#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p59 s GLU 56 N 0.00 2.82 0.00 5.55 2.02 -1.26 -4.97 118.70 122.86 2p59 s GLU 56 Ca 0.00 -0.70 0.03 0.00 0.02 0.00 0.00 54.97 54.32 2p59 s GLU 56 Cb 0.00 -2.69 -0.03 0.00 0.10 0.00 0.00 34.13 31.50 2p59 s GLU 56 CO 0.00 0.57 -0.06 0.20 0.02 0.00 0.00 175.26 175.99 2p59 s GLY 57 N -2.28 1.77 0.06 -1.39 0.00 -1.03 -4.78 107.32 99.67 2p59 s GLY 57 Ca 0.28 -1.01 0.01 0.00 0.00 0.00 0.00 44.72 43.99 2p59 s GLY 57 CO 0.20 -0.87 1.05 0.83 0.00 0.00 0.00 173.10 174.31 2p59 h GLU 58 N 4.50 0.16 -4.83 2.90 3.07 -1.88 -1.56 114.58 116.94 2p59 h GLU 58 Ca -0.48 -0.28 -0.68 0.00 -0.50 0.00 0.00 59.36 57.42 2p59 h GLU 58 Cb 1.17 0.10 -0.29 0.00 -0.84 0.00 0.00 28.75 28.89 2p59 h GLU 58 CO 0.54 1.06 -0.67 0.08 -1.40 0.00 0.00 179.01 178.62 2p59 s VAL 59 N -2.65 3.46 -0.04 3.13 1.01 -1.26 -1.24 120.40 122.81 2p59 s VAL 59 Ca -0.04 -0.91 -0.09 0.00 0.00 0.00 0.00 61.98 60.94 2p59 s VAL 59 Cb 0.08 -2.81 -0.05 0.00 0.00 0.00 0.00 36.38 33.60 2p59 s VAL 59 CO 0.85 0.09 0.26 0.00 0.00 0.00 0.00 175.10 176.30 2p59 s GLN 60 N 1.41 3.61 -0.59 2.72 0.00 -0.55 -4.96 119.66 121.30 2p59 s GLN 60 Ca 0.01 0.03 -0.21 0.00 -0.00 0.00 0.00 55.36 55.19 2p59 s GLN 60 Cb -0.17 -3.15 0.08 0.00 0.00 0.00 0.00 33.01 29.76 2p59 s GLN 60 CO -0.00 0.71 0.80 0.42 0.00 0.00 0.00 175.29 177.21 2p59 s ILE 61 N -1.15 4.63 0.59 3.63 1.01 -1.26 -0.39 121.20 128.26 2p59 s ILE 61 Ca 0.22 -0.53 0.09 0.00 0.00 0.00 0.00 60.65 60.43 2p59 s ILE 61 Cb -0.14 -4.51 0.09 0.00 0.01 0.00 0.00 42.46 37.91 2p59 s ILE 61 CO 0.11 -1.15 0.81 0.68 0.00 0.00 0.00 174.94 175.39 2p59 s VAL 62 N 3.25 2.11 -0.30 2.92 -7.23 -0.85 -4.98 120.40 115.33 2p59 s VAL 62 Ca 0.18 -0.97 -0.15 0.00 -1.81 0.00 0.00 61.98 59.23 2p59 s VAL 62 Cb -0.19 -2.14 0.15 0.00 0.56 0.00 0.00 36.38 34.76 2p59 s VAL 62 CO 0.10 0.00 0.95 -0.55 -0.31 0.00 0.00 175.10 175.30 2p59 s SER 63 N -4.68 -0.60 0.48 4.85 0.15 -1.26 -2.75 113.70 109.88 2p59 s SER 63 Ca 0.62 0.87 0.05 0.00 0.70 0.00 0.00 55.95 58.19 2p59 s SER 63 Cb -0.05 1.56 0.02 0.00 -1.71 0.00 0.00 66.02 65.84 2p59 s SER 63 CO 0.40 -0.13 0.67 -0.89 1.20 0.00 0.00 173.24 174.49 2p59 s THR 64 N 2.12 2.84 0.45 6.45 2.01 0.57 -5.00 115.64 125.08 2p59 s THR 64 Ca -0.05 -0.85 0.11 0.00 0.31 0.00 0.00 61.69 61.22 2p59 s THR 64 Cb -0.06 -2.99 0.28 0.00 0.01 0.00 0.00 72.50 69.74 2p59 s THR 64 CO -0.17 0.00 2.07 0.00 -0.69 0.00 0.00 174.62 175.83 2p59 h ALA 65 N 0.37 1.87 -0.07 7.40 0.00 -2.01 -3.21 119.26 123.62 2p59 h ALA 65 Ca -0.41 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2p59 h ALA 65 Cb 1.29 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2p59 h ALA 65 CO 0.48 0.09 0.00 0.25 0.00 0.00 0.00 179.25 180.07 2p59 n THR 66 N -4.49 0.30 -3.58 0.00 -2.24 -1.26 -5.03 114.28 97.99 2p59 n THR 66 Ca 0.03 -0.65 -0.10 0.00 -2.27 0.00 0.00 64.05 61.05 2p59 n THR 66 Cb 0.14 0.94 -0.05 0.00 -2.10 0.00 0.00 70.33 69.26 2p59 n THR 66 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2p59 s GLN 67 N -0.68 0.58 -0.02 -0.78 0.74 -1.21 -5.17 119.66 113.12 2p59 s GLN 67 Ca 0.09 0.12 0.01 0.00 0.05 0.00 0.00 55.36 55.63 2p59 s GLN 67 Cb 0.06 0.27 0.01 0.00 1.10 0.00 0.00 33.01 34.46 2p59 s GLN 67 CO 0.08 -0.19 -0.03 -0.08 -0.55 0.00 0.00 175.29 174.53 2p59 s THR 68 N -1.20 0.31 0.00 -0.34 -1.32 -1.26 -0.31 115.64 111.51 2p59 s THR 68 Ca -0.01 -0.06 0.00 0.00 -1.21 0.00 0.00 61.69 60.41 2p59 s THR 68 Cb -0.00 -0.34 0.00 0.00 -1.51 0.00 0.00 72.50 70.65 2p59 s THR 68 CO 0.01 0.14 0.00 2.22 -2.21 0.00 0.00 174.62 174.78 2p59 n PHE 69 N 3.67 0.00 -4.41 9.09 1.16 -1.11 -4.45 117.46 121.40 2p59 n PHE 69 Ca -0.21 0.00 -0.21 0.00 -1.87 0.00 0.00 57.45 55.16 2p59 n PHE 69 Cb 0.53 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.30 2p59 n PHE 69 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2p59 s LEU 70 N 0.00 2.55 0.07 5.98 1.43 -0.45 -2.00 118.68 126.26 2p59 s LEU 70 Ca 0.00 -1.11 0.07 0.00 -1.03 0.00 0.00 54.13 52.06 2p59 s LEU 70 Cb 0.00 -0.75 -0.03 0.00 0.03 0.00 0.00 46.19 45.44 2p59 s LEU 70 CO 0.00 -0.21 -0.19 0.00 0.23 0.00 0.00 176.35 176.18 2p59 s ALA 71 N -2.89 1.59 -0.08 4.21 0.00 0.48 -4.13 121.76 120.94 2p59 s ALA 71 Ca 0.27 -1.09 0.03 0.00 0.00 0.00 0.00 51.96 51.17 2p59 s ALA 71 Cb 0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.87 2p59 s ALA 71 CO 0.11 0.32 -0.17 0.99 0.00 0.00 0.00 175.76 177.01 2p59 s THR 72 N -1.04 2.77 -0.30 0.00 2.01 0.78 -1.49 115.64 118.37 2p59 s THR 72 Ca 0.05 -0.80 -0.19 0.00 0.31 0.00 0.00 61.69 61.06 2p59 s THR 72 Cb -0.09 -2.10 -0.02 0.00 0.01 0.00 0.00 72.50 70.30 2p59 s THR 72 CO 0.03 0.56 0.55 0.00 -0.69 0.00 0.00 174.62 175.07 2p59 s ILE 74 N 2.43 0.52 -1.51 0.00 1.01 0.31 0.27 121.20 124.24 2p59 s ILE 74 Ca 0.22 -0.08 -0.12 0.00 0.00 0.00 0.00 60.65 60.67 2p59 s ILE 74 Cb -0.15 -0.57 0.08 0.00 0.01 0.00 0.00 42.46 41.82 2p59 s ILE 74 CO 0.11 0.24 0.96 0.59 0.00 0.00 0.00 174.94 176.84 2p59 n ASN 75 N 4.29 -4.51 0.00 3.58 3.02 -1.23 -2.07 115.26 118.34 2p59 n ASN 75 Ca -0.21 -0.78 0.00 0.00 -0.03 0.00 0.00 54.58 53.56 2p59 n ASN 75 Cb 0.51 -3.92 0.00 0.00 -0.61 0.00 0.00 39.78 35.76 2p59 n ASN 75 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2p59 n GLY 76 N -1.70 2.40 3.87 7.41 0.00 -1.26 -4.99 105.19 110.91 2p59 n GLY 76 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 2p59 n GLY 76 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2p59 s VAL 77 N -2.78 5.16 -0.53 1.61 1.01 -0.88 -1.42 120.40 122.58 2p59 s VAL 77 Ca 0.00 0.44 -0.17 0.00 0.00 0.00 0.00 61.98 62.25 2p59 s VAL 77 Cb 0.00 -3.62 0.10 0.00 0.00 0.00 0.00 36.38 32.86 2p59 s VAL 77 CO 0.00 0.39 0.53 0.00 0.00 0.00 0.00 175.10 176.02 2p59 s TRP 79 N 2.00 3.48 0.15 0.00 0.52 0.19 -1.92 118.94 123.36 2p59 s TRP 79 Ca 0.07 0.56 -0.18 0.00 0.02 0.00 0.00 56.10 56.56 2p59 s TRP 79 Cb -0.26 -2.04 0.06 0.00 -1.15 0.00 0.00 33.47 30.09 2p59 s TRP 79 CO 0.06 0.21 0.88 -2.37 0.02 0.00 0.00 176.95 175.75 2p59 n THR 80 N -0.94 0.00 -3.14 2.01 5.66 -0.78 -0.16 114.28 116.93 2p59 n THR 80 Ca -0.03 -0.46 -0.39 0.00 -3.05 0.00 0.00 64.05 60.12 2p59 n THR 80 Cb 0.54 0.65 -0.05 0.00 -1.55 0.00 0.00 70.33 69.91 2p59 n THR 80 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 2p59 s VAL 81 N -2.14 4.84 0.38 1.08 -7.23 -1.26 -1.44 120.40 114.63 2p59 s VAL 81 Ca 0.20 1.36 0.07 0.00 -1.81 0.00 0.00 61.98 61.80 2p59 s VAL 81 Cb -0.02 -3.99 0.20 0.00 0.56 0.00 0.00 36.38 33.14 2p59 s VAL 81 CO 0.04 0.41 1.97 0.22 -0.31 0.00 0.00 175.10 177.43 2p59 h TYR 82 N 5.55 0.45 0.00 2.82 5.03 -1.64 -1.33 116.97 127.84 2p59 h TYR 82 Ca -0.45 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 60.84 2p59 h TYR 82 Cb 1.20 -0.14 0.00 0.00 1.55 0.00 0.00 36.73 39.34 2p59 h TYR 82 CO 0.66 0.40 0.00 -2.39 -1.32 0.00 0.00 178.16 175.50 2p59 n HIS 83 N -4.37 0.00 -0.04 -3.82 1.44 -1.26 -0.36 115.22 106.81 2p59 n HIS 83 Ca 0.01 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.66 2p59 n HIS 83 Cb 0.17 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.25 2p59 n HIS 83 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2p59 n GLY 84 N 0.39 -0.12 0.10 -1.39 0.00 -0.60 -4.80 105.19 98.77 2p59 n GLY 84 Ca 0.15 -0.05 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 2p59 n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p59 h ALA 85 N -0.13 0.59 -0.65 4.61 0.00 -1.29 -3.46 119.26 118.93 2p59 h ALA 85 Ca -0.18 -1.38 0.00 0.00 0.00 0.00 0.00 54.91 53.34 2p59 h ALA 85 Cb 1.22 0.52 0.00 0.00 0.00 0.00 0.00 17.79 19.53 2p59 h ALA 85 CO -0.07 1.43 0.00 0.41 0.00 0.00 0.00 179.25 181.02 2p59 n GLY 86 N 1.71 2.33 1.59 0.00 0.00 0.51 -1.83 105.19 109.50 2p59 n GLY 86 Ca -0.21 -0.39 0.08 0.00 0.00 0.00 0.00 46.02 45.49 2p59 n GLY 86 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2p59 n THR 87 N 0.00 2.58 -0.68 2.61 -2.24 -1.26 -4.89 114.28 110.40 2p59 n THR 87 Ca 0.00 -1.53 -0.29 0.00 -2.27 0.00 0.00 64.05 59.96 2p59 n THR 87 Cb 0.00 -0.24 0.25 0.00 -2.10 0.00 0.00 70.33 68.23 2p59 n THR 87 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2p59 s ARG 88 N -2.73 -1.19 0.09 -0.78 3.52 -0.76 -4.84 118.95 112.27 2p59 s ARG 88 Ca 0.51 0.51 0.03 0.00 -0.13 0.00 0.00 55.73 56.66 2p59 s ARG 88 Cb 0.39 -1.55 -0.04 0.00 -1.56 0.00 0.00 34.95 32.19 2p59 s ARG 88 CO 0.14 -3.82 0.08 0.95 -0.81 0.00 0.00 175.30 171.85 2p59 s THR 89 N -2.57 4.49 -0.01 4.11 -4.23 -1.26 -4.37 115.64 111.79 2p59 s THR 89 Ca 0.68 -0.82 -0.19 0.00 -1.18 0.00 0.00 61.69 60.18 2p59 s THR 89 Cb -0.20 -3.18 -0.05 0.00 1.34 0.00 0.00 72.50 70.41 2p59 s THR 89 CO 0.61 0.10 0.55 -0.51 -0.54 0.00 0.00 174.62 174.82 2p59 s ILE 90 N -1.43 4.95 0.59 2.99 2.07 0.03 -4.82 121.20 125.58 2p59 s ILE 90 Ca 0.29 1.14 -0.18 0.00 -1.41 0.00 0.00 60.65 60.49 2p59 s ILE 90 Cb -0.12 -3.88 -0.04 0.00 0.13 0.00 0.00 42.46 38.56 2p59 s ILE 90 CO 0.22 0.44 1.16 0.00 -1.91 0.00 0.00 174.94 174.85 2p59 s ALA 91 N -0.28 2.57 0.19 1.50 0.00 -1.26 -0.90 121.76 123.57 2p59 s ALA 91 Ca 0.29 0.87 -0.10 0.00 0.00 0.00 0.00 51.96 53.01 2p59 s ALA 91 Cb -0.18 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 19.54 2p59 s ALA 91 CO 0.16 -1.06 0.34 -1.54 0.00 0.00 0.00 175.76 173.66 2p59 s SER 92 N -1.82 -0.01 0.00 0.00 1.04 -1.21 -4.83 113.70 106.86 2p59 s SER 92 Ca 0.74 -0.86 0.15 0.00 0.48 0.00 0.00 55.95 56.46 2p59 s SER 92 Cb -0.26 0.48 0.83 0.00 0.10 0.00 0.00 66.02 67.17 2p59 s SER 92 CO 0.32 -0.96 1.40 -0.81 0.98 0.00 0.00 173.24 174.18 2p59 n PRO 93 N -0.26 0.31 -0.11 4.02 -0.04 -1.26 -1.90 135.00 135.76 2p59 n PRO 93 Ca -0.06 0.09 0.06 0.00 -0.04 0.00 0.00 63.50 63.55 2p59 n PRO 93 Cb 0.63 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.70 2p59 n PRO 93 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2p59 n LYS 94 N -1.19 2.31 0.00 0.54 5.02 -1.26 -5.11 118.16 118.48 2p59 n LYS 94 Ca 0.09 -2.18 0.00 0.00 -2.02 0.00 0.00 58.31 54.20 2p59 n LYS 94 Cb 0.10 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 2p59 n LYS 94 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2p59 n GLY 95 N -0.74 1.69 3.77 0.72 0.00 -0.80 -5.03 105.19 104.81 2p59 n GLY 95 Ca 0.11 -2.03 -0.40 0.00 0.00 0.00 0.00 46.02 43.69 2p59 n GLY 95 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2p59 s PRO 96 N -2.06 4.02 -0.09 1.61 0.04 -1.26 -3.36 135.00 133.90 2p59 s PRO 96 Ca 0.00 2.38 0.02 0.00 0.04 0.00 0.00 61.00 63.44 2p59 s PRO 96 Cb 0.00 -2.86 -0.02 0.00 0.04 0.00 0.00 34.50 31.66 2p59 s PRO 96 CO 0.00 -0.53 -0.16 0.08 0.04 0.00 0.00 177.00 176.43 2p59 s VAL 97 N -1.17 2.87 0.37 -0.36 1.01 -0.08 -4.94 120.40 118.10 2p59 s VAL 97 Ca 0.55 -0.75 -0.07 0.00 0.00 0.00 0.00 61.98 61.70 2p59 s VAL 97 Cb -0.43 -2.16 -0.05 0.00 0.00 0.00 0.00 36.38 33.74 2p59 s VAL 97 CO 0.57 0.55 0.69 0.27 0.00 0.00 0.00 175.10 177.18 2p59 s ILE 98 N -0.06 4.90 0.21 2.22 -4.36 -1.26 -0.79 121.20 122.06 2p59 s ILE 98 Ca -0.03 0.32 -0.31 0.00 -0.26 0.00 0.00 60.65 60.36 2p59 s ILE 98 Cb -0.14 -3.76 -0.11 0.00 1.25 0.00 0.00 42.46 39.70 2p59 s ILE 98 CO 0.04 -0.50 1.62 -1.10 0.24 0.00 0.00 174.94 175.25 2p59 s GLN 99 N -3.89 4.17 0.27 0.37 -0.21 -1.26 -4.64 119.66 114.46 2p59 s GLN 99 Ca 0.48 2.50 0.11 0.00 0.02 0.00 0.00 55.36 58.46 2p59 s GLN 99 Cb -0.10 -3.09 0.34 0.00 1.00 0.00 0.00 33.01 31.15 2p59 s GLN 99 CO 0.33 -0.66 1.59 0.52 -2.12 0.00 0.00 175.29 174.96 2p59 h MET 100 N 6.29 0.00 -3.68 2.91 2.86 -0.18 -3.45 114.93 119.69 2p59 h MET 100 Ca -0.44 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 56.90 2p59 h MET 100 Cb 1.21 0.00 -0.33 0.00 0.06 0.00 0.00 31.60 32.54 2p59 h MET 100 CO 0.90 0.62 -0.74 0.71 1.06 0.00 0.00 176.91 179.47 2p59 s TYR 101 N -3.52 0.15 -0.05 -0.22 1.51 -0.46 -4.98 117.35 109.79 2p59 s TYR 101 Ca -0.01 0.05 0.02 0.00 -1.01 0.00 0.00 57.07 56.12 2p59 s TYR 101 Cb 0.12 -0.26 0.02 0.00 -0.11 0.00 0.00 41.96 41.73 2p59 s TYR 101 CO 0.76 -0.08 -0.08 0.99 -1.11 0.00 0.00 175.55 176.03 2p59 s THR 102 N 0.78 0.76 -0.42 -0.71 2.01 -1.26 -0.60 115.64 116.21 2p59 s THR 102 Ca -0.07 -0.27 0.07 0.00 0.31 0.00 0.00 61.69 61.72 2p59 s THR 102 Cb -0.10 -0.73 0.22 0.00 0.01 0.00 0.00 72.50 71.90 2p59 s THR 102 CO -0.02 0.27 0.53 -3.20 -0.69 0.00 0.00 174.62 171.51 2p59 n ASN 103 N 3.84 -0.59 0.14 3.53 2.85 0.12 -4.98 115.26 120.17 2p59 n ASN 103 Ca -0.24 -2.69 0.19 0.00 -0.11 0.00 0.00 54.58 51.74 2p59 n ASN 103 Cb 0.52 -0.18 0.77 0.00 1.24 0.00 0.00 39.78 42.12 2p59 n ASN 103 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 2p59 h VAL 104 N 3.02 0.34 -0.52 3.44 2.07 -1.97 -0.02 116.25 122.62 2p59 h VAL 104 Ca 0.10 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.61 2p59 h VAL 104 Cb 0.92 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 2p59 h VAL 104 CO 0.39 0.00 0.28 0.44 0.02 0.00 0.00 177.57 178.71 2p59 h ASP 105 N 0.00 0.66 -0.71 0.57 3.45 -1.93 -2.90 116.42 115.55 2p59 h ASP 105 Ca 0.15 -0.10 0.00 0.00 0.43 0.00 0.00 57.03 57.52 2p59 h ASP 105 Cb 0.94 -0.17 0.00 0.00 -0.56 0.00 0.00 39.33 39.54 2p59 h ASP 105 CO -0.00 0.56 0.00 0.00 -1.57 0.00 0.00 179.24 178.23 2p59 n GLN 106 N -4.63 2.74 -3.30 3.56 6.02 -0.06 -4.96 117.38 116.76 2p59 n GLN 106 Ca 0.02 -2.63 -0.16 0.00 -0.01 0.00 0.00 57.00 54.23 2p59 n GLN 106 Cb 0.09 -1.55 0.08 0.00 1.02 0.00 0.00 30.24 29.88 2p59 n GLN 106 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2p59 n ASP 107 N 1.57 -2.89 -3.78 1.08 2.03 -0.97 -4.90 116.55 108.70 2p59 n ASP 107 Ca 0.24 -0.53 -0.16 0.00 0.52 0.00 0.00 54.79 54.86 2p59 n ASP 107 Cb 0.61 -4.53 -0.16 0.00 -0.72 0.00 0.00 41.12 36.31 2p59 n ASP 107 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2p59 s LEU 108 N -5.98 1.01 0.19 -2.67 2.96 -1.16 -1.84 118.68 111.20 2p59 s LEU 108 Ca 0.12 0.02 0.08 0.00 -0.22 0.00 0.00 54.13 54.12 2p59 s LEU 108 Cb -0.05 -0.14 -0.05 0.00 0.50 0.00 0.00 46.19 46.46 2p59 s LEU 108 CO 0.64 -0.13 -0.15 0.68 -1.32 0.00 0.00 176.35 176.07 2p59 s VAL 109 N 1.18 1.69 -0.13 1.68 -7.23 -0.52 -0.70 120.40 116.37 2p59 s VAL 109 Ca -0.08 -2.13 -0.06 0.00 -1.81 0.00 0.00 61.98 57.90 2p59 s VAL 109 Cb -0.13 -1.97 0.05 0.00 0.56 0.00 0.00 36.38 34.89 2p59 s VAL 109 CO -0.03 -0.56 0.30 -0.83 -0.31 0.00 0.00 175.10 173.68 2p59 s GLY 110 N -3.16 -0.20 0.48 2.32 0.00 0.23 -1.87 107.32 105.12 2p59 s GLY 110 Ca 0.20 1.17 0.08 0.00 0.00 0.00 0.00 44.72 46.18 2p59 s GLY 110 CO 0.06 1.49 0.57 -0.98 0.00 0.00 0.00 173.10 174.25 2p59 s TRP 111 N 1.46 2.20 0.50 1.90 0.51 -0.81 0.57 118.94 125.27 2p59 s TRP 111 Ca -0.08 -0.58 -0.23 0.00 -2.12 0.00 0.00 56.10 53.09 2p59 s TRP 111 Cb -0.10 -2.22 -0.06 0.00 -0.81 0.00 0.00 33.47 30.28 2p59 s TRP 111 CO -0.10 -0.58 1.32 -2.14 -0.51 0.00 0.00 176.95 174.93 2p59 s PRO 112 N -4.39 3.45 0.17 4.98 0.02 -1.26 0.02 135.00 137.99 2p59 s PRO 112 Ca 0.53 2.14 -0.31 0.00 0.02 0.00 0.00 61.00 63.38 2p59 s PRO 112 Cb -0.06 -2.40 -0.09 0.00 0.02 0.00 0.00 34.50 31.96 2p59 s PRO 112 CO 0.32 -0.91 1.47 0.00 -0.33 0.00 0.00 177.00 177.55 2p59 s ALA 113 N -1.34 3.67 1.02 -1.55 0.00 -0.50 -4.36 121.76 118.69 2p59 s ALA 113 Ca 0.67 1.26 -0.13 0.00 0.00 0.00 0.00 51.96 53.76 2p59 s ALA 113 Cb -0.38 -3.57 0.20 0.00 0.00 0.00 0.00 23.12 19.37 2p59 s ALA 113 CO 0.46 -0.70 1.09 -1.25 0.00 0.00 0.00 175.76 175.36 2p59 s PRO 114 N 0.73 0.27 0.51 0.00 0.04 -1.26 -4.98 135.00 130.32 2p59 s PRO 114 Ca 0.65 0.46 -0.22 0.00 0.04 0.00 0.00 61.00 61.93 2p59 s PRO 114 Cb -0.41 -1.72 -0.06 0.00 0.04 0.00 0.00 34.50 32.35 2p59 s PRO 114 CO 0.34 -2.82 1.21 -0.65 0.04 0.00 0.00 177.00 175.11 2p59 s GLN 115 N -4.99 3.47 0.00 4.56 -0.21 -1.26 -3.27 119.66 117.96 2p59 s GLN 115 Ca 0.66 1.86 0.00 0.00 0.02 0.00 0.00 55.36 57.90 2p59 s GLN 115 Cb -0.18 -2.26 0.00 0.00 1.00 0.00 0.00 33.01 31.57 2p59 s GLN 115 CO 0.58 -0.82 0.00 0.41 -2.12 0.00 0.00 175.29 173.34 2p59 n GLY 116 N 0.48 0.45 3.36 3.09 0.00 -1.26 -5.06 105.19 106.25 2p59 n GLY 116 Ca 0.09 -0.96 -0.19 0.00 0.00 0.00 0.00 46.02 44.97 2p59 n GLY 116 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2p59 s SER 117 N -2.92 2.57 -0.06 1.61 1.04 -1.20 -2.47 113.70 112.27 2p59 s SER 117 Ca 0.00 -1.05 -0.02 0.00 0.48 0.00 0.00 55.95 55.35 2p59 s SER 117 Cb 0.00 -0.14 0.04 0.00 0.10 0.00 0.00 66.02 66.02 2p59 s SER 117 CO 0.00 -0.21 0.12 -0.60 0.98 0.00 0.00 173.24 173.53 2p59 s ARG 118 N -3.67 0.04 0.38 4.02 3.52 -0.59 -4.75 118.95 117.91 2p59 s ARG 118 Ca 0.24 0.37 -0.24 0.00 -0.13 0.00 0.00 55.73 55.97 2p59 s ARG 118 Cb 0.00 -0.24 -0.10 0.00 -1.56 0.00 0.00 34.95 33.06 2p59 s ARG 118 CO 0.08 -0.21 0.98 -1.12 -0.81 0.00 0.00 175.30 174.22 2p59 s SER 119 N 1.45 7.03 0.32 -2.12 0.01 -1.26 -3.78 113.70 115.35 2p59 s SER 119 Ca -0.06 1.87 -0.11 0.00 1.31 0.00 0.00 55.95 58.96 2p59 s SER 119 Cb -0.12 -2.57 -0.07 0.00 0.21 0.00 0.00 66.02 63.46 2p59 s SER 119 CO -0.05 -0.29 0.68 -0.76 0.41 0.00 0.00 173.24 173.23 2p59 s LEU 120 N -2.54 4.02 0.03 2.44 1.43 0.14 -4.87 118.68 119.34 2p59 s LEU 120 Ca 0.56 1.09 -0.18 0.00 -1.03 0.00 0.00 54.13 54.57 2p59 s LEU 120 Cb -0.18 -3.91 -0.06 0.00 0.03 0.00 0.00 46.19 42.08 2p59 s LEU 120 CO 0.23 -0.23 0.52 -0.89 0.23 0.00 0.00 176.35 176.21 2p59 s THR 121 N -2.06 4.88 0.31 5.49 2.01 -1.26 -3.52 115.64 121.48 2p59 s THR 121 Ca 0.51 1.09 -0.29 0.00 0.31 0.00 0.00 61.69 63.30 2p59 s THR 121 Cb -0.11 -3.84 -0.10 0.00 0.01 0.00 0.00 72.50 68.46 2p59 s THR 121 CO 0.24 0.53 1.36 -2.84 -0.69 0.00 0.00 174.62 173.21 2p59 s PRO 122 N -0.87 4.31 0.49 4.92 0.02 -1.26 -0.49 135.00 142.12 2p59 s PRO 122 Ca 0.27 2.27 -0.23 0.00 0.02 0.00 0.00 61.00 63.33 2p59 s PRO 122 Cb -0.18 -3.08 -0.07 0.00 0.02 0.00 0.00 34.50 31.20 2p59 s PRO 122 CO 0.16 -0.28 1.25 0.00 -0.33 0.00 0.00 177.00 177.81 2p59 n THR 124 N -0.62 0.03 0.23 0.00 -2.24 -1.26 -4.83 114.28 105.59 2p59 n THR 124 Ca 0.08 -0.07 0.10 0.00 -2.27 0.00 0.00 64.05 61.89 2p59 n THR 124 Cb 0.46 1.65 0.56 0.00 -2.10 0.00 0.00 70.33 70.91 2p59 n THR 124 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2p59 n GLY 126 N -0.32 0.41 3.62 0.00 0.00 -1.26 -4.95 105.19 102.70 2p59 n GLY 126 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 2p59 n GLY 126 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2p59 n SER 127 N -0.00 -0.11 -0.45 1.61 2.88 -1.26 -4.96 113.62 111.33 2p59 n SER 127 Ca 0.00 0.33 0.05 0.00 -1.33 0.00 0.00 58.87 57.92 2p59 n SER 127 Cb 0.00 -1.43 0.06 0.00 -0.75 0.00 0.00 64.21 62.09 2p59 n SER 127 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2p59 n SER 128 N -4.17 2.04 -4.26 -3.46 7.64 -1.26 -4.86 113.62 105.29 2p59 n SER 128 Ca 0.10 -1.53 -0.44 0.00 1.01 0.00 0.00 58.87 58.02 2p59 n SER 128 Cb 0.52 -0.04 -0.05 0.00 -1.01 0.00 0.00 64.21 63.63 2p59 n SER 128 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2p59 s ASP 129 N -0.89 6.13 0.58 6.43 1.01 -1.26 -0.61 116.67 128.07 2p59 s ASP 129 Ca 0.14 -2.31 0.03 0.00 0.71 0.00 0.00 52.55 51.12 2p59 s ASP 129 Cb 0.09 -2.10 0.07 0.00 1.01 0.00 0.00 42.92 41.98 2p59 s ASP 129 CO 0.13 -0.64 0.81 -0.76 0.21 0.00 0.00 175.17 174.92 2p59 s LEU 130 N 0.76 3.21 -0.11 1.23 1.43 0.48 -3.78 118.68 121.91 2p59 s LEU 130 Ca 0.11 -0.33 -0.05 0.00 -1.03 0.00 0.00 54.13 52.83 2p59 s LEU 130 Cb -0.20 -2.35 0.05 0.00 0.03 0.00 0.00 46.19 43.72 2p59 s LEU 130 CO -0.03 -1.33 0.24 -0.31 0.23 0.00 0.00 176.35 175.15 2p59 s TYR 131 N -2.79 -0.35 -0.16 0.29 1.51 -0.16 -1.32 117.35 114.37 2p59 s TYR 131 Ca 0.60 0.84 -0.12 0.00 -1.01 0.00 0.00 57.07 57.39 2p59 s TYR 131 Cb -0.08 -0.01 -0.05 0.00 -0.11 0.00 0.00 41.96 41.71 2p59 s TYR 131 CO 0.39 -0.28 0.23 -1.17 -1.11 0.00 0.00 175.55 173.61 2p59 s LEU 132 N 1.80 4.27 -0.22 -1.29 0.20 0.30 -1.11 118.68 122.62 2p59 s LEU 132 Ca -0.04 0.44 -0.08 0.00 0.69 0.00 0.00 54.13 55.14 2p59 s LEU 132 Cb -0.11 -2.25 -0.04 0.00 -0.43 0.00 0.00 46.19 43.36 2p59 s LEU 132 CO -0.08 0.19 0.10 -0.69 -0.29 0.00 0.00 176.35 175.57 2p59 s VAL 133 N 0.11 4.85 0.69 1.68 1.01 -1.12 0.64 120.40 128.26 2p59 s VAL 133 Ca 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 61.98 62.09 2p59 s VAL 133 Cb -0.12 -3.24 0.09 0.00 0.00 0.00 0.00 36.38 33.11 2p59 s VAL 133 CO 0.03 0.38 0.97 0.42 0.00 0.00 0.00 175.10 176.89 2p59 s THR 134 N 0.98 2.29 -1.28 3.92 -4.23 0.03 -4.46 115.64 112.89 2p59 s THR 134 Ca 0.05 -0.50 0.16 0.00 -1.18 0.00 0.00 61.69 60.22 2p59 s THR 134 Cb -0.14 -2.79 0.23 0.00 1.34 0.00 0.00 72.50 71.14 2p59 s THR 134 CO 0.03 0.00 1.47 -2.11 -0.54 0.00 0.00 174.62 173.48 2p59 n ARG 135 N -2.79 0.15 -0.19 3.99 1.85 -1.26 -0.61 116.66 117.79 2p59 n ARG 135 Ca 0.12 0.17 0.12 0.00 -1.00 0.00 0.00 57.85 57.26 2p59 n ARG 135 Cb 0.60 -1.50 0.22 0.00 -1.05 0.00 0.00 32.46 30.73 2p59 n ARG 135 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2p59 n HIS 136 N -1.36 0.51 -1.27 2.89 8.25 -1.26 -4.94 115.22 118.03 2p59 n HIS 136 Ca 0.06 -0.25 -0.06 0.00 -0.26 0.00 0.00 57.72 57.21 2p59 n HIS 136 Cb 0.15 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.23 2p59 n HIS 136 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2p59 n ALA 137 N 1.52 -0.10 -1.78 -1.41 0.00 0.22 -5.01 120.51 113.95 2p59 n ALA 137 Ca 0.20 0.09 -0.37 0.00 0.00 0.00 0.00 53.44 53.35 2p59 n ALA 137 Cb 0.61 -0.96 -0.04 0.00 0.00 0.00 0.00 19.45 19.06 2p59 n ALA 137 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2p59 s ASP 138 N -2.91 6.95 -0.23 0.00 1.01 -1.26 -4.78 116.67 115.45 2p59 s ASP 138 Ca 0.00 2.06 -0.07 0.00 0.71 0.00 0.00 52.55 55.25 2p59 s ASP 138 Cb 0.00 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.31 2p59 s ASP 138 CO 0.00 -0.35 0.05 -0.69 0.21 0.00 0.00 175.17 174.38 2p59 s VAL 139 N -1.54 4.24 -0.26 -1.27 1.01 -1.26 -0.79 120.40 120.53 2p59 s VAL 139 Ca 0.54 -0.21 -0.02 0.00 0.00 0.00 0.00 61.98 62.29 2p59 s VAL 139 Cb -0.24 -2.95 0.03 0.00 0.00 0.00 0.00 36.38 33.22 2p59 s VAL 139 CO 0.30 0.38 -0.04 -0.63 0.00 0.00 0.00 175.10 175.11 2p59 s ILE 140 N 1.28 2.93 0.22 2.22 1.01 0.21 -4.90 121.20 124.17 2p59 s ILE 140 Ca 0.04 -1.09 -0.30 0.00 0.00 0.00 0.00 60.65 59.30 2p59 s ILE 140 Cb -0.15 -2.53 -0.09 0.00 0.01 0.00 0.00 42.46 39.70 2p59 s ILE 140 CO 0.03 0.13 1.35 -2.84 0.00 0.00 0.00 174.94 173.61 2p59 s PRO 141 N 1.31 4.35 -0.05 2.79 0.02 -1.26 0.11 135.00 142.27 2p59 s PRO 141 Ca -0.01 2.15 0.01 0.00 0.02 0.00 0.00 61.00 63.16 2p59 s PRO 141 Cb -0.17 -3.16 0.02 0.00 0.02 0.00 0.00 34.50 31.21 2p59 s PRO 141 CO -0.04 -0.31 -0.04 0.08 -0.33 0.00 0.00 177.00 176.37 2p59 s VAL 142 N 0.02 0.53 0.19 3.83 1.01 -0.43 -1.98 120.40 123.57 2p59 s VAL 142 Ca 0.57 -0.11 -0.26 0.00 0.00 0.00 0.00 61.98 62.18 2p59 s VAL 142 Cb -0.38 -0.57 -0.08 0.00 0.00 0.00 0.00 36.38 35.35 2p59 s VAL 142 CO 0.40 0.23 0.83 -0.60 0.00 0.00 0.00 175.10 175.96 2p59 s ARG 143 N 0.99 4.64 -0.01 2.72 6.06 -0.69 -0.38 118.95 132.28 2p59 s ARG 143 Ca -0.10 1.25 -0.21 0.00 -2.50 0.00 0.00 55.73 54.17 2p59 s ARG 143 Cb -0.14 -3.24 -0.05 0.00 0.06 0.00 0.00 34.95 31.58 2p59 s ARG 143 CO -0.00 0.54 0.63 0.50 -2.50 0.00 0.00 175.30 174.47 2p59 s ARG 144 N -1.21 4.36 -0.13 5.12 3.52 0.23 0.07 118.95 130.90 2p59 s ARG 144 Ca 0.38 0.79 0.08 0.00 -0.13 0.00 0.00 55.73 56.85 2p59 s ARG 144 Cb -0.24 -3.36 -0.14 0.00 -1.56 0.00 0.00 34.95 29.65 2p59 s ARG 144 CO 0.28 0.31 -0.01 0.54 -0.81 0.00 0.00 175.30 175.60 2p59 n ARG 145 N 2.91 1.51 -3.91 5.12 5.12 0.78 -4.91 116.66 123.28 2p59 n ARG 145 Ca -0.05 0.02 -0.12 0.00 -1.93 0.00 0.00 57.85 55.76 2p59 n ARG 145 Cb 0.51 -1.32 -0.01 0.00 -1.16 0.00 0.00 32.46 30.48 2p59 n ARG 145 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2p59 n GLY 146 N 2.38 1.63 0.55 -0.13 0.00 -0.76 -4.95 105.19 103.90 2p59 n GLY 146 Ca -0.23 -1.47 0.39 0.00 0.00 0.00 0.00 46.02 44.72 2p59 n GLY 146 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2p59 h ASP 147 N 1.99 0.11 -0.03 1.61 3.45 -1.98 -2.71 116.42 118.86 2p59 h ASP 147 Ca -0.30 0.04 -0.17 0.00 0.43 0.00 0.00 57.03 57.03 2p59 h ASP 147 Cb 1.22 0.03 -0.32 0.00 -0.56 0.00 0.00 39.33 39.70 2p59 h ASP 147 CO 0.40 -0.03 -0.85 -1.54 -1.57 0.00 0.00 179.24 175.65 2p59 n SER 148 N -4.29 0.50 -3.88 6.45 3.41 -1.26 -4.47 113.62 110.07 2p59 n SER 148 Ca 0.33 -2.01 -0.11 0.00 -0.26 0.00 0.00 58.87 56.82 2p59 n SER 148 Cb 1.46 -0.14 -0.13 0.00 -0.26 0.00 0.00 64.21 65.14 2p59 n SER 148 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2p59 s ARG 149 N -0.29 0.16 -0.03 4.33 6.06 -1.02 -1.81 118.95 126.34 2p59 s ARG 149 Ca 0.25 -0.12 -0.24 0.00 -2.50 0.00 0.00 55.73 53.12 2p59 s ARG 149 Cb 0.29 0.06 0.05 0.00 0.06 0.00 0.00 34.95 35.42 2p59 s ARG 149 CO -0.12 -0.03 0.51 0.20 -2.50 0.00 0.00 175.30 173.37 2p59 s GLY 150 N -0.44 -0.39 -0.22 8.12 0.00 -0.74 -0.15 107.32 113.51 2p59 s GLY 150 Ca -0.05 0.85 -0.05 0.00 0.00 0.00 0.00 44.72 45.47 2p59 s GLY 150 CO -0.00 0.56 -0.01 -1.35 0.00 0.00 0.00 173.10 172.30 2p59 s SER 151 N -1.31 4.65 0.40 1.64 1.04 0.11 0.18 113.70 120.42 2p59 s SER 151 Ca -0.12 -0.28 -0.24 0.00 0.48 0.00 0.00 55.95 55.79 2p59 s SER 151 Cb -0.02 -1.80 -0.12 0.00 0.10 0.00 0.00 66.02 64.18 2p59 s SER 151 CO 0.07 0.02 0.91 0.18 0.98 0.00 0.00 173.24 175.40 2p59 n LEU 152 N 4.57 1.93 0.09 2.42 4.32 0.04 -1.70 117.00 128.67 2p59 n LEU 152 Ca -0.17 1.03 -0.06 0.00 -0.02 0.00 0.00 56.01 56.78 2p59 n LEU 152 Cb 0.51 -1.29 0.00 0.00 -1.62 0.00 0.00 43.42 41.03 2p59 n LEU 152 CO 0.30 -1.77 0.28 -0.07 -1.22 0.00 0.00 177.39 174.91 2p59 h LEU 153 N 1.45 0.12 -7.10 2.23 4.07 -1.72 -3.41 115.31 110.95 2p59 h LEU 153 Ca -0.43 -0.10 -0.54 0.00 0.08 0.00 0.00 57.88 56.89 2p59 h LEU 153 Cb 1.35 -0.04 -0.40 0.00 1.08 0.00 0.00 40.66 42.65 2p59 h LEU 153 CO 0.56 0.91 -0.76 -0.44 -1.08 0.00 0.00 178.44 177.63 2p59 s SER 154 N -6.85 3.45 0.31 -0.43 0.01 -1.26 -5.12 113.70 103.80 2p59 s SER 154 Ca -0.01 -1.22 -0.29 0.00 1.31 0.00 0.00 55.95 55.73 2p59 s SER 154 Cb 0.11 -0.62 -0.12 0.00 0.21 0.00 0.00 66.02 65.59 2p59 s SER 154 CO 0.81 -0.38 1.42 -2.65 0.41 0.00 0.00 173.24 172.85 2p59 n PRO 155 N 5.03 2.30 -4.26 12.44 -0.02 -1.26 -4.99 135.00 144.24 2p59 n PRO 155 Ca -0.06 0.81 -0.23 0.00 -2.02 0.00 0.00 63.50 62.01 2p59 n PRO 155 Cb 0.44 -2.48 -0.07 0.00 -0.02 0.00 0.00 33.50 31.37 2p59 n PRO 155 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2p59 s ARG 156 N -1.18 2.37 1.04 -0.52 1.81 -1.06 -4.96 118.95 116.45 2p59 s ARG 156 Ca 0.61 -1.39 -0.16 0.00 -1.72 0.00 0.00 55.73 53.07 2p59 s ARG 156 Cb -0.56 -2.21 0.06 0.00 -0.45 0.00 0.00 34.95 31.79 2p59 s ARG 156 CO 0.56 0.35 0.09 -2.30 -0.68 0.00 0.00 175.30 173.32 2p59 n PRO 157 N -0.95 -0.93 0.10 3.54 -0.02 -1.26 -1.69 135.00 133.79 2p59 n PRO 157 Ca -0.06 -0.25 -0.04 0.00 -2.02 0.00 0.00 63.50 61.13 2p59 n PRO 157 Cb 0.59 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.36 2p59 n PRO 157 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 2p59 h ILE 158 N -1.78 1.52 -0.03 4.25 -0.00 -1.40 -3.07 117.51 117.00 2p59 h ILE 158 Ca -0.48 -2.84 -0.01 0.00 -0.00 0.00 0.00 64.86 61.52 2p59 h ILE 158 Cb 1.33 2.56 -0.00 0.00 -0.00 0.00 0.00 36.82 40.70 2p59 h ILE 158 CO 0.35 0.80 -0.04 0.77 -0.00 0.00 0.00 178.15 180.03 2p59 h SER 159 N 0.00 0.03 -0.76 2.19 4.64 -1.89 -2.25 113.55 115.52 2p59 h SER 159 Ca -0.01 -0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.27 2p59 h SER 159 Cb 1.49 -0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 63.54 2p59 h SER 159 CO 0.11 0.08 0.33 0.22 -0.87 0.00 0.00 176.83 176.70 2p59 h TYR 160 N 0.04 1.14 -0.00 4.77 3.20 -1.88 -2.43 116.97 121.81 2p59 h TYR 160 Ca 0.01 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.81 2p59 h TYR 160 Cb 0.10 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.02 2p59 h TYR 160 CO 0.00 0.85 -0.19 1.28 -1.64 0.00 0.00 178.16 178.46 2p59 n LEU 161 N -4.30 0.63 -4.75 2.82 4.32 -0.87 -4.90 117.00 109.95 2p59 n LEU 161 Ca 0.07 -0.06 -0.41 0.00 -0.02 0.00 0.00 56.01 55.59 2p59 n LEU 161 Cb 0.17 -0.19 -0.02 0.00 -1.62 0.00 0.00 43.42 41.76 2p59 n LEU 161 CO 0.40 0.12 1.15 -0.54 -1.22 0.00 0.00 177.39 177.30 2p59 s LYS 162 N -2.56 4.20 0.00 3.23 1.02 -0.92 -2.58 119.74 122.13 2p59 s LYS 162 Ca 0.25 2.44 0.00 0.00 0.02 0.00 0.00 55.97 58.67 2p59 s LYS 162 Cb 0.19 -3.05 0.00 0.00 -0.52 0.00 0.00 37.83 34.45 2p59 s LYS 162 CO 0.51 -0.49 0.00 0.41 -0.92 0.00 0.00 175.35 174.86 2p59 n GLY 163 N 1.77 0.48 0.93 -3.33 0.00 -1.26 -4.80 105.19 98.98 2p59 n GLY 163 Ca 0.06 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.11 2p59 n GLY 163 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2p59 n SER 164 N -0.12 3.23 -4.86 1.61 7.64 -1.07 -3.94 113.62 116.11 2p59 n SER 164 Ca 0.00 -3.31 -0.34 0.00 1.01 0.00 0.00 58.87 56.23 2p59 n SER 164 Cb 0.06 -0.57 -0.06 0.00 -1.01 0.00 0.00 64.21 62.64 2p59 n SER 164 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2p59 s SER 165 N -2.24 6.72 0.00 6.43 1.04 -1.26 -3.21 113.70 121.18 2p59 s SER 165 Ca 0.42 0.96 0.00 0.00 0.48 0.00 0.00 55.95 57.81 2p59 s SER 165 Cb 0.36 -2.24 0.00 0.00 0.10 0.00 0.00 66.02 64.24 2p59 s SER 165 CO 0.05 0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.95 2p59 n GLY 166 N 0.55 1.77 3.71 7.32 0.00 0.11 -1.34 105.19 117.31 2p59 n GLY 166 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 2p59 n GLY 166 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2p59 s GLY 167 N -2.14 1.59 0.20 -0.02 0.00 -1.20 -2.85 107.32 102.90 2p59 s GLY 167 Ca 0.00 -0.28 -0.16 0.00 0.00 0.00 0.00 44.72 44.28 2p59 s GLY 167 CO 0.00 0.28 0.64 2.56 0.00 0.00 0.00 173.10 176.58 2p59 s PRO 168 N -5.01 4.07 -0.26 2.90 0.04 -1.26 0.14 135.00 135.63 2p59 s PRO 168 Ca 0.64 0.64 -0.09 0.00 0.04 0.00 0.00 61.00 62.23 2p59 s PRO 168 Cb -0.18 -2.83 -0.04 0.00 0.04 0.00 0.00 34.50 31.50 2p59 s PRO 168 CO 0.57 0.39 0.12 -0.51 0.04 0.00 0.00 177.00 177.61 2p59 s LEU 169 N -2.16 3.71 0.05 -3.56 1.43 0.80 -2.80 118.68 116.16 2p59 s LEU 169 Ca 0.43 -0.10 0.01 0.00 -1.03 0.00 0.00 54.13 53.44 2p59 s LEU 169 Cb -0.15 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 2p59 s LEU 169 CO 0.20 -0.02 0.12 -0.76 0.23 0.00 0.00 176.35 176.11 2p59 s LEU 170 N 1.57 4.01 0.86 1.79 1.43 -0.27 0.71 118.68 128.78 2p59 s LEU 170 Ca 0.06 0.12 -0.10 0.00 -1.03 0.00 0.00 54.13 53.19 2p59 s LEU 170 Cb -0.15 -2.57 0.17 0.00 0.03 0.00 0.00 46.19 43.66 2p59 s LEU 170 CO 0.06 0.20 1.18 0.00 0.23 0.00 0.00 176.35 178.03 2p59 h PRO 172 N -1.16 0.00 -0.00 0.00 0.11 -1.91 0.83 132.00 129.87 2p59 h PRO 172 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2p59 h PRO 172 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2p59 h PRO 172 CO 0.40 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.19 2p59 n ALA 173 N -2.51 2.68 -0.17 -0.75 0.00 -1.26 -4.88 120.51 113.62 2p59 n ALA 173 Ca 0.09 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2p59 n ALA 173 Cb 0.63 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.60 2p59 n ALA 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2p59 n GLY 174 N 1.01 1.49 3.83 0.00 0.00 0.29 -5.04 105.19 106.77 2p59 n GLY 174 Ca 0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 2p59 n GLY 174 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2p59 s HIS 175 N -2.76 3.33 0.03 1.61 3.76 -1.26 -4.71 115.29 115.30 2p59 s HIS 175 Ca 0.00 1.45 -0.30 0.00 -0.15 0.00 0.00 55.06 56.06 2p59 s HIS 175 Cb 0.00 -2.85 -0.05 0.00 1.11 0.00 0.00 32.58 30.80 2p59 s HIS 175 CO 0.00 -0.67 1.12 0.00 -0.85 0.00 0.00 174.74 174.34 2p59 s ALA 176 N -2.69 3.32 -0.17 -1.40 0.00 0.36 -0.81 121.76 120.37 2p59 s ALA 176 Ca 0.60 0.73 0.09 0.00 0.00 0.00 0.00 51.96 53.37 2p59 s ALA 176 Cb -0.12 -3.41 -0.16 0.00 0.00 0.00 0.00 23.12 19.42 2p59 s ALA 176 CO 0.38 -0.38 -0.04 0.28 0.00 0.00 0.00 175.76 176.00 2p59 n VAL 177 N 3.95 1.07 -3.92 0.00 0.31 0.22 0.08 118.33 120.04 2p59 n VAL 177 Ca 0.08 -0.56 0.01 0.00 -0.01 0.00 0.00 64.34 63.86 2p59 n VAL 177 Cb 0.48 -0.83 0.01 0.00 -0.91 0.00 0.00 33.84 32.59 2p59 n VAL 177 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2p59 s GLY 178 N -5.27 -0.10 -0.18 2.92 0.00 -1.15 -0.54 107.32 103.01 2p59 s GLY 178 Ca -0.15 0.02 -0.07 0.00 0.00 0.00 0.00 44.72 44.53 2p59 s GLY 178 CO 0.56 4.28 0.05 1.08 0.00 0.00 0.00 173.10 179.06 2p59 s LEU 179 N -3.62 3.75 -0.02 0.66 1.02 -0.82 -0.14 118.68 119.51 2p59 s LEU 179 Ca 0.26 0.06 -0.34 0.00 0.02 0.00 0.00 54.13 54.14 2p59 s LEU 179 Cb -0.00 -1.94 -0.12 0.00 0.02 0.00 0.00 46.19 44.15 2p59 s LEU 179 CO 0.00 0.18 1.83 0.33 0.02 0.00 0.00 176.35 178.71 2p59 n PHE 180 N 3.48 2.36 -0.08 0.29 7.35 0.12 -1.34 117.46 129.64 2p59 n PHE 180 Ca -0.17 -0.00 -0.18 0.00 -0.76 0.00 0.00 57.45 56.34 2p59 n PHE 180 Cb 0.52 -2.66 -0.06 0.00 0.35 0.00 0.00 39.48 37.63 2p59 n PHE 180 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 2p59 n ARG 181 N 6.04 0.36 -3.54 -4.13 0.63 0.13 0.08 116.66 116.23 2p59 n ARG 181 Ca 0.21 0.16 -0.17 0.00 -0.92 0.00 0.00 57.85 57.12 2p59 n ARG 181 Cb 0.31 -1.10 -0.06 0.00 0.45 0.00 0.00 32.46 32.06 2p59 n ARG 181 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2p59 s ALA 182 N -2.31 -1.78 0.02 5.13 0.00 -1.14 -4.84 121.76 116.85 2p59 s ALA 182 Ca -0.24 1.45 -0.19 0.00 0.00 0.00 0.00 51.96 52.99 2p59 s ALA 182 Cb 0.09 -0.23 -0.06 0.00 0.00 0.00 0.00 23.12 22.92 2p59 s ALA 182 CO 0.30 -0.36 0.54 0.00 0.00 0.00 0.00 175.76 176.23 2p59 s ALA 183 N -0.91 3.57 -0.42 0.00 0.00 -1.26 0.60 121.76 123.34 2p59 s ALA 183 Ca -0.09 -0.04 -0.16 0.00 0.00 0.00 0.00 51.96 51.68 2p59 s ALA 183 Cb -0.01 -2.62 0.02 0.00 0.00 0.00 0.00 23.12 20.52 2p59 s ALA 183 CO 0.08 0.31 0.37 0.08 0.00 0.00 0.00 175.76 176.60 2p59 s VAL 184 N -0.69 5.18 -0.02 0.00 1.01 0.70 -4.92 120.40 121.66 2p59 s VAL 184 Ca 0.28 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.72 2p59 s VAL 184 Cb -0.18 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 2p59 s VAL 184 CO 0.17 -0.38 -0.00 0.00 0.00 0.00 0.00 175.10 174.88 2p59 s THR 186 N -1.02 3.31 -1.08 0.00 2.01 -1.08 -4.80 115.64 112.98 2p59 s THR 186 Ca 0.18 -1.73 -0.03 0.00 0.31 0.00 0.00 61.69 60.41 2p59 s THR 186 Cb -0.11 -3.11 0.00 0.00 0.01 0.00 0.00 72.50 69.29 2p59 s THR 186 CO 0.08 -0.46 0.92 0.54 -0.69 0.00 0.00 174.62 175.01 2p59 n ARG 187 N 4.64 -6.16 -0.76 4.92 1.74 -1.26 -2.62 116.66 117.16 2p59 n ARG 187 Ca -0.07 0.72 0.00 0.00 -0.77 0.00 0.00 57.85 57.73 2p59 n ARG 187 Cb 0.42 -5.38 0.00 0.00 -1.02 0.00 0.00 32.46 26.49 2p59 n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2p59 n GLY 188 N -1.41 0.95 3.19 -0.13 0.00 -1.26 -5.01 105.19 101.52 2p59 n GLY 188 Ca -0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 2p59 n GLY 188 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2p59 s VAL 189 N -3.55 3.54 0.09 1.61 1.01 -1.08 -0.96 120.40 121.08 2p59 s VAL 189 Ca 0.00 -1.63 -0.31 0.00 0.00 0.00 0.00 61.98 60.05 2p59 s VAL 189 Cb 0.00 -3.22 -0.10 0.00 0.00 0.00 0.00 36.38 33.06 2p59 s VAL 189 CO 0.00 -0.46 1.87 0.00 0.00 0.00 0.00 175.10 176.51 2p59 s ALA 190 N 1.27 3.70 -0.02 5.51 0.00 -0.68 -2.63 121.76 128.91 2p59 s ALA 190 Ca 0.03 1.39 0.01 0.00 0.00 0.00 0.00 51.96 53.40 2p59 s ALA 190 Cb -0.22 -3.79 -0.02 0.00 0.00 0.00 0.00 23.12 19.09 2p59 s ALA 190 CO -0.01 -1.35 0.04 1.63 0.00 0.00 0.00 175.76 176.07 2p59 n LYS 191 N 6.34 2.00 -3.88 0.00 5.02 -0.92 -2.57 118.16 124.15 2p59 n LYS 191 Ca 0.18 -0.01 -0.08 0.00 -2.02 0.00 0.00 58.31 56.39 2p59 n LYS 191 Cb 0.39 -0.89 -0.02 0.00 -0.02 0.00 0.00 35.03 34.49 2p59 n LYS 191 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2p59 s ALA 192 N -1.80 -0.99 0.02 7.82 0.00 -1.20 -0.78 121.76 124.83 2p59 s ALA 192 Ca -0.00 -0.46 0.01 0.00 0.00 0.00 0.00 51.96 51.50 2p59 s ALA 192 Cb 0.01 0.87 -0.01 0.00 0.00 0.00 0.00 23.12 23.99 2p59 s ALA 192 CO 0.06 -1.00 -0.04 0.14 0.00 0.00 0.00 175.76 174.92 2p59 s VAL 193 N -3.76 0.22 0.28 0.00 -7.23 0.13 -0.21 120.40 109.82 2p59 s VAL 193 Ca 0.14 -0.66 -0.11 0.00 -1.81 0.00 0.00 61.98 59.54 2p59 s VAL 193 Cb -0.05 -0.29 -0.08 0.00 0.56 0.00 0.00 36.38 36.52 2p59 s VAL 193 CO 0.08 -0.28 0.63 -1.81 -0.31 0.00 0.00 175.10 173.40 2p59 s ASP 194 N -0.99 6.66 -0.06 4.85 -0.00 0.20 -1.79 116.67 125.54 2p59 s ASP 194 Ca -0.09 1.05 -0.21 0.00 -0.00 0.00 0.00 52.55 53.30 2p59 s ASP 194 Cb -0.07 -2.28 0.04 0.00 -0.00 0.00 0.00 42.92 40.62 2p59 s ASP 194 CO -0.00 -0.15 0.47 0.72 -0.00 0.00 0.00 175.17 176.21 2p59 s PHE 195 N -1.92 -0.41 -0.68 4.23 -0.12 -0.75 -0.69 117.98 117.62 2p59 s PHE 195 Ca 0.50 0.78 -0.27 0.00 -0.05 0.00 0.00 56.93 57.88 2p59 s PHE 195 Cb -0.11 0.22 0.03 0.00 -0.63 0.00 0.00 43.02 42.53 2p59 s PHE 195 CO 0.21 -0.44 1.23 0.42 -0.05 0.00 0.00 175.22 176.59 2p59 s ILE 196 N -0.95 3.85 0.45 -4.49 1.01 -0.45 -4.54 121.20 116.08 2p59 s ILE 196 Ca -0.10 0.52 -0.24 0.00 0.00 0.00 0.00 60.65 60.83 2p59 s ILE 196 Cb -0.03 -4.84 -0.09 0.00 0.01 0.00 0.00 42.46 37.50 2p59 s ILE 196 CO 0.05 -1.67 1.17 -0.81 0.00 0.00 0.00 174.94 173.69 2p59 n PRO 197 N 8.98 1.64 0.24 2.79 -0.04 -1.26 -1.95 135.00 145.40 2p59 n PRO 197 Ca 0.04 0.59 0.08 0.00 -0.04 0.00 0.00 63.50 64.17 2p59 n PRO 197 Cb 0.49 -2.27 0.63 0.00 -0.04 0.00 0.00 33.50 32.31 2p59 n PRO 197 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 2p59 h VAL 198 N 1.73 1.00 -1.04 0.52 3.04 -1.14 0.87 116.25 121.23 2p59 h VAL 198 Ca -0.47 -0.01 0.28 0.00 -1.01 0.00 0.00 66.70 65.49 2p59 h VAL 198 Cb 1.31 0.97 -0.07 0.00 -2.01 0.00 0.00 31.29 31.50 2p59 h VAL 198 CO 0.58 0.00 0.70 -0.33 -1.01 0.00 0.00 177.57 177.52 2p59 h GLU 199 N 0.02 0.23 -0.29 4.17 3.07 -1.88 0.15 114.58 120.05 2p59 h GLU 199 Ca 0.01 -0.01 -0.07 0.00 -0.50 0.00 0.00 59.36 58.78 2p59 h GLU 199 Cb 0.02 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 27.87 2p59 h GLU 199 CO -0.00 0.15 -0.11 -0.91 -1.40 0.00 0.00 179.01 176.74 2p59 h ASN 200 N 0.24 0.60 -0.44 1.42 -0.26 -1.15 -2.43 115.58 113.56 2p59 h ASN 200 Ca 0.55 -0.39 0.02 0.00 -0.56 0.00 0.00 56.30 55.92 2p59 h ASN 200 Cb 1.69 -0.17 -0.03 0.00 -1.06 0.00 0.00 38.32 38.75 2p59 h ASN 200 CO -0.17 0.86 0.26 -0.07 -1.06 0.00 0.00 177.43 177.25 2p59 h LEU 201 N 0.34 0.42 -1.31 1.61 4.07 -0.83 0.41 115.31 120.03 2p59 h LEU 201 Ca 0.07 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.99 2p59 h LEU 201 Cb 0.61 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 42.25 2p59 h LEU 201 CO 0.04 0.30 0.01 -0.33 -1.08 0.00 0.00 178.44 177.38 2p59 h GLU 202 N 0.53 0.47 0.13 1.13 5.08 -1.12 -2.32 114.58 118.48 2p59 h GLU 202 Ca 0.18 -0.09 -0.31 0.00 -1.00 0.00 0.00 59.36 58.14 2p59 h GLU 202 Cb 0.01 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 2p59 h GLU 202 CO -0.08 0.49 -1.51 1.79 -1.00 0.00 0.00 179.01 178.70 2p59 h THR 203 N 0.46 1.18 -0.66 1.13 1.35 -1.23 -3.24 112.91 111.89 2p59 h THR 203 Ca 0.10 -2.79 0.19 0.00 -0.55 0.00 0.00 66.41 63.36 2p59 h THR 203 Cb 0.28 2.80 -0.03 0.00 -1.73 0.00 0.00 68.15 69.47 2p59 h THR 203 CO 0.01 0.83 0.48 0.74 -0.25 0.00 0.00 175.52 177.32 2p59 h THR 204 N 0.08 0.68 0.00 6.82 2.02 -0.59 -3.51 112.91 118.40 2p59 h THR 204 Ca -0.24 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 66.93 2p59 h THR 204 Cb 2.03 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 69.09 2p59 h THR 204 CO 0.18 0.00 0.00 0.23 0.37 0.00 0.00 175.52 176.30