2p91 s ARG 198 Ca 0.32 -1.36 -0.07 0.00 -0.52 0.00 0.00 55.73 54.09 2p91 s ARG 198 Cb -0.07 -1.16 0.04 0.00 0.52 0.00 0.00 34.95 34.28 2p91 s ARG 198 CO 0.22 0.23 0.27 -1.50 0.02 0.00 0.00 175.30 174.53 2p91 s ILE 199 N -2.17 -0.02 0.15 1.52 2.07 -1.26 -0.92 121.20 120.57 2p91 s ILE 199 Ca 0.14 0.08 -0.01 0.00 -1.41 0.00 0.00 60.65 59.45 2p91 s ILE 199 Cb -0.05 -0.39 -0.04 0.00 0.13 0.00 0.00 42.46 42.11 2p91 s ILE 199 CO 0.05 0.03 0.06 0.20 -1.91 0.00 0.00 174.94 173.37 2p91 s ASN 200 N 0.78 0.41 0.01 4.50 0.01 -0.62 0.15 114.94 120.17 2p91 s ASN 200 Ca -0.05 -1.23 0.07 0.00 -0.71 0.00 0.00 52.86 50.94 2p91 s ASN 200 Cb -0.06 0.28 -0.03 0.00 0.41 0.00 0.00 41.25 41.85 2p91 s ASN 200 CO -0.05 -0.72 -0.20 0.00 -1.51 0.00 0.00 177.10 174.61 2p91 s ALA 201 N -4.01 2.46 -0.33 0.60 0.00 0.47 -1.71 121.76 119.25 2p91 s ALA 201 Ca 0.26 -1.15 -0.12 0.00 0.00 0.00 0.00 51.96 50.96 2p91 s ALA 201 Cb 0.07 -0.70 -0.01 0.00 0.00 0.00 0.00 23.12 22.48 2p91 s ALA 201 CO 0.03 0.55 0.21 0.42 0.00 0.00 0.00 175.76 176.97 2p91 s ILE 202 N -0.80 5.03 -0.79 0.00 1.01 0.15 -0.77 121.20 125.04 2p91 s ILE 202 Ca 0.12 -0.29 -0.22 0.00 0.00 0.00 0.00 60.65 60.26 2p91 s ILE 202 Cb -0.10 -3.58 0.08 0.00 0.01 0.00 0.00 42.46 38.87 2p91 s ILE 202 CO 0.02 0.02 1.11 -0.55 0.00 0.00 0.00 174.94 175.54 2p91 s SER 203 N 1.68 6.34 0.22 3.58 0.15 0.21 0.09 113.70 125.97 2p91 s SER 203 Ca 0.05 -1.29 -0.16 0.00 0.70 0.00 0.00 55.95 55.25 2p91 s SER 203 Cb -0.17 -2.45 -0.08 0.00 -1.71 0.00 0.00 66.02 61.61 2p91 s SER 203 CO 0.09 -1.39 0.66 0.00 1.20 0.00 0.00 173.24 173.80 2p91 s ALA 204 N 3.98 3.46 0.99 5.45 0.00 -0.74 -0.96 121.76 133.93 2p91 s ALA 204 Ca 0.30 0.02 -0.15 0.00 0.00 0.00 0.00 51.96 52.13 2p91 s ALA 204 Cb -0.10 -2.69 0.19 0.00 0.00 0.00 0.00 23.12 20.52 2p91 s ALA 204 CO 0.02 0.38 1.17 0.20 0.00 0.00 0.00 175.76 177.54 2p91 s GLY 205 N -1.86 1.62 0.36 0.00 0.00 -0.62 -4.54 107.32 102.28 2p91 s GLY 205 Ca 0.44 -0.78 -0.28 0.00 0.00 0.00 0.00 44.72 44.09 2p91 s GLY 205 CO 0.20 -0.10 1.51 -4.14 0.00 0.00 0.00 173.10 170.57 2p91 s PRO 206 N -5.45 4.11 -0.00 2.90 0.02 -1.26 -4.90 135.00 130.42 2p91 s PRO 206 Ca 0.68 2.58 0.02 0.00 0.02 0.00 0.00 61.00 64.29 2p91 s PRO 206 Cb -0.11 -2.98 -0.00 0.00 0.02 0.00 0.00 34.50 31.43 2p91 s PRO 206 CO 0.54 -0.56 -0.05 0.08 -0.33 0.00 0.00 177.00 176.68 2p91 s VAL 207 N -0.88 0.41 -0.70 3.83 1.01 -1.26 -4.34 120.40 118.48 2p91 s VAL 207 Ca 0.55 -0.22 -0.27 0.00 0.00 0.00 0.00 61.98 62.04 2p91 s VAL 207 Cb -0.47 -0.35 0.01 0.00 0.00 0.00 0.00 36.38 35.57 2p91 s VAL 207 CO 0.60 0.12 1.48 -0.75 0.00 0.00 0.00 175.10 176.55 2p91 s LYS 208 N -0.11 2.99 0.39 2.72 2.36 -1.26 -4.76 119.74 122.07 2p91 s LYS 208 Ca 0.02 0.05 0.08 0.00 -2.55 0.00 0.00 55.97 53.57 2p91 s LYS 208 Cb -0.02 -4.26 -0.07 0.00 -1.05 0.00 0.00 37.83 32.42 2p91 s LYS 208 CO -0.00 -2.36 -0.02 0.95 1.55 0.00 0.00 175.35 175.47 2p91 s THR 209 N 6.91 2.09 0.28 3.43 -4.23 -1.26 -4.92 115.64 117.94 2p91 s THR 209 Ca 0.46 -2.06 0.02 0.00 -1.18 0.00 0.00 61.69 58.94 2p91 s THR 209 Cb -0.10 -2.89 0.27 0.00 1.34 0.00 0.00 72.50 71.13 2p91 s THR 209 CO 0.17 -0.07 1.80 0.25 -0.54 0.00 0.00 174.62 176.23 2p91 h LEU 210 N 1.84 0.77 -0.32 4.79 6.46 -1.93 -2.80 115.31 124.12 2p91 h LEU 210 Ca -0.43 0.07 -0.19 0.00 -0.12 0.00 0.00 57.88 57.21 2p91 h LEU 210 Cb 1.24 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 41.09 2p91 h LEU 210 CO 0.77 0.35 -0.85 0.00 -0.62 0.00 0.00 178.44 178.09 2p91 h ALA 211 N 1.57 0.57 -1.74 1.25 0.00 -1.96 -3.48 119.26 115.48 2p91 h ALA 211 Ca 0.51 -0.72 -0.65 0.00 0.00 0.00 0.00 54.91 54.05 2p91 h ALA 211 Cb 0.66 -0.09 -0.16 0.00 0.00 0.00 0.00 17.79 18.20 2p91 h ALA 211 CO -0.33 0.94 0.66 0.00 0.00 0.00 0.00 179.25 180.52 2p91 s ALA 212 N -3.21 3.20 0.00 0.00 0.00 -1.06 -5.10 121.76 115.58 2p91 s ALA 212 Ca -0.02 -2.19 0.00 0.00 0.00 0.00 0.00 51.96 49.74 2p91 s ALA 212 Cb 0.10 -3.94 0.00 0.00 0.00 0.00 0.00 23.12 19.29 2p91 s ALA 212 CO 0.82 -2.86 0.00 -0.89 0.00 0.00 0.00 175.76 172.83 2p91 n ILE 215 N 5.80 0.00 -1.69 0.00 2.08 -1.26 -4.78 119.36 119.51 2p91 n ILE 215 Ca 0.07 0.00 -0.45 0.00 0.56 0.00 0.00 62.75 62.93 2p91 n ILE 215 Cb 0.47 0.00 -0.04 0.00 -0.75 0.00 0.00 39.64 39.32 2p91 n ILE 215 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 2p91 n THR 216 N 0.30 0.05 -1.16 1.39 -1.04 -1.26 -1.82 114.28 110.73 2p91 n THR 216 Ca 0.00 -0.01 -0.06 0.00 -2.04 0.00 0.00 64.05 61.94 2p91 n THR 216 Cb 0.00 -1.75 -0.02 0.00 -1.82 0.00 0.00 70.33 66.74 2p91 n THR 216 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2p91 n GLY 217 N 3.71 0.79 0.15 3.41 0.00 -1.26 -4.86 105.19 107.13 2p91 n GLY 217 Ca 0.17 -0.47 -0.06 0.00 0.00 0.00 0.00 46.02 45.66 2p91 n GLY 217 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2p91 h PHE 218 N 0.00 0.10 -0.60 1.61 3.57 -1.67 -0.92 116.94 119.04 2p91 h PHE 218 Ca -0.12 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.45 2p91 h PHE 218 Cb 0.49 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.19 2p91 h PHE 218 CO 0.23 0.01 0.34 1.25 -2.23 0.00 0.00 178.31 177.91 2p91 h HIS 219 N 0.18 0.62 -0.30 0.41 2.76 -1.92 0.70 115.15 117.61 2p91 h HIS 219 Ca 0.16 0.02 -0.13 0.00 -2.20 0.00 0.00 60.37 58.22 2p91 h HIS 219 Cb 0.19 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 28.94 2p91 h HIS 219 CO -0.19 0.32 -0.35 -0.07 -1.30 0.00 0.00 177.93 176.35 2p91 h LEU 220 N 0.65 0.71 -0.16 0.26 3.38 -1.92 -0.24 115.31 117.99 2p91 h LEU 220 Ca 0.26 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2p91 h LEU 220 Cb 0.11 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2p91 h LEU 220 CO -0.14 0.99 0.10 0.25 0.09 0.00 0.00 178.44 179.73 2p91 h LEU 221 N 0.57 0.20 0.09 1.67 5.85 -0.53 0.64 115.31 123.79 2p91 h LEU 221 Ca 0.06 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 2p91 h LEU 221 Cb 0.87 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.85 2p91 h LEU 221 CO 0.08 0.18 -0.05 -0.03 -0.34 0.00 0.00 178.44 178.28 2p91 h MET 222 N 0.20 -0.12 -0.26 1.25 4.05 -0.65 0.32 114.93 119.72 2p91 h MET 222 Ca 0.06 0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.53 2p91 h MET 222 Cb 0.02 0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 30.81 2p91 h MET 222 CO -0.01 -0.08 0.01 1.49 0.23 0.00 0.00 176.91 178.55 2p91 h GLU 223 N -0.13 0.09 -0.47 0.39 4.81 -0.98 -1.22 114.58 117.08 2p91 h GLU 223 Ca -0.01 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 2p91 h GLU 223 Cb 0.10 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 2p91 h GLU 223 CO 0.02 0.06 0.06 1.25 -0.73 0.00 0.00 179.01 179.67 2p91 h HIS 224 N 0.10 0.85 -0.48 0.92 2.76 -0.58 -1.07 115.15 117.65 2p91 h HIS 224 Ca 0.12 -0.13 -0.00 0.00 -2.20 0.00 0.00 60.37 58.16 2p91 h HIS 224 Cb 0.15 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 28.85 2p91 h HIS 224 CO -0.19 0.80 0.29 1.15 -1.30 0.00 0.00 177.93 178.68 2p91 h THR 225 N 0.66 1.15 -0.81 6.26 2.02 -0.82 -1.92 112.91 119.45 2p91 h THR 225 Ca 0.14 -0.34 0.01 0.00 0.77 0.00 0.00 66.41 66.99 2p91 h THR 225 Cb 0.42 0.50 -0.04 0.00 -1.74 0.00 0.00 68.15 67.29 2p91 h THR 225 CO 0.01 0.15 0.53 0.74 0.37 0.00 0.00 175.52 177.32 2p91 h THR 226 N 0.64 1.21 -0.29 3.16 2.02 -0.98 -1.32 112.91 117.36 2p91 h THR 226 Ca 0.17 -0.40 -0.11 0.00 0.77 0.00 0.00 66.41 66.84 2p91 h THR 226 Cb -0.01 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.42 2p91 h THR 226 CO -0.03 0.21 -0.27 0.11 0.37 0.00 0.00 175.52 175.91 2p91 h LYS 227 N 1.10 0.57 0.15 6.66 1.57 -0.98 -3.29 116.57 122.35 2p91 h LYS 227 Ca 0.30 -0.23 -0.34 0.00 -1.87 0.00 0.00 60.65 58.51 2p91 h LYS 227 Cb -0.11 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.17 2p91 h LYS 227 CO -0.06 0.79 -1.74 0.28 -0.57 0.00 0.00 179.45 178.15 2p91 h VAL 228 N 0.50 0.93 -4.01 0.50 2.07 -1.12 -3.45 116.25 111.67 2p91 h VAL 228 Ca 0.07 -2.57 -0.54 0.00 0.82 0.00 0.00 66.70 64.48 2p91 h VAL 228 Cb 0.72 2.69 0.11 0.00 -1.52 0.00 0.00 31.29 33.30 2p91 h VAL 228 CO 0.06 0.83 0.61 0.54 0.02 0.00 0.00 177.57 179.63 2p91 s ASN 229 N -7.09 5.74 0.64 0.57 2.20 -0.52 -4.88 114.94 111.61 2p91 s ASN 229 Ca -0.15 2.70 0.38 0.00 -0.94 0.00 0.00 52.86 54.85 2p91 s ASN 229 Cb 0.06 -2.63 2.06 0.00 -2.00 0.00 0.00 41.25 38.74 2p91 s ASN 229 CO 0.84 -1.24 2.16 1.55 -2.94 0.00 0.00 177.10 177.46 2p91 h PRO 230 N 1.96 0.00 -0.00 3.55 0.13 -1.81 -1.15 132.00 134.69 2p91 h PRO 230 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2p91 h PRO 230 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2p91 h PRO 230 CO 0.60 0.00 -0.63 1.19 -0.23 0.00 0.00 178.00 178.93 2p91 n PHE 231 N -2.94 0.00 -3.14 1.56 3.72 -1.25 -4.97 117.46 110.44 2p91 n PHE 231 Ca -0.03 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.15 2p91 n PHE 231 Cb 0.18 -0.16 0.04 0.00 -0.94 0.00 0.00 39.48 38.60 2p91 n PHE 231 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2p91 n GLY 232 N 1.49 -0.53 3.39 1.37 0.00 -0.44 -4.99 105.19 105.48 2p91 n GLY 232 Ca 0.06 0.15 -0.15 0.00 0.00 0.00 0.00 46.02 46.08 2p91 n GLY 232 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2p91 s LYS 233 N -5.83 0.93 0.76 1.61 -2.85 -1.24 -4.86 119.74 108.26 2p91 s LYS 233 Ca 0.36 -0.06 -0.11 0.00 -1.00 0.00 0.00 55.97 55.15 2p91 s LYS 233 Cb -0.16 0.43 0.05 0.00 -2.06 0.00 0.00 37.83 36.09 2p91 s LYS 233 CO 0.44 -0.30 1.09 -1.25 0.10 0.00 0.00 175.35 175.43 2p91 s PRO 234 N -1.70 2.39 0.86 1.78 0.04 -1.26 -4.84 135.00 132.27 2p91 s PRO 234 Ca -0.10 0.68 -0.12 0.00 0.04 0.00 0.00 61.00 61.50 2p91 s PRO 234 Cb -0.02 -1.95 0.11 0.00 0.04 0.00 0.00 34.50 32.68 2p91 s PRO 234 CO 0.04 -1.42 1.14 0.96 0.04 0.00 0.00 177.00 177.76 2p91 s ILE 235 N -3.16 2.26 0.34 0.56 -4.36 -1.26 -5.00 121.20 110.57 2p91 s ILE 235 Ca 0.60 0.08 0.10 0.00 -0.26 0.00 0.00 60.65 61.17 2p91 s ILE 235 Cb -0.14 -2.89 -0.06 0.00 1.25 0.00 0.00 42.46 40.62 2p91 s ILE 235 CO 0.54 -0.11 -0.09 0.42 0.24 0.00 0.00 174.94 175.94 2p91 s THR 236 N -3.31 2.29 0.48 8.37 -4.23 -1.26 -4.82 115.64 113.15 2p91 s THR 236 Ca 0.63 -2.20 0.22 0.00 -1.18 0.00 0.00 61.69 59.16 2p91 s THR 236 Cb -0.14 -2.64 0.26 0.00 1.34 0.00 0.00 72.50 71.32 2p91 s THR 236 CO 0.53 -0.21 2.09 0.16 -0.54 0.00 0.00 174.62 176.64 2p91 h ILE 237 N 2.02 0.81 -0.21 2.99 3.07 -1.93 -2.11 117.51 122.15 2p91 h ILE 237 Ca -0.42 -0.40 -0.12 0.00 1.55 0.00 0.00 64.86 65.47 2p91 h ILE 237 Cb 1.25 1.23 -0.01 0.00 -0.27 0.00 0.00 36.82 39.02 2p91 h ILE 237 CO 0.69 0.10 -0.37 -0.33 -1.05 0.00 0.00 178.15 177.19 2p91 h GLU 238 N 0.00 0.46 -0.68 0.16 3.07 -1.92 -0.56 114.58 115.11 2p91 h GLU 238 Ca -0.00 -0.22 0.03 0.00 -0.50 0.00 0.00 59.36 58.67 2p91 h GLU 238 Cb 0.23 -0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.09 2p91 h GLU 238 CO 0.01 0.77 0.43 -0.44 -1.40 0.00 0.00 179.01 178.38 2p91 h ASP 239 N 0.39 0.70 -0.33 1.42 3.32 -1.77 -0.51 116.42 119.63 2p91 h ASP 239 Ca 0.04 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.04 2p91 h ASP 239 Cb 0.83 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 2p91 h ASP 239 CO 0.07 0.49 0.03 0.58 -1.72 0.00 0.00 179.24 178.68 2p91 h VAL 240 N 0.84 1.25 -0.38 -1.35 2.07 -1.37 -2.86 116.25 114.44 2p91 h VAL 240 Ca 0.27 -0.89 0.03 0.00 0.82 0.00 0.00 66.70 66.94 2p91 h VAL 240 Cb 0.01 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 2p91 h VAL 240 CO -0.10 0.29 0.17 1.23 0.02 0.00 0.00 177.57 179.18 2p91 h GLY 241 N 0.38 0.51 1.57 2.17 0.00 -0.66 -0.02 103.07 107.01 2p91 h GLY 241 Ca 0.10 -0.11 -0.09 0.00 0.00 0.00 0.00 47.33 47.23 2p91 h GLY 241 CO 0.01 0.07 -0.20 -0.55 0.00 0.00 0.00 176.54 175.88 2p91 h ASP 242 N 0.35 0.50 -0.38 0.19 3.32 -1.12 -0.78 116.42 118.50 2p91 h ASP 242 Ca 0.17 -0.15 -0.08 0.00 0.02 0.00 0.00 57.03 56.98 2p91 h ASP 242 Cb 0.10 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 2p91 h ASP 242 CO -0.14 0.71 -0.09 0.74 -1.72 0.00 0.00 179.24 178.74 2p91 h THR 243 N 0.45 1.28 -0.98 0.35 2.02 -1.24 -2.83 112.91 111.95 2p91 h THR 243 Ca 0.07 -1.17 0.00 0.00 0.77 0.00 0.00 66.41 66.09 2p91 h THR 243 Cb 0.60 1.24 -0.05 0.00 -1.74 0.00 0.00 68.15 68.20 2p91 h THR 243 CO 0.04 0.39 0.63 0.00 0.37 0.00 0.00 175.52 176.94 2p91 h ALA 244 N 0.84 1.25 0.22 6.16 0.00 -0.60 -0.82 119.26 126.31 2p91 h ALA 244 Ca 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2p91 h ALA 244 Cb 0.60 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2p91 h ALA 244 CO 0.04 0.67 -0.23 0.28 0.00 0.00 0.00 179.25 180.01 2p91 h VAL 245 N 1.34 0.51 -0.10 0.00 2.07 -1.07 0.11 116.25 119.11 2p91 h VAL 245 Ca 0.36 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.92 2p91 h VAL 245 Cb -0.11 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 30.12 2p91 h VAL 245 CO -0.07 0.00 -0.21 0.15 0.02 0.00 0.00 177.57 177.46 2p91 h PHE 246 N -0.48 -0.55 0.00 1.57 3.57 -1.20 -1.82 116.94 118.02 2p91 h PHE 246 Ca -0.00 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 2p91 h PHE 246 Cb 0.45 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 2p91 h PHE 246 CO -0.16 -0.29 -0.19 -0.07 -2.23 0.00 0.00 178.31 175.37 2p91 h LEU 247 N -0.28 0.00 -1.95 0.59 3.38 -0.92 -1.82 115.31 114.31 2p91 h LEU 247 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2p91 h LEU 247 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2p91 h LEU 247 CO -0.26 0.19 0.00 0.00 0.09 0.00 0.00 178.44 178.46 2p91 s SER 249 N -1.15 5.54 0.00 0.00 1.04 -0.68 -4.79 113.70 113.66 2p91 s SER 249 Ca 0.37 -0.45 0.20 0.00 0.48 0.00 0.00 55.95 56.55 2p91 s SER 249 Cb 0.20 -0.79 0.92 0.00 0.10 0.00 0.00 66.02 66.44 2p91 s SER 249 CO 0.26 -0.62 1.65 0.47 0.98 0.00 0.00 173.24 175.98 2p91 n ASP 250 N -1.68 0.00 0.23 7.02 8.00 -1.26 -2.35 116.55 126.50 2p91 n ASP 250 Ca 0.04 0.34 0.07 0.00 0.71 0.00 0.00 54.79 55.95 2p91 n ASP 250 Cb 0.60 -0.43 0.55 0.00 -0.02 0.00 0.00 41.12 41.81 2p91 n ASP 250 CO 0.00 0.00 0.00 -0.50 -0.39 0.00 0.00 177.20 176.31 2p91 h TRP 251 N 0.00 0.00 -0.78 1.24 4.06 -1.94 -2.84 115.95 115.69 2p91 h TRP 251 Ca 0.00 0.00 -0.32 0.00 2.06 0.00 0.00 58.89 60.63 2p91 h TRP 251 Cb 0.30 0.00 -0.19 0.00 -1.00 0.00 0.00 29.16 28.27 2p91 h TRP 251 CO 0.00 0.19 0.41 0.00 -3.56 0.00 0.00 178.44 175.47 2p91 n ALA 252 N -2.45 4.81 0.28 1.49 0.00 -0.99 -4.64 120.51 119.01 2p91 n ALA 252 Ca -0.02 -2.32 0.18 0.00 0.00 0.00 0.00 53.44 51.28 2p91 n ALA 252 Cb 0.26 -1.31 0.94 0.00 0.00 0.00 0.00 19.45 19.33 2p91 n ALA 252 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2p91 h ARG 253 N 1.71 0.00 -0.67 0.00 0.11 -1.65 -0.23 114.38 113.64 2p91 h ARG 253 Ca 0.40 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.48 2p91 h ARG 253 Cb 2.42 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.50 2p91 h ARG 253 CO 0.82 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.89 2p91 n ALA 254 N -2.15 2.69 -4.03 0.08 0.00 -1.26 -4.88 120.51 110.96 2p91 n ALA 254 Ca -0.01 -1.45 -0.33 0.00 0.00 0.00 0.00 53.44 51.66 2p91 n ALA 254 Cb 0.26 -0.93 -0.15 0.00 0.00 0.00 0.00 19.45 18.64 2p91 n ALA 254 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2p91 s ILE 255 N -1.41 2.25 0.02 0.00 1.01 -0.10 -5.09 121.20 117.88 2p91 s ILE 255 Ca 0.48 -1.34 -0.11 0.00 0.00 0.00 0.00 60.65 59.69 2p91 s ILE 255 Cb 0.28 -2.19 0.01 0.00 0.01 0.00 0.00 42.46 40.57 2p91 s ILE 255 CO 0.28 0.17 0.23 0.28 0.00 0.00 0.00 174.94 175.90 2p91 s THR 256 N 1.19 0.09 -1.69 2.92 -1.32 -1.26 -4.70 115.64 110.88 2p91 s THR 256 Ca -0.03 -0.74 0.00 0.00 -1.21 0.00 0.00 61.69 59.71 2p91 s THR 256 Cb -0.17 -0.77 0.00 0.00 -1.51 0.00 0.00 72.50 70.04 2p91 s THR 256 CO -0.07 -0.41 0.00 0.61 -2.21 0.00 0.00 174.62 172.54 2p91 n GLY 257 N 0.92 1.59 3.90 6.08 0.00 0.12 -4.96 105.19 112.83 2p91 n GLY 257 Ca -0.20 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.29 2p91 n GLY 257 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2p91 s GLU 258 N -3.32 3.55 -0.30 1.61 2.56 -1.26 -4.66 118.70 116.88 2p91 s GLU 258 Ca 0.00 -0.18 -0.07 0.00 0.00 0.00 0.00 54.97 54.73 2p91 s GLU 258 Cb 0.00 -3.02 0.01 0.00 2.00 0.00 0.00 34.13 33.12 2p91 s GLU 258 CO 0.00 0.61 0.08 0.08 -0.56 0.00 0.00 175.26 175.47 2p91 s VAL 259 N -1.42 3.93 -0.26 3.70 1.01 -1.26 -0.39 120.40 125.71 2p91 s VAL 259 Ca 0.32 -0.74 -0.08 0.00 0.00 0.00 0.00 61.98 61.47 2p91 s VAL 259 Cb -0.13 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 2p91 s VAL 259 CO 0.21 0.05 0.10 -0.69 0.00 0.00 0.00 175.10 174.77 2p91 s VAL 260 N 1.49 4.59 -0.21 2.92 1.01 0.06 -4.90 120.40 125.35 2p91 s VAL 260 Ca 0.02 -0.09 -0.29 0.00 0.00 0.00 0.00 61.98 61.62 2p91 s VAL 260 Cb -0.17 -3.16 -0.01 0.00 0.00 0.00 0.00 36.38 33.04 2p91 s VAL 260 CO 0.02 0.31 1.22 -1.00 0.00 0.00 0.00 175.10 175.65 2p91 s HIS 261 N 1.65 2.92 -0.68 5.22 3.76 -1.26 -0.62 115.29 126.28 2p91 s HIS 261 Ca 0.06 1.07 0.02 0.00 -0.15 0.00 0.00 55.06 56.07 2p91 s HIS 261 Cb -0.15 -3.55 0.17 0.00 1.11 0.00 0.00 32.58 30.16 2p91 s HIS 261 CO 0.06 -1.45 0.48 0.08 -0.85 0.00 0.00 174.74 173.05 2p91 s VAL 262 N 3.62 3.23 0.00 -0.90 1.01 -0.14 -4.84 120.40 122.38 2p91 s VAL 262 Ca 0.53 -3.73 0.00 0.00 0.00 0.00 0.00 61.98 58.77 2p91 s VAL 262 Cb -0.19 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.07 2p91 s VAL 262 CO 0.15 -0.95 0.51 -0.90 0.00 0.00 0.00 175.10 173.91 2p91 n ASP 263 N 2.59 0.00 -2.44 3.32 5.75 -1.26 -1.60 116.55 122.91 2p91 n ASP 263 Ca 0.14 -1.24 -0.16 0.00 -0.01 0.00 0.00 54.79 53.52 2p91 n ASP 263 Cb 0.35 -0.05 -0.01 0.00 -1.03 0.00 0.00 41.12 40.38 2p91 n ASP 263 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2p91 n ASN 264 N 0.00 -4.75 0.00 -1.12 3.02 -1.26 -2.36 115.26 108.80 2p91 n ASN 264 Ca 0.00 0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 2p91 n ASN 264 Cb 0.55 -3.99 0.00 0.00 -0.61 0.00 0.00 39.78 35.73 2p91 n ASN 264 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2p91 n GLY 265 N -0.90 0.76 0.34 7.41 0.00 -1.26 -3.59 105.19 107.95 2p91 n GLY 265 Ca -0.19 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.92 2p91 n GLY 265 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2p91 h TYR 266 N 0.00 0.96 -0.01 1.61 3.20 -1.84 -1.64 116.97 119.25 2p91 h TYR 266 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2p91 h TYR 266 Cb 0.00 -0.29 -0.00 0.00 1.54 0.00 0.00 36.73 37.98 2p91 h TYR 266 CO 0.00 0.29 0.03 1.12 -1.64 0.00 0.00 178.16 177.96 2p91 h HIS 267 N 0.79 0.00 0.00 -3.82 2.07 -1.93 -1.99 115.15 110.27 2p91 h HIS 267 Ca 0.50 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.97 2p91 h HIS 267 Cb 0.64 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.61 2p91 h HIS 267 CO -0.04 0.00 -0.20 -0.84 -3.07 0.00 0.00 177.93 173.77 2p91 h ILE 268 N 0.00 0.42 -3.35 6.12 3.07 -1.72 -3.46 117.51 118.59 2p91 h ILE 268 Ca 0.00 -1.26 -0.53 0.00 1.55 0.00 0.00 64.86 64.63 2p91 h ILE 268 Cb 0.07 1.94 0.01 0.00 -0.27 0.00 0.00 36.82 38.56 2p91 h ILE 268 CO -0.00 0.20 0.53 -0.04 -1.05 0.00 0.00 178.15 177.79 2p91 s MET 269 N -3.39 4.49 0.00 0.16 -1.94 -0.75 -4.92 119.30 112.95 2p91 s MET 269 Ca 0.03 1.77 0.13 0.00 -1.71 0.00 0.00 55.69 55.91 2p91 s MET 269 Cb 0.08 -3.31 0.05 0.00 2.01 0.00 0.00 34.83 33.66 2p91 s MET 269 CO 0.66 -0.14 0.84 0.41 -0.01 0.00 0.00 175.02 176.78 2p91 n GLY 270 N 2.72 -0.08 3.37 -0.03 0.00 -1.26 -4.96 105.19 104.95 2p91 n GLY 270 Ca 0.06 -0.39 -0.20 0.00 0.00 0.00 0.00 46.02 45.50 2p91 n GLY 270 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2p91 s VAL 271 N -1.39 1.86 0.00 1.61 -7.23 -1.26 -5.31 120.40 108.68 2p91 s VAL 271 Ca 0.13 -2.24 0.00 0.00 -1.81 0.00 0.00 61.98 58.06 2p91 s VAL 271 Cb 0.11 -2.11 0.00 0.00 0.56 0.00 0.00 36.38 34.94 2p91 s VAL 271 CO 0.25 -0.55 0.06 0.49 -0.31 0.00 0.00 175.10 175.04