#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1za7 n GLY 41 N 0.00 4.95 3.57 2.61 0.00 -1.26 -4.97 105.19 110.09 1za7 n GLY 41 Ca 0.00 -2.28 -0.27 0.00 0.00 0.00 0.00 46.02 43.46 1za7 n GLY 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1za7 s ARG 42 N -0.77 2.08 0.10 1.61 0.52 -1.26 -5.13 118.95 116.09 1za7 s ARG 42 Ca 0.37 -1.20 -0.09 0.00 -0.52 0.00 0.00 55.73 54.29 1za7 s ARG 42 Cb 0.09 -2.20 -0.06 0.00 0.52 0.00 0.00 34.95 33.30 1za7 s ARG 42 CO 0.03 0.45 0.40 0.00 0.02 0.00 0.00 175.30 176.21 1za7 s ALA 43 N -1.57 3.73 -0.17 2.13 0.00 -1.26 -5.04 121.76 119.58 1za7 s ALA 43 Ca 0.24 -0.41 -0.29 0.00 0.00 0.00 0.00 51.96 51.50 1za7 s ALA 43 Cb -0.09 -2.25 -0.01 0.00 0.00 0.00 0.00 23.12 20.76 1za7 s ALA 43 CO 0.15 0.58 1.26 0.42 0.00 0.00 0.00 175.76 178.17 1za7 s ILE 44 N -1.47 4.29 0.23 0.00 1.01 -1.26 -4.99 121.20 119.01 1za7 s ILE 44 Ca 0.35 1.56 -0.30 0.00 0.00 0.00 0.00 60.65 62.26 1za7 s ILE 44 Cb -0.13 -4.01 -0.09 0.00 0.01 0.00 0.00 42.46 38.24 1za7 s ILE 44 CO 0.19 -0.14 1.02 -0.75 0.00 0.00 0.00 174.94 175.26 1za7 s LYS 45 N 3.50 4.73 0.63 2.79 2.20 -1.26 -5.02 119.74 127.31 1za7 s LYS 45 Ca 0.54 1.63 -0.17 0.00 -0.36 0.00 0.00 55.97 57.61 1za7 s LYS 45 Cb -0.21 -3.26 -0.02 0.00 -1.51 0.00 0.00 37.83 32.83 1za7 s LYS 45 CO 0.14 0.33 1.16 0.00 -0.36 0.00 0.00 175.35 176.62 1za7 s ALA 46 N -0.94 2.47 0.66 3.13 0.00 -1.26 -4.98 121.76 120.84 1za7 s ALA 46 Ca 0.44 0.79 -0.16 0.00 0.00 0.00 0.00 51.96 53.03 1za7 s ALA 46 Cb -0.28 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1za7 s ALA 46 CO 0.35 -1.24 1.17 -1.58 0.00 0.00 0.00 175.76 174.47 1za7 s TRP 47 N -1.95 2.34 0.32 0.00 0.51 -1.26 -4.89 118.94 114.00 1za7 s TRP 47 Ca 0.72 1.56 -0.29 0.00 -2.12 0.00 0.00 56.10 55.97 1za7 s TRP 47 Cb -0.25 -3.38 -0.11 0.00 -0.81 0.00 0.00 33.47 28.92 1za7 s TRP 47 CO 0.37 -2.18 1.49 0.95 -0.51 0.00 0.00 176.95 177.07 1za7 s THR 48 N -1.97 2.25 0.00 2.01 -4.23 -1.26 -1.10 115.64 111.35 1za7 s THR 48 Ca 0.73 0.23 0.00 0.00 -1.18 0.00 0.00 61.69 61.47 1za7 s THR 48 Cb -0.27 -3.15 0.00 0.00 1.34 0.00 0.00 72.50 70.42 1za7 s THR 48 CO 0.40 0.05 0.00 0.61 -0.54 0.00 0.00 174.62 175.13 1za7 n GLY 49 N 1.38 1.08 3.63 3.99 0.00 -1.26 -5.03 105.19 108.97 1za7 n GLY 49 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 1za7 n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1za7 s TYR 50 N -2.36 2.61 0.13 1.61 2.02 -0.26 -0.02 117.35 121.08 1za7 s TYR 50 Ca 0.00 -0.30 -0.08 0.00 -0.37 0.00 0.00 57.07 56.32 1za7 s TYR 50 Cb 0.00 -1.27 -0.01 0.00 -0.40 0.00 0.00 41.96 40.28 1za7 s TYR 50 CO 0.00 0.58 0.22 -1.54 -1.57 0.00 0.00 175.55 173.24 1za7 s SER 51 N -3.68 0.10 -0.21 2.29 1.04 0.21 -4.66 113.70 108.80 1za7 s SER 51 Ca 0.33 -0.79 -0.05 0.00 0.48 0.00 0.00 55.95 55.91 1za7 s SER 51 Cb -0.04 0.38 -0.02 0.00 0.10 0.00 0.00 66.02 66.44 1za7 s SER 51 CO 0.19 -0.80 -0.01 -0.69 0.98 0.00 0.00 173.24 172.91 1za7 s VAL 52 N -3.92 3.75 -0.17 5.02 1.01 -1.26 -1.36 120.40 123.47 1za7 s VAL 52 Ca 0.12 -0.37 -0.12 0.00 0.00 0.00 0.00 61.98 61.61 1za7 s VAL 52 Cb 0.04 -2.71 -0.05 0.00 0.00 0.00 0.00 36.38 33.67 1za7 s VAL 52 CO -0.05 0.41 0.22 -0.44 0.00 0.00 0.00 175.10 175.24 1za7 s SER 53 N 1.27 6.35 -0.13 3.32 0.01 -0.11 -4.92 113.70 119.49 1za7 s SER 53 Ca 0.04 0.40 0.02 0.00 1.31 0.00 0.00 55.95 57.72 1za7 s SER 53 Cb -0.15 -2.14 0.01 0.00 0.21 0.00 0.00 66.02 63.96 1za7 s SER 53 CO 0.00 0.17 -0.17 -0.54 0.41 0.00 0.00 173.24 173.11 1za7 s LYS 54 N 0.24 2.51 0.22 12.44 1.02 -1.26 -0.62 119.74 134.29 1za7 s LYS 54 Ca 0.13 -0.66 -0.02 0.00 0.02 0.00 0.00 55.97 55.44 1za7 s LYS 54 Cb -0.12 -2.12 -0.03 0.00 -0.52 0.00 0.00 37.83 35.03 1za7 s LYS 54 CO 0.02 -0.09 0.20 1.67 -0.92 0.00 0.00 175.35 176.24 1za7 s TRP 55 N 1.04 1.11 0.43 3.18 -2.14 -0.55 -5.01 118.94 116.99 1za7 s TRP 55 Ca -0.04 -1.31 0.03 0.00 2.66 0.00 0.00 56.10 57.44 1za7 s TRP 55 Cb -0.15 -0.46 -0.02 0.00 -3.10 0.00 0.00 33.47 29.75 1za7 s TRP 55 CO -0.04 -0.73 0.11 0.95 -2.66 0.00 0.00 176.95 174.58 1za7 s THR 56 N -4.03 0.69 -0.18 0.66 -4.23 -1.26 -1.16 115.64 106.13 1za7 s THR 56 Ca 0.37 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.74 1za7 s THR 56 Cb 0.05 -2.32 0.05 0.00 1.34 0.00 0.00 72.50 71.63 1za7 s THR 56 CO 0.13 0.00 0.46 0.00 -0.54 0.00 0.00 174.62 174.67 1za7 s ALA 57 N -3.15 -1.16 -0.19 3.99 0.00 -0.51 -4.98 121.76 115.77 1za7 s ALA 57 Ca 0.21 1.46 -0.17 0.00 0.00 0.00 0.00 51.96 53.46 1za7 s ALA 57 Cb 0.02 -0.86 -0.04 0.00 0.00 0.00 0.00 23.12 22.24 1za7 s ALA 57 CO 0.13 -0.25 0.43 0.45 0.00 0.00 0.00 175.76 176.52 1za7 s SER 58 N 0.74 6.50 0.76 0.00 0.15 -1.26 -0.34 113.70 120.25 1za7 s SER 58 Ca -0.04 0.59 -0.15 0.00 0.70 0.00 0.00 55.95 57.05 1za7 s SER 58 Cb -0.05 -2.25 0.05 0.00 -1.71 0.00 0.00 66.02 62.06 1za7 s SER 58 CO -0.05 -0.08 1.17 0.00 1.20 0.00 0.00 173.24 175.48 1za7 s ALA 60 N -1.90 3.68 0.59 0.00 0.00 -1.26 -1.53 121.76 121.34 1za7 s ALA 60 Ca 0.75 -0.80 -0.20 0.00 0.00 0.00 0.00 51.96 51.72 1za7 s ALA 60 Cb -0.32 -2.16 -0.03 0.00 0.00 0.00 0.00 23.12 20.61 1za7 s ALA 60 CO 0.48 0.09 1.28 0.00 0.00 0.00 0.00 175.76 177.62 1za7 s ALA 61 N -2.22 2.59 -0.05 0.00 0.00 -1.26 -4.54 121.76 116.27 1za7 s ALA 61 Ca 0.41 1.18 -0.29 0.00 0.00 0.00 0.00 51.96 53.26 1za7 s ALA 61 Cb -0.10 -3.52 0.07 0.00 0.00 0.00 0.00 23.12 19.56 1za7 s ALA 61 CO 0.34 -1.36 0.64 0.00 0.00 0.00 0.00 175.76 175.38 1za7 s ALA 62 N -1.42 -1.67 0.69 0.00 0.00 -0.50 -4.91 121.76 113.95 1za7 s ALA 62 Ca 0.77 1.24 -0.11 0.00 0.00 0.00 0.00 51.96 53.86 1za7 s ALA 62 Cb -0.36 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 22.74 1za7 s ALA 62 CO 0.40 -0.36 1.07 -1.21 0.00 0.00 0.00 175.76 175.67 1za7 s GLU 63 N -1.16 3.03 0.35 0.00 2.02 -1.26 0.18 118.70 121.86 1za7 s GLU 63 Ca -0.11 0.60 -0.27 0.00 0.02 0.00 0.00 54.97 55.22 1za7 s GLU 63 Cb -0.01 -2.03 -0.12 0.00 0.10 0.00 0.00 34.13 32.07 1za7 s GLU 63 CO 0.09 -0.94 1.13 0.00 0.02 0.00 0.00 175.26 175.56 1za7 n ALA 64 N -2.97 0.56 -0.92 5.21 0.00 -1.26 -2.24 120.51 118.89 1za7 n ALA 64 Ca 0.07 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1za7 n ALA 64 Cb 0.56 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.87 1za7 n ALA 64 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1za7 n LYS 65 N 0.46 -1.56 -3.12 0.00 5.02 0.57 -4.92 118.16 114.61 1za7 n LYS 65 Ca 0.07 0.39 -0.38 0.00 -2.02 0.00 0.00 58.31 56.37 1za7 n LYS 65 Cb 0.36 -4.80 -0.06 0.00 -0.02 0.00 0.00 35.03 30.50 1za7 n LYS 65 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1za7 s VAL 66 N -1.07 4.56 -0.31 -0.18 1.01 -0.95 -4.88 120.40 118.58 1za7 s VAL 66 Ca 0.00 1.40 -0.10 0.00 0.00 0.00 0.00 61.98 63.28 1za7 s VAL 66 Cb 0.00 -3.97 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 1za7 s VAL 66 CO 0.00 0.44 0.16 -0.89 0.00 0.00 0.00 175.10 174.81 1za7 s THR 67 N -1.24 4.71 0.05 3.92 2.01 -1.26 -3.91 115.64 119.91 1za7 s THR 67 Ca 0.35 -0.36 -0.02 0.00 0.31 0.00 0.00 61.69 61.97 1za7 s THR 67 Cb -0.20 -3.38 -0.04 0.00 0.01 0.00 0.00 72.50 68.88 1za7 s THR 67 CO 0.22 0.08 0.24 -0.44 -0.69 0.00 0.00 174.62 174.03 1za7 s SER 68 N 1.63 6.41 -0.18 3.53 0.01 0.11 -4.69 113.70 120.52 1za7 s SER 68 Ca 0.05 0.39 -0.09 0.00 1.31 0.00 0.00 55.95 57.60 1za7 s SER 68 Cb -0.17 -2.01 -0.05 0.00 0.21 0.00 0.00 66.02 64.00 1za7 s SER 68 CO 0.07 0.18 0.13 0.00 0.41 0.00 0.00 173.24 174.04 1za7 s ALA 69 N -1.46 3.74 -0.14 1.44 0.00 -1.26 -1.28 121.76 122.80 1za7 s ALA 69 Ca 0.33 -0.68 0.02 0.00 0.00 0.00 0.00 51.96 51.63 1za7 s ALA 69 Cb -0.13 -2.12 0.00 0.00 0.00 0.00 0.00 23.12 20.88 1za7 s ALA 69 CO 0.23 0.28 -0.20 0.42 0.00 0.00 0.00 175.76 176.49 1za7 s ILE 70 N 0.00 2.27 0.37 0.00 1.01 0.98 -5.00 121.20 120.83 1za7 s ILE 70 Ca 0.10 -0.92 -0.26 0.00 0.00 0.00 0.00 60.65 59.57 1za7 s ILE 70 Cb -0.11 -1.92 -0.09 0.00 0.01 0.00 0.00 42.46 40.35 1za7 s ILE 70 CO -0.00 0.54 1.15 -0.89 0.00 0.00 0.00 174.94 175.74 1za7 s THR 71 N 0.72 3.25 -0.35 2.92 2.01 -1.26 -1.63 115.64 121.30 1za7 s THR 71 Ca -0.09 1.10 -0.17 0.00 0.31 0.00 0.00 61.69 62.85 1za7 s THR 71 Cb -0.16 -3.64 -0.01 0.00 0.01 0.00 0.00 72.50 68.70 1za7 s THR 71 CO 0.01 0.15 0.44 -0.63 -0.69 0.00 0.00 174.62 173.90 1za7 s ILE 72 N -1.36 5.09 -0.12 1.82 1.01 -1.26 -4.89 121.20 121.49 1za7 s ILE 72 Ca 0.53 0.20 0.03 0.00 0.00 0.00 0.00 60.65 61.42 1za7 s ILE 72 Cb -0.31 -3.90 0.00 0.00 0.01 0.00 0.00 42.46 38.27 1za7 s ILE 72 CO 0.39 -0.16 -0.23 -0.44 0.00 0.00 0.00 174.94 174.50 1za7 s SER 73 N 1.75 3.10 0.31 3.58 0.01 -1.26 -4.62 113.70 116.56 1za7 s SER 73 Ca 0.15 -0.58 -0.29 0.00 1.31 0.00 0.00 55.95 56.55 1za7 s SER 73 Cb -0.16 -1.42 -0.10 0.00 0.21 0.00 0.00 66.02 64.55 1za7 s SER 73 CO 0.12 0.13 1.27 -0.76 0.41 0.00 0.00 173.24 174.41 1za7 s LEU 74 N 0.53 4.45 0.78 2.44 1.43 -1.26 -5.00 118.68 122.05 1za7 s LEU 74 Ca -0.14 2.58 -0.12 0.00 -1.03 0.00 0.00 54.13 55.42 1za7 s LEU 74 Cb -0.17 -3.64 0.06 0.00 0.03 0.00 0.00 46.19 42.47 1za7 s LEU 74 CO 0.05 -0.46 1.12 -2.16 0.23 0.00 0.00 176.35 175.12 1za7 s PRO 75 N -1.52 2.07 0.23 1.29 0.04 -1.26 -4.77 135.00 131.07 1za7 s PRO 75 Ca 0.49 1.34 -0.08 0.00 0.04 0.00 0.00 61.00 62.80 1za7 s PRO 75 Cb -0.38 -1.86 0.37 0.00 0.04 0.00 0.00 34.50 32.67 1za7 s PRO 75 CO 0.49 -1.81 1.70 -0.91 0.04 0.00 0.00 177.00 176.50 1za7 h ASN 76 N -1.02 0.00 -0.06 6.66 2.35 -1.99 -0.30 115.58 121.22 1za7 h ASN 76 Ca -0.44 0.13 0.02 0.00 -0.55 0.00 0.00 56.30 55.45 1za7 h ASN 76 Cb 1.25 0.18 -0.00 0.00 0.05 0.00 0.00 38.32 39.79 1za7 h ASN 76 CO 0.49 -0.01 0.49 1.05 -1.65 0.00 0.00 177.43 177.81 1za7 h GLU 77 N 0.27 0.00 -0.03 0.81 4.11 -2.03 -0.05 114.58 117.66 1za7 h GLU 77 Ca 0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.79 1za7 h GLU 77 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1za7 h GLU 77 CO -0.46 0.00 0.00 1.28 0.07 0.00 0.00 179.01 179.90 1za7 n LEU 78 N -2.88 2.17 0.08 3.06 4.77 -0.14 -4.75 117.00 119.30 1za7 n LEU 78 Ca -0.00 -2.27 0.12 0.00 -0.03 0.00 0.00 56.01 53.83 1za7 n LEU 78 Cb 0.55 -0.12 0.29 0.00 -2.33 0.00 0.00 43.42 41.80 1za7 n LEU 78 CO 0.12 0.56 0.60 -1.20 -1.33 0.00 0.00 177.39 176.15 1za7 n SER 79 N -0.65 0.74 -4.73 -1.43 7.64 -0.03 -3.55 113.62 111.59 1za7 n SER 79 Ca 0.05 0.32 -0.37 0.00 1.01 0.00 0.00 58.87 59.88 1za7 n SER 79 Cb 0.36 -0.28 0.07 0.00 -1.01 0.00 0.00 64.21 63.35 1za7 n SER 79 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1za7 s SER 80 N -4.31 4.60 0.44 6.43 1.04 -1.26 -4.75 113.70 115.88 1za7 s SER 80 Ca 0.08 2.59 0.15 0.00 0.48 0.00 0.00 55.95 59.25 1za7 s SER 80 Cb 0.13 -2.62 1.06 0.00 0.10 0.00 0.00 66.02 64.70 1za7 s SER 80 CO 0.66 -2.00 1.96 -0.08 0.98 0.00 0.00 173.24 174.76 1za7 h GLU 81 N 0.50 0.37 -0.12 4.02 4.57 -1.99 -1.08 114.58 120.84 1za7 h GLU 81 Ca -0.51 -0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 57.60 1za7 h GLU 81 Cb 1.33 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.84 1za7 h GLU 81 CO 0.53 0.24 -0.14 0.00 -1.18 0.00 0.00 179.01 178.46 1za7 h ARG 82 N 0.38 0.31 0.00 1.92 2.47 -1.95 -3.22 114.38 114.30 1za7 h ARG 82 Ca 0.30 -0.17 -0.07 0.00 -1.26 0.00 0.00 59.98 58.77 1za7 h ARG 82 Cb 0.66 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.98 1za7 h ARG 82 CO -0.08 0.73 -0.34 -0.91 0.56 0.00 0.00 179.97 179.92 1za7 h ASN 83 N -0.08 0.00 0.23 7.04 2.35 -1.66 -2.45 115.58 121.00 1za7 h ASN 83 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1za7 h ASN 83 Cb 0.68 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.05 1za7 h ASN 83 CO 0.03 0.34 0.00 0.29 -1.65 0.00 0.00 177.43 176.45 1za7 n LYS 84 N -3.84 0.10 0.00 0.81 5.02 -0.47 -1.87 118.16 117.92 1za7 n LYS 84 Ca -0.01 0.51 0.12 0.00 -2.02 0.00 0.00 58.31 56.90 1za7 n LYS 84 Cb 0.42 -1.78 0.15 0.00 -0.02 0.00 0.00 35.03 33.80 1za7 n LYS 84 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1za7 n GLN 85 N -1.98 0.42 -1.74 1.97 1.13 -0.92 -0.62 117.38 115.63 1za7 n GLN 85 Ca 0.00 -0.30 -0.42 0.00 -1.94 0.00 0.00 57.00 54.35 1za7 n GLN 85 Cb 0.09 -1.49 -0.02 0.00 0.11 0.00 0.00 30.24 28.93 1za7 n GLN 85 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1za7 n LEU 86 N -1.03 4.33 -4.76 1.08 4.77 -0.78 -4.66 117.00 115.95 1za7 n LEU 86 Ca 0.07 1.13 -0.40 0.00 -0.03 0.00 0.00 56.01 56.78 1za7 n LEU 86 Cb 0.36 -1.59 -0.04 0.00 -2.33 0.00 0.00 43.42 39.82 1za7 n LEU 86 CO 0.34 0.18 0.84 -0.54 -1.33 0.00 0.00 177.39 176.87 1za7 s LYS 87 N -0.19 4.56 0.32 3.23 -0.14 -1.26 -1.49 119.74 124.76 1za7 s LYS 87 Ca 0.66 1.90 -0.14 0.00 -1.36 0.00 0.00 55.97 57.03 1za7 s LYS 87 Cb -0.49 -3.15 -0.09 0.00 -1.68 0.00 0.00 37.83 32.42 1za7 s LYS 87 CO 0.45 0.11 0.72 0.08 -0.76 0.00 0.00 175.35 175.95 1za7 s VAL 88 N -1.17 4.71 0.00 3.17 1.01 0.93 -1.84 120.40 127.21 1za7 s VAL 88 Ca 0.46 0.88 0.00 0.00 0.00 0.00 0.00 61.98 63.32 1za7 s VAL 88 Cb -0.34 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.43 1za7 s VAL 88 CO 0.44 -0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.95 1za7 n GLY 89 N -0.40 1.00 3.92 4.51 0.00 0.15 -0.72 105.19 113.65 1za7 n GLY 89 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1za7 n GLY 89 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1za7 s ARG 90 N 1.77 3.55 0.01 1.61 0.52 -1.26 -3.55 118.95 121.60 1za7 s ARG 90 Ca 0.00 -0.26 0.06 0.00 -0.52 0.00 0.00 55.73 55.01 1za7 s ARG 90 Cb 0.00 -2.83 -0.02 0.00 0.52 0.00 0.00 34.95 32.62 1za7 s ARG 90 CO 0.00 0.41 -0.17 0.08 0.02 0.00 0.00 175.30 175.64 1za7 s VAL 91 N -1.82 1.37 -0.04 3.52 1.01 -0.84 -1.20 120.40 122.40 1za7 s VAL 91 Ca 0.39 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.53 1za7 s VAL 91 Cb -0.11 -1.17 0.00 0.00 0.00 0.00 0.00 36.38 35.11 1za7 s VAL 91 CO 0.28 0.28 -0.11 -0.22 0.00 0.00 0.00 175.10 175.33 1za7 s LEU 92 N -0.68 1.75 -0.06 3.92 0.20 0.11 0.23 118.68 124.14 1za7 s LEU 92 Ca 0.06 -0.23 0.03 0.00 0.69 0.00 0.00 54.13 54.67 1za7 s LEU 92 Cb -0.07 -0.67 0.01 0.00 -0.43 0.00 0.00 46.19 45.03 1za7 s LEU 92 CO 0.00 0.07 -0.14 -0.22 -0.29 0.00 0.00 176.35 175.77 1za7 s LEU 93 N 0.29 1.74 0.10 -0.68 2.96 -0.12 -0.54 118.68 122.44 1za7 s LEU 93 Ca -0.06 -0.33 -0.07 0.00 -0.22 0.00 0.00 54.13 53.45 1za7 s LEU 93 Cb -0.11 -0.89 -0.01 0.00 0.50 0.00 0.00 46.19 45.68 1za7 s LEU 93 CO 0.01 0.07 0.17 -1.66 -1.32 0.00 0.00 176.35 173.62 1za7 s TRP 94 N 0.50 0.30 -0.01 5.38 1.48 -0.59 -0.27 118.94 125.72 1za7 s TRP 94 Ca -0.13 -0.73 0.04 0.00 -1.06 0.00 0.00 56.10 54.23 1za7 s TRP 94 Cb -0.15 -0.13 -0.03 0.00 -1.16 0.00 0.00 33.47 32.00 1za7 s TRP 94 CO 0.04 -0.56 -0.11 -0.51 -4.06 0.00 0.00 176.95 171.75 1za7 s LEU 95 N -2.90 2.92 -0.29 -4.66 1.43 -1.25 -0.57 118.68 113.36 1za7 s LEU 95 Ca 0.09 -0.20 0.02 0.00 -1.03 0.00 0.00 54.13 53.00 1za7 s LEU 95 Cb 0.05 -1.66 0.07 0.00 0.03 0.00 0.00 46.19 44.68 1za7 s LEU 95 CO -0.08 0.31 -0.03 -0.83 0.23 0.00 0.00 176.35 175.95 1za7 s GLY 96 N -1.13 1.76 0.22 -3.19 0.00 0.16 -4.98 107.32 100.16 1za7 s GLY 96 Ca 0.14 -1.96 0.07 0.00 0.00 0.00 0.00 44.72 42.98 1za7 s GLY 96 CO 0.04 0.72 0.09 1.08 0.00 0.00 0.00 173.10 175.03 1za7 s LEU 97 N 1.11 3.53 0.45 0.66 1.43 -1.26 -0.48 118.68 124.12 1za7 s LEU 97 Ca -0.03 -0.36 -0.24 0.00 -1.03 0.00 0.00 54.13 52.46 1za7 s LEU 97 Cb -0.20 -2.11 -0.07 0.00 0.03 0.00 0.00 46.19 43.84 1za7 s LEU 97 CO -0.04 0.02 1.27 -0.76 0.23 0.00 0.00 176.35 177.07 1za7 s LEU 98 N -3.44 4.07 0.47 1.79 1.43 -1.05 -4.88 118.68 117.06 1za7 s LEU 98 Ca 0.31 2.57 0.18 0.00 -1.03 0.00 0.00 54.13 56.16 1za7 s LEU 98 Cb -0.08 -4.09 1.17 0.00 0.03 0.00 0.00 46.19 43.22 1za7 s LEU 98 CO 0.22 -1.03 1.99 1.55 0.23 0.00 0.00 176.35 179.31 1za7 h PRO 99 N 2.21 0.24 0.00 1.29 0.13 -1.98 -1.75 132.00 132.15 1za7 h PRO 99 Ca -0.50 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1za7 h PRO 99 Cb 1.26 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1za7 h PRO 99 CO 0.61 0.16 -0.05 -1.13 -0.23 0.00 0.00 178.00 177.35 1za7 n SER 100 N -4.45 0.49 -4.67 1.44 3.41 -1.26 -4.83 113.62 103.76 1za7 n SER 100 Ca 0.09 0.49 -0.42 0.00 -0.26 0.00 0.00 58.87 58.78 1za7 n SER 100 Cb 0.44 -0.59 -0.03 0.00 -0.26 0.00 0.00 64.21 63.77 1za7 n SER 100 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1za7 s VAL 101 N -3.06 3.19 0.43 -3.33 1.01 -0.66 -4.98 120.40 113.01 1za7 s VAL 101 Ca 0.12 0.33 0.07 0.00 0.00 0.00 0.00 61.98 62.50 1za7 s VAL 101 Cb 0.15 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 1za7 s VAL 101 CO 0.58 -0.02 0.20 -0.94 0.00 0.00 0.00 175.10 174.91 1za7 s SER 102 N 3.65 4.44 0.00 3.32 1.04 -1.26 -4.95 113.70 119.93 1za7 s SER 102 Ca 0.81 -1.13 0.00 0.00 0.48 0.00 0.00 55.95 56.10 1za7 s SER 102 Cb -0.39 -0.31 0.00 0.00 0.10 0.00 0.00 66.02 65.42 1za7 s SER 102 CO 0.36 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.55 1za7 n GLY 103 N -1.30 0.31 3.70 7.32 0.00 -1.26 -4.69 105.19 109.26 1za7 n GLY 103 Ca -0.02 -1.89 -0.39 0.00 0.00 0.00 0.00 46.02 43.72 1za7 n GLY 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1za7 s THR 104 N -1.75 5.12 -0.12 2.61 2.01 -1.26 -4.89 115.64 117.36 1za7 s THR 104 Ca 0.00 1.09 0.03 0.00 0.31 0.00 0.00 61.69 63.12 1za7 s THR 104 Cb 0.00 -3.89 0.01 0.00 0.01 0.00 0.00 72.50 68.63 1za7 s THR 104 CO 0.00 0.25 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.28 1za7 s VAL 105 N 1.05 1.90 0.08 3.82 1.01 -1.26 -0.54 120.40 126.46 1za7 s VAL 105 Ca 0.28 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.41 1za7 s VAL 105 Cb -0.16 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 1za7 s VAL 105 CO 0.12 0.52 -0.13 -0.54 0.00 0.00 0.00 175.10 175.06 1za7 s LYS 106 N 0.67 0.83 0.05 2.72 1.02 0.12 -1.72 119.74 123.43 1za7 s LYS 106 Ca -0.12 -0.99 -0.18 0.00 0.02 0.00 0.00 55.97 54.70 1za7 s LYS 106 Cb -0.16 -0.78 0.04 0.00 -0.52 0.00 0.00 37.83 36.40 1za7 s LYS 106 CO 0.02 0.17 0.42 0.45 -0.92 0.00 0.00 175.35 175.49 1za7 s SER 107 N -1.87 -0.30 0.27 2.83 0.15 -0.10 -0.39 113.70 114.29 1za7 s SER 107 Ca -0.01 -0.00 -0.20 0.00 0.70 0.00 0.00 55.95 56.44 1za7 s SER 107 Cb -0.09 0.43 0.02 0.00 -1.71 0.00 0.00 66.02 64.68 1za7 s SER 107 CO 0.02 -0.68 0.70 0.00 1.20 0.00 0.00 173.24 174.48 1za7 s VAL 109 N -3.92 1.70 0.28 0.00 1.01 -1.26 -0.99 120.40 117.22 1za7 s VAL 109 Ca 0.11 -0.75 -0.06 0.00 0.00 0.00 0.00 61.98 61.29 1za7 s VAL 109 Cb -0.05 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.77 1za7 s VAL 109 CO 0.06 0.48 0.41 0.42 0.00 0.00 0.00 175.10 176.48 1za7 s THR 110 N 1.11 0.00 0.52 3.92 -4.23 -0.99 -4.70 115.64 111.27 1za7 s THR 110 Ca -0.03 -1.60 -0.22 0.00 -1.18 0.00 0.00 61.69 58.66 1za7 s THR 110 Cb -0.14 -2.45 -0.05 0.00 1.34 0.00 0.00 72.50 71.19 1za7 s THR 110 CO -0.05 0.00 1.33 -1.61 -0.54 0.00 0.00 174.62 173.75 1za7 s GLU 111 N -3.61 3.28 0.17 3.99 8.01 -1.26 -1.16 118.70 128.13 1za7 s GLU 111 Ca 0.29 2.17 -0.33 0.00 0.01 0.00 0.00 54.97 57.11 1za7 s GLU 111 Cb 0.01 -2.31 -0.15 0.00 -4.31 0.00 0.00 34.13 27.37 1za7 s GLU 111 CO 0.15 -1.05 1.40 2.41 0.01 0.00 0.00 175.26 178.17 1za7 n THR 112 N -0.87 0.47 -3.87 3.63 -1.04 -0.42 -4.70 114.28 107.46 1za7 n THR 112 Ca 0.09 -0.12 -0.21 0.00 -2.04 0.00 0.00 64.05 61.78 1za7 n THR 112 Cb 0.45 -1.25 -0.02 0.00 -1.82 0.00 0.00 70.33 67.70 1za7 n THR 112 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1za7 s GLN 113 N 0.17 3.35 0.03 -2.82 -1.52 -1.26 -5.01 119.66 112.60 1za7 s GLN 113 Ca 0.75 -0.82 -0.05 0.00 -1.95 0.00 0.00 55.36 53.29 1za7 s GLN 113 Cb -0.76 -2.86 -0.29 0.00 -0.22 0.00 0.00 33.01 28.88 1za7 s GLN 113 CO 0.46 0.35 0.96 1.15 -0.25 0.00 0.00 175.29 177.96 1za7 h THR 114 N 1.13 1.27 -3.62 -0.19 2.02 -2.01 -3.42 112.91 108.09 1za7 h THR 114 Ca -0.51 -2.86 -0.67 0.00 0.77 0.00 0.00 66.41 63.15 1za7 h THR 114 Cb 1.24 2.85 -0.36 0.00 -1.74 0.00 0.00 68.15 70.14 1za7 h THR 114 CO 0.59 0.84 -0.82 -0.89 0.37 0.00 0.00 175.52 175.62 1za7 s THR 115 N -2.63 2.13 0.18 3.16 2.01 -1.26 -5.03 115.64 114.20 1za7 s THR 115 Ca -0.08 -1.42 -0.18 0.00 0.31 0.00 0.00 61.69 60.32 1za7 s THR 115 Cb 0.06 -2.15 0.14 0.00 0.01 0.00 0.00 72.50 70.57 1za7 s THR 115 CO 0.87 0.14 1.62 0.00 -0.69 0.00 0.00 174.62 176.57 1za7 h ALA 116 N 7.82 0.14 -0.30 7.40 0.00 -1.88 -1.32 119.26 131.13 1za7 h ALA 116 Ca -0.27 0.17 0.09 0.00 0.00 0.00 0.00 54.91 54.90 1za7 h ALA 116 Cb 1.07 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 1za7 h ALA 116 CO 0.51 -0.56 0.22 0.00 0.00 0.00 0.00 179.25 179.43 1za7 h ALA 117 N 1.23 2.24 0.00 0.00 0.00 -1.96 -1.63 119.26 119.14 1za7 h ALA 117 Ca 0.23 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1za7 h ALA 117 Cb 0.47 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1za7 h ALA 117 CO -0.57 -0.38 -0.01 0.00 0.00 0.00 0.00 179.25 178.29 1za7 h ALA 118 N 1.84 1.03 -0.94 0.00 0.00 -1.67 -2.97 119.26 116.55 1za7 h ALA 118 Ca 0.14 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.15 1za7 h ALA 118 Cb 0.59 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.29 1za7 h ALA 118 CO -0.00 0.01 0.57 0.66 0.00 0.00 0.00 179.25 180.49 1za7 h SER 119 N 0.00 0.83 0.43 0.00 4.64 -1.37 -0.43 113.55 117.64 1za7 h SER 119 Ca -0.00 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1za7 h SER 119 Cb 0.24 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1za7 h SER 119 CO 0.00 0.45 0.00 0.49 -0.87 0.00 0.00 176.83 176.90 1za7 n PHE 120 N -4.67 0.66 0.32 4.77 3.01 -1.12 -0.76 117.46 119.67 1za7 n PHE 120 Ca 0.17 0.29 0.12 0.00 1.01 0.00 0.00 57.45 59.04 1za7 n PHE 120 Cb 0.33 -0.97 0.12 0.00 -0.01 0.00 0.00 39.48 38.95 1za7 n PHE 120 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1za7 h GLN 121 N 0.00 0.00 -0.00 -1.08 4.20 -1.27 -3.35 115.11 113.61 1za7 h GLN 121 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1za7 h GLN 121 Cb 0.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1za7 h GLN 121 CO 0.00 0.00 -0.07 1.33 -0.67 0.00 0.00 178.83 179.42 1za7 n VAL 122 N -2.54 0.00 -1.72 -0.54 0.24 -0.85 -5.04 118.33 107.89 1za7 n VAL 122 Ca 0.02 -0.47 -0.42 0.00 -2.04 0.00 0.00 64.34 61.43 1za7 n VAL 122 Cb 0.50 1.00 -0.01 0.00 -1.47 0.00 0.00 33.84 33.86 1za7 n VAL 122 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1za7 n ALA 123 N -0.94 1.62 1.08 2.33 0.00 0.06 -4.88 120.51 119.78 1za7 n ALA 123 Ca 0.00 0.36 0.07 0.00 0.00 0.00 0.00 53.44 53.88 1za7 n ALA 123 Cb 0.03 -2.31 0.24 0.00 0.00 0.00 0.00 19.45 17.40 1za7 n ALA 123 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1za7 n LEU 124 N 0.98 1.67 -3.65 0.00 4.32 -1.26 -4.84 117.00 114.22 1za7 n LEU 124 Ca 0.05 -0.79 -0.02 0.00 -0.02 0.00 0.00 56.01 55.23 1za7 n LEU 124 Cb 0.36 -0.17 -0.06 0.00 -1.62 0.00 0.00 43.42 41.93 1za7 n LEU 124 CO 0.63 0.39 1.19 0.00 -1.22 0.00 0.00 177.39 178.38 1za7 s ALA 125 N -1.65 -2.21 -0.02 -1.18 0.00 -1.26 -4.96 121.76 110.47 1za7 s ALA 125 Ca 0.26 1.73 0.02 0.00 0.00 0.00 0.00 51.96 53.97 1za7 s ALA 125 Cb 0.14 -1.74 0.01 0.00 0.00 0.00 0.00 23.12 21.52 1za7 s ALA 125 CO 0.19 -0.13 -0.06 0.08 0.00 0.00 0.00 175.76 175.84 1za7 s VAL 126 N -0.28 0.52 -0.33 0.00 1.01 -1.26 -4.58 120.40 115.47 1za7 s VAL 126 Ca 0.08 -0.21 -0.20 0.00 0.00 0.00 0.00 61.98 61.66 1za7 s VAL 126 Cb -0.04 -0.48 -0.00 0.00 0.00 0.00 0.00 36.38 35.85 1za7 s VAL 126 CO -0.14 0.18 0.60 0.00 0.00 0.00 0.00 175.10 175.73 1za7 s ALA 127 N 0.31 3.49 -0.13 5.51 0.00 0.45 -4.48 121.76 126.91 1za7 s ALA 127 Ca -0.04 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.13 1za7 s ALA 127 Cb -0.08 -3.09 0.02 0.00 0.00 0.00 0.00 23.12 19.97 1za7 s ALA 127 CO -0.00 -1.19 -0.16 0.34 0.00 0.00 0.00 175.76 174.76 1za7 s ASP 128 N 1.72 2.62 0.00 0.00 -1.08 -1.26 -0.93 116.67 117.74 1za7 s ASP 128 Ca 0.23 -0.47 0.17 0.00 -0.52 0.00 0.00 52.55 51.96 1za7 s ASP 128 Cb -0.15 -1.17 0.76 0.00 -1.46 0.00 0.00 42.92 40.90 1za7 s ASP 128 CO 0.13 -0.00 1.53 -0.46 0.52 0.00 0.00 175.17 176.89 1za7 n ASN 129 N 4.40 0.00 -0.59 -0.34 6.94 -0.70 -2.26 115.26 122.72 1za7 n ASN 129 Ca -0.18 0.38 0.12 0.00 -0.02 0.00 0.00 54.58 54.88 1za7 n ASN 129 Cb 0.51 -0.44 0.41 0.00 -2.36 0.00 0.00 39.78 37.90 1za7 n ASN 129 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1za7 n SER 130 N -1.44 1.81 -4.93 0.53 3.41 -1.26 -4.90 113.62 106.83 1za7 n SER 130 Ca 0.05 -1.65 -0.19 0.00 -0.26 0.00 0.00 58.87 56.82 1za7 n SER 130 Cb 0.18 -0.06 -0.01 0.00 -0.26 0.00 0.00 64.21 64.06 1za7 n SER 130 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1za7 s LYS 131 N -1.89 2.70 0.15 4.33 -0.14 -0.96 -5.03 119.74 118.91 1za7 s LYS 131 Ca 0.35 -1.37 -0.14 0.00 -1.36 0.00 0.00 55.97 53.45 1za7 s LYS 131 Cb 0.20 -2.56 0.04 0.00 -1.68 0.00 0.00 37.83 33.82 1za7 s LYS 131 CO 0.30 -0.18 1.70 -0.44 -0.76 0.00 0.00 175.35 175.97 1za7 h ASP 132 N 0.89 0.70 -3.57 2.83 3.32 -1.90 -3.38 116.42 115.31 1za7 h ASP 132 Ca -0.41 -0.18 -0.70 0.00 0.02 0.00 0.00 57.03 55.76 1za7 h ASP 132 Cb 1.27 -0.18 -0.28 0.00 0.22 0.00 0.00 39.33 40.36 1za7 h ASP 132 CO 0.52 0.68 -0.54 0.68 -1.72 0.00 0.00 179.24 178.87 1za7 s VAL 133 N -5.53 4.01 -1.16 -1.35 -7.23 -1.26 -5.00 120.40 102.89 1za7 s VAL 133 Ca -0.13 -1.26 -0.06 0.00 -1.81 0.00 0.00 61.98 58.72 1za7 s VAL 133 Cb 0.12 -3.37 0.02 0.00 0.56 0.00 0.00 36.38 33.71 1za7 s VAL 133 CO 0.78 -0.34 2.72 0.55 -0.31 0.00 0.00 175.10 178.49 1za7 n VAL 134 N 4.86 4.51 -4.13 1.32 3.14 -1.26 -4.56 118.33 122.21 1za7 n VAL 134 Ca -0.11 -3.39 -0.09 0.00 -2.96 0.00 0.00 64.34 57.79 1za7 n VAL 134 Cb 0.44 -2.15 -0.10 0.00 -1.06 0.00 0.00 33.84 30.97 1za7 n VAL 134 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1za7 s ALA 135 N -0.13 0.76 -0.15 1.55 0.00 -1.26 -3.74 121.76 118.79 1za7 s ALA 135 Ca 0.60 -1.40 -0.02 0.00 0.00 0.00 0.00 51.96 51.15 1za7 s ALA 135 Cb 0.23 0.72 0.05 0.00 0.00 0.00 0.00 23.12 24.11 1za7 s ALA 135 CO -0.10 -0.46 0.02 0.00 0.00 0.00 0.00 175.76 175.22 1za7 s ALA 136 N -4.01 0.94 -0.16 0.00 0.00 0.62 -4.12 121.76 115.02 1za7 s ALA 136 Ca 0.20 -0.53 -0.06 0.00 0.00 0.00 0.00 51.96 51.57 1za7 s ALA 136 Cb 0.08 -1.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.12 1za7 s ALA 136 CO -0.01 -0.93 0.05 1.41 0.00 0.00 0.00 175.76 176.27 1za7 s MET 137 N 1.88 3.72 -0.73 0.00 0.00 -1.26 -0.95 119.30 121.96 1za7 s MET 137 Ca 0.01 -0.35 0.04 0.00 0.00 0.00 0.00 55.69 55.39 1za7 s MET 137 Cb -0.15 -3.10 0.18 0.00 0.00 0.00 0.00 34.83 31.75 1za7 s MET 137 CO -0.07 0.39 0.55 0.66 0.00 0.00 0.00 175.02 176.55 1za7 n TYR 138 N 3.14 3.41 0.21 4.11 4.02 0.13 -4.78 117.16 127.41 1za7 n TYR 138 Ca -0.17 -4.29 0.07 0.00 -0.01 0.00 0.00 57.90 53.50 1za7 n TYR 138 Cb 0.53 -0.69 0.44 0.00 -0.02 0.00 0.00 39.34 39.60 1za7 n TYR 138 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1za7 h PRO 139 N 5.41 0.00 0.00 -0.72 0.13 -1.92 -2.24 132.00 132.66 1za7 h PRO 139 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1za7 h PRO 139 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1za7 h PRO 139 CO 0.74 0.30 -0.89 0.39 -0.23 0.00 0.00 178.00 178.31 1za7 n GLU 140 N -3.67 2.20 -0.33 0.86 -0.58 -1.26 -4.58 120.64 113.27 1za7 n GLU 140 Ca -0.01 0.00 0.15 0.00 -0.42 0.00 0.00 57.16 56.88 1za7 n GLU 140 Cb 0.42 -0.95 0.29 0.00 -0.57 0.00 0.00 31.44 30.63 1za7 n GLU 140 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1za7 n ALA 141 N -2.05 0.50 -0.46 0.62 0.00 -1.26 -2.24 120.51 115.61 1za7 n ALA 141 Ca 0.00 1.02 0.04 0.00 0.00 0.00 0.00 53.44 54.51 1za7 n ALA 141 Cb 0.45 -0.75 0.07 0.00 0.00 0.00 0.00 19.45 19.21 1za7 n ALA 141 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1za7 n PHE 142 N -5.42 0.04 -1.71 0.00 3.01 -1.26 -5.04 117.46 107.09 1za7 n PHE 142 Ca 0.23 -0.71 -0.42 0.00 1.01 0.00 0.00 57.45 57.56 1za7 n PHE 142 Cb 0.74 -0.10 -0.03 0.00 -0.01 0.00 0.00 39.48 40.09 1za7 n PHE 142 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1za7 s LYS 143 N -1.80 4.13 0.00 -1.08 2.20 -0.95 -2.85 119.74 119.39 1za7 s LYS 143 Ca 0.15 2.60 0.00 0.00 -0.36 0.00 0.00 55.97 58.36 1za7 s LYS 143 Cb 0.13 -3.59 0.00 0.00 -1.51 0.00 0.00 37.83 32.86 1za7 s LYS 143 CO 0.02 -0.84 0.00 0.41 -0.36 0.00 0.00 175.35 174.58 1za7 n GLY 144 N 4.24 2.46 3.73 5.54 0.00 0.10 -4.99 105.19 116.27 1za7 n GLY 144 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1za7 n GLY 144 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1za7 s ILE 145 N -2.50 2.33 0.42 -0.61 -4.36 -1.13 -4.52 121.20 110.83 1za7 s ILE 145 Ca 0.00 0.11 -0.01 0.00 -0.26 0.00 0.00 60.65 60.48 1za7 s ILE 145 Cb 0.00 -2.68 -0.02 0.00 1.25 0.00 0.00 42.46 41.00 1za7 s ILE 145 CO 0.00 -0.14 0.66 0.42 0.24 0.00 0.00 174.94 176.12 1za7 s THR 146 N -3.05 4.71 0.35 8.37 -4.23 -1.26 -0.05 115.64 120.49 1za7 s THR 146 Ca 0.64 -0.27 0.06 0.00 -1.18 0.00 0.00 61.69 60.93 1za7 s THR 146 Cb -0.17 -3.75 0.30 0.00 1.34 0.00 0.00 72.50 70.22 1za7 s THR 146 CO 0.56 -0.58 1.93 -0.07 -0.54 0.00 0.00 174.62 175.92 1za7 h LEU 147 N 0.48 0.71 -0.59 4.79 3.38 -1.07 -0.23 115.31 122.77 1za7 h LEU 147 Ca -0.48 0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.52 1za7 h LEU 147 Cb 1.23 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 1za7 h LEU 147 CO 0.60 0.44 0.37 -0.08 0.09 0.00 0.00 178.44 179.86 1za7 h GLU 148 N 0.80 0.72 -0.27 1.13 4.81 -1.17 -1.65 114.58 118.94 1za7 h GLU 148 Ca 0.36 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.41 1za7 h GLU 148 Cb 0.35 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1za7 h GLU 148 CO -0.13 0.48 -0.38 1.96 -0.73 0.00 0.00 179.01 180.20 1za7 h GLN 149 N 0.74 0.63 -0.33 1.92 4.20 -1.48 -1.60 115.11 119.18 1za7 h GLN 149 Ca 0.23 -0.31 0.03 0.00 0.06 0.00 0.00 58.65 58.66 1za7 h GLN 149 Cb -0.02 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 1za7 h GLN 149 CO -0.08 0.91 0.14 1.25 -0.67 0.00 0.00 178.83 180.38 1za7 h LEU 150 N 0.52 0.17 -0.81 1.46 5.85 -0.52 0.48 115.31 122.46 1za7 h LEU 150 Ca 0.05 0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.67 1za7 h LEU 150 Cb 0.89 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 1za7 h LEU 150 CO 0.08 0.14 -0.58 0.00 -0.34 0.00 0.00 178.44 177.74 1za7 h ALA 151 N 1.20 1.01 0.15 1.25 0.00 -1.22 -2.72 119.26 118.93 1za7 h ALA 151 Ca 0.15 -0.53 -0.33 0.00 0.00 0.00 0.00 54.91 54.20 1za7 h ALA 151 Cb 0.10 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1za7 h ALA 151 CO -0.13 0.72 -1.64 0.00 0.00 0.00 0.00 179.25 178.20 1za7 h ALA 152 N 1.38 0.23 0.00 0.00 0.00 -0.82 -3.41 119.26 116.64 1za7 h ALA 152 Ca -0.01 -1.14 -0.18 0.00 0.00 0.00 0.00 54.91 53.59 1za7 h ALA 152 Cb 1.03 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 19.16 1za7 h ALA 152 CO 0.08 1.10 -1.91 -0.25 0.00 0.00 0.00 179.25 178.27 1za7 n ASP 153 N -3.50 0.30 -4.86 0.00 8.00 0.16 -4.97 116.55 111.69 1za7 n ASP 153 Ca -0.20 0.13 -0.24 0.00 0.71 0.00 0.00 54.79 55.19 1za7 n ASP 153 Cb 1.06 1.02 -0.04 0.00 -0.02 0.00 0.00 41.12 43.14 1za7 n ASP 153 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1za7 s LEU 154 N -5.28 3.98 0.03 0.64 1.43 -1.02 -1.31 118.68 117.15 1za7 s LEU 154 Ca -0.07 -0.08 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 1za7 s LEU 154 Cb 0.09 -2.55 -0.02 0.00 0.03 0.00 0.00 46.19 43.74 1za7 s LEU 154 CO 0.85 0.01 -0.03 -0.89 0.23 0.00 0.00 176.35 176.52 1za7 s THR 155 N -1.89 0.17 -0.15 5.49 2.01 -0.31 -4.48 115.64 116.47 1za7 s THR 155 Ca 0.33 -1.08 -0.08 0.00 0.31 0.00 0.00 61.69 61.17 1za7 s THR 155 Cb -0.09 -0.50 -0.04 0.00 0.01 0.00 0.00 72.50 71.87 1za7 s THR 155 CO 0.26 -0.58 0.12 -0.63 -0.69 0.00 0.00 174.62 173.10 1za7 s ILE 156 N -1.87 5.35 -0.06 1.82 1.01 -0.64 -2.35 121.20 124.45 1za7 s ILE 156 Ca -0.12 0.16 0.06 0.00 0.00 0.00 0.00 60.65 60.75 1za7 s ILE 156 Cb -0.07 -3.37 -0.01 0.00 0.01 0.00 0.00 42.46 39.01 1za7 s ILE 156 CO -0.02 0.54 -0.23 -0.31 0.00 0.00 0.00 174.94 174.92 1za7 s TYR 157 N -0.39 2.49 -0.08 3.97 1.51 -0.16 -0.01 117.35 124.68 1za7 s TYR 157 Ca 0.11 -0.61 0.02 0.00 -1.01 0.00 0.00 57.07 55.58 1za7 s TYR 157 Cb -0.12 -1.61 0.01 0.00 -0.11 0.00 0.00 41.96 40.14 1za7 s TYR 157 CO 0.01 -0.15 -0.13 -1.17 -1.11 0.00 0.00 175.55 173.00 1za7 s LEU 158 N -0.25 1.66 0.03 -1.29 2.96 -0.40 -1.76 118.68 119.62 1za7 s LEU 158 Ca -0.01 -0.35 0.06 0.00 -0.22 0.00 0.00 54.13 53.62 1za7 s LEU 158 Cb -0.13 -0.93 -0.02 0.00 0.50 0.00 0.00 46.19 45.61 1za7 s LEU 158 CO 0.03 0.03 -0.19 -0.47 -1.32 0.00 0.00 176.35 174.43 1za7 s TYR 159 N 0.78 1.68 -0.04 5.38 5.04 0.47 -0.71 117.35 129.95 1za7 s TYR 159 Ca -0.12 -0.35 -0.02 0.00 -2.44 0.00 0.00 57.07 54.14 1za7 s TYR 159 Cb -0.16 -1.02 0.02 0.00 0.35 0.00 0.00 41.96 41.15 1za7 s TYR 159 CO 0.02 0.05 0.08 0.45 -1.34 0.00 0.00 175.55 174.81 1za7 s SER 160 N -0.97 -0.05 0.45 4.32 0.15 -1.25 -0.70 113.70 115.65 1za7 s SER 160 Ca 0.06 0.16 0.24 0.00 0.70 0.00 0.00 55.95 57.11 1za7 s SER 160 Cb -0.08 0.10 1.04 0.00 -1.71 0.00 0.00 66.02 65.37 1za7 s SER 160 CO 0.01 -0.09 1.89 0.77 1.20 0.00 0.00 173.24 177.02 1za7 h SER 161 N 6.70 0.00 -2.09 5.45 4.64 -1.16 0.16 113.55 127.25 1za7 h SER 161 Ca -0.35 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.45 1za7 h SER 161 Cb 1.17 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.19 1za7 h SER 161 CO 0.46 0.22 -0.54 0.00 -0.87 0.00 0.00 176.83 176.10 1za7 s ALA 162 N -3.84 3.51 0.58 5.18 0.00 -1.26 -3.29 121.76 122.64 1za7 s ALA 162 Ca -0.01 -1.57 -0.20 0.00 0.00 0.00 0.00 51.96 50.18 1za7 s ALA 162 Cb 0.11 -1.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.13 1za7 s ALA 162 CO 0.63 0.18 1.25 0.00 0.00 0.00 0.00 175.76 177.82 1za7 s ALA 163 N -2.25 2.63 -0.01 0.00 0.00 -1.26 -4.27 121.76 116.60 1za7 s ALA 163 Ca 0.35 1.10 0.07 0.00 0.00 0.00 0.00 51.96 53.47 1za7 s ALA 163 Cb -0.06 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 1za7 s ALA 163 CO 0.24 -1.21 -0.21 -0.51 0.00 0.00 0.00 175.76 174.07 1za7 s LEU 164 N -3.88 2.41 -0.04 0.00 1.43 0.13 -4.88 118.68 113.84 1za7 s LEU 164 Ca 0.75 -0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 53.43 1za7 s LEU 164 Cb -0.33 -1.44 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 1za7 s LEU 164 CO 0.37 0.31 0.17 -0.89 0.23 0.00 0.00 176.35 176.54 1za7 s THR 165 N -0.74 5.45 0.01 5.49 2.01 -1.26 -1.41 115.64 125.20 1za7 s THR 165 Ca 0.12 -0.04 -0.37 0.00 0.31 0.00 0.00 61.69 61.70 1za7 s THR 165 Cb -0.10 -3.50 -0.16 0.00 0.01 0.00 0.00 72.50 68.74 1za7 s THR 165 CO 0.01 0.41 1.42 1.21 -0.69 0.00 0.00 174.62 176.99 1za7 n GLU 166 N 1.25 1.15 -0.32 4.92 0.00 -1.26 -0.90 120.64 125.47 1za7 n GLU 166 Ca -0.13 0.41 0.00 0.00 0.00 0.00 0.00 57.16 57.44 1za7 n GLU 166 Cb 0.53 -2.07 0.00 0.00 0.00 0.00 0.00 31.44 29.91 1za7 n GLU 166 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1za7 n GLY 167 N 2.86 1.23 0.25 8.31 0.00 -0.58 -4.92 105.19 112.33 1za7 n GLY 167 Ca 0.20 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.30 1za7 n GLY 167 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1za7 h ASP 168 N 0.00 0.00 -3.60 1.61 5.19 -1.29 -3.42 116.42 114.91 1za7 h ASP 168 Ca 0.00 0.00 -0.48 0.00 -0.62 0.00 0.00 57.03 55.93 1za7 h ASP 168 Cb 0.00 0.00 -0.32 0.00 0.18 0.00 0.00 39.33 39.19 1za7 h ASP 168 CO 0.00 0.08 -0.80 -0.69 -3.12 0.00 0.00 179.24 174.70 1za7 s VAL 169 N -4.81 1.00 -0.22 -1.35 1.01 -1.26 -2.54 120.40 112.24 1za7 s VAL 169 Ca -0.04 -0.43 -0.06 0.00 0.00 0.00 0.00 61.98 61.45 1za7 s VAL 169 Cb 0.16 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 1za7 s VAL 169 CO 0.66 0.32 0.02 -0.63 0.00 0.00 0.00 175.10 175.47 1za7 s ILE 170 N 0.48 3.97 -0.13 2.22 -1.09 0.37 -1.08 121.20 125.94 1za7 s ILE 170 Ca -0.10 -0.30 -0.19 0.00 -2.23 0.00 0.00 60.65 57.83 1za7 s ILE 170 Cb -0.13 -2.82 -0.04 0.00 -1.58 0.00 0.00 42.46 37.89 1za7 s ILE 170 CO 0.02 0.40 0.53 -0.69 -1.23 0.00 0.00 174.94 173.97 1za7 s VAL 171 N 1.27 5.14 -0.19 2.92 1.01 0.54 -0.67 120.40 130.42 1za7 s VAL 171 Ca 0.04 1.05 -0.04 0.00 0.00 0.00 0.00 61.98 63.03 1za7 s VAL 171 Cb -0.15 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.35 1za7 s VAL 171 CO 0.01 0.28 -0.02 -1.00 0.00 0.00 0.00 175.10 174.37 1za7 s HIS 172 N 0.88 3.02 -0.14 5.22 3.76 0.27 -1.42 115.29 126.88 1za7 s HIS 172 Ca 0.28 -0.49 0.02 0.00 -0.15 0.00 0.00 55.06 54.72 1za7 s HIS 172 Cb -0.16 -2.05 0.01 0.00 1.11 0.00 0.00 32.58 31.49 1za7 s HIS 172 CO 0.11 -0.24 -0.20 -1.17 -0.85 0.00 0.00 174.74 172.40 1za7 s LEU 173 N 0.91 2.00 -0.20 0.89 2.96 -0.31 -1.54 118.68 123.39 1za7 s LEU 173 Ca 0.00 -0.56 0.01 0.00 -0.22 0.00 0.00 54.13 53.37 1za7 s LEU 173 Cb -0.14 -1.35 0.03 0.00 0.50 0.00 0.00 46.19 45.22 1za7 s LEU 173 CO 0.02 0.05 -0.18 -1.61 -1.32 0.00 0.00 176.35 173.31 1za7 s GLU 174 N 0.94 2.88 -0.17 1.98 2.02 0.30 -1.48 118.70 125.16 1za7 s GLU 174 Ca -0.05 -0.91 -0.01 0.00 0.02 0.00 0.00 54.97 54.02 1za7 s GLU 174 Cb -0.15 -2.64 -0.00 0.00 0.10 0.00 0.00 34.13 31.44 1za7 s GLU 174 CO -0.03 -0.27 -0.13 0.08 0.02 0.00 0.00 175.26 174.93 1za7 s VAL 175 N 1.27 2.79 0.00 2.63 1.01 0.21 -0.71 120.40 127.60 1za7 s VAL 175 Ca 0.03 -0.71 -0.22 0.00 0.00 0.00 0.00 61.98 61.08 1za7 s VAL 175 Cb -0.14 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 33.98 1za7 s VAL 175 CO -0.11 0.50 0.64 -0.70 0.00 0.00 0.00 175.10 175.42 1za7 s GLU 176 N 1.01 4.37 0.21 2.72 2.12 -0.34 -0.94 118.70 127.85 1za7 s GLU 176 Ca -0.01 0.82 -0.14 0.00 0.36 0.00 0.00 54.97 56.00 1za7 s GLU 176 Cb -0.15 -3.35 0.01 0.00 0.26 0.00 0.00 34.13 30.90 1za7 s GLU 176 CO -0.02 0.33 0.46 -3.38 -0.54 0.00 0.00 175.26 172.11 1za7 s HIS 177 N -0.11 0.18 0.48 5.30 -3.43 -0.46 0.34 115.29 117.58 1za7 s HIS 177 Ca 0.33 -0.54 -0.23 0.00 -0.80 0.00 0.00 55.06 53.82 1za7 s HIS 177 Cb -0.19 0.23 -0.07 0.00 -1.43 0.00 0.00 32.58 31.12 1za7 s HIS 177 CO 0.19 -0.92 1.20 0.14 -2.00 0.00 0.00 174.74 173.35 1za7 s VAL 178 N -3.95 2.92 0.28 -5.38 -7.23 -0.77 -0.62 120.40 105.65 1za7 s VAL 178 Ca 0.16 0.69 -0.30 0.00 -1.81 0.00 0.00 61.98 60.72 1za7 s VAL 178 Cb -0.00 -3.35 -0.13 0.00 0.56 0.00 0.00 36.38 33.47 1za7 s VAL 178 CO 0.03 -0.01 1.43 0.54 -0.31 0.00 0.00 175.10 176.78 1za7 n ARG 179 N -0.61 2.25 -2.08 4.82 1.74 0.97 -4.72 116.66 119.02 1za7 n ARG 179 Ca 0.08 0.80 -0.42 0.00 -0.77 0.00 0.00 57.85 57.54 1za7 n ARG 179 Cb 0.48 -2.47 -0.03 0.00 -1.02 0.00 0.00 32.46 29.42 1za7 n ARG 179 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 1za7 s PRO 180 N -0.84 3.18 0.15 5.56 0.02 -1.26 -4.84 135.00 136.96 1za7 s PRO 180 Ca 0.64 1.08 -0.16 0.00 0.02 0.00 0.00 61.00 62.58 1za7 s PRO 180 Cb -0.59 -4.22 0.02 0.00 0.02 0.00 0.00 34.50 29.73 1za7 s PRO 180 CO 0.53 -2.06 1.77 1.79 -0.33 0.00 0.00 177.00 178.70 1za7 h THR 181 N 6.76 1.15 0.00 0.99 1.35 -1.98 -2.64 112.91 118.53 1za7 h THR 181 Ca -0.30 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 1za7 h THR 181 Cb 1.15 0.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 1za7 h THR 181 CO 1.10 0.15 0.47 0.15 -0.25 0.00 0.00 175.52 177.14 1za7 h PHE 182 N 0.56 0.00 -1.46 4.73 -0.00 -1.98 -2.70 116.94 116.09 1za7 h PHE 182 Ca 0.15 0.00 -0.67 0.00 -0.00 0.00 0.00 57.97 57.45 1za7 h PHE 182 Cb 0.03 0.00 -0.34 0.00 -0.00 0.00 0.00 35.95 35.64 1za7 h PHE 182 CO -0.03 0.00 0.25 -0.25 -0.00 0.00 0.00 178.31 178.29 1za7 n ASP 183 N -2.79 6.42 -0.15 0.41 8.00 -0.99 -4.28 116.55 123.17 1za7 n ASP 183 Ca -0.02 -3.78 0.05 0.00 0.71 0.00 0.00 54.79 51.75 1za7 n ASP 183 Cb 0.50 -0.77 0.07 0.00 -0.02 0.00 0.00 41.12 40.90 1za7 n ASP 183 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1za7 n ASP 184 N -0.63 1.55 -3.59 -2.24 8.00 -1.02 -5.03 116.55 113.59 1za7 n ASP 184 Ca 0.50 -2.46 -0.10 0.00 0.71 0.00 0.00 54.79 53.44 1za7 n ASP 184 Cb 0.55 -0.26 -0.03 0.00 -0.02 0.00 0.00 41.12 41.37 1za7 n ASP 184 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1za7 s SER 185 N -1.86 -0.42 0.65 -2.24 1.04 -1.26 -5.17 113.70 104.45 1za7 s SER 185 Ca 0.16 -0.24 -0.09 0.00 0.48 0.00 0.00 55.95 56.25 1za7 s SER 185 Cb 0.14 0.61 0.01 0.00 0.10 0.00 0.00 66.02 66.87 1za7 s SER 185 CO 0.02 -1.05 1.02 -0.36 0.98 0.00 0.00 173.24 173.85 1za7 s PHE 186 N -3.81 3.34 0.25 5.02 0.08 -1.26 -5.03 117.98 116.56 1za7 s PHE 186 Ca 0.05 0.94 -0.30 0.00 0.12 0.00 0.00 56.93 57.74 1za7 s PHE 186 Cb -0.02 -2.91 -0.09 0.00 -0.57 0.00 0.00 43.02 39.44 1za7 s PHE 186 CO -0.07 -0.99 1.11 0.99 -0.10 0.00 0.00 175.22 176.16 1za7 s THR 187 N -3.21 3.57 0.16 0.64 2.01 -1.26 -4.94 115.64 112.61 1za7 s THR 187 Ca 0.56 1.49 -0.33 0.00 0.31 0.00 0.00 61.69 63.72 1za7 s THR 187 Cb -0.11 -3.95 -0.13 0.00 0.01 0.00 0.00 72.50 68.33 1za7 s THR 187 CO 0.50 0.32 1.69 -2.65 -0.69 0.00 0.00 174.62 173.79 1za7 n PRO 188 N 1.60 2.50 0.31 4.92 -0.02 -1.26 -4.84 135.00 138.21 1za7 n PRO 188 Ca 0.00 0.90 0.21 0.00 -2.02 0.00 0.00 63.50 62.60 1za7 n PRO 188 Cb 0.45 -2.73 1.09 0.00 -0.02 0.00 0.00 33.50 32.30 1za7 n PRO 188 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1za7 h VAL 189 N 3.94 0.00 0.00 -1.45 -1.51 -2.06 -3.57 116.25 111.60 1za7 h VAL 189 Ca -0.45 -0.04 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 1za7 h VAL 189 Cb 1.23 0.96 0.00 0.00 -2.13 0.00 0.00 31.29 31.35 1za7 h VAL 189 CO 0.93 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 177.27