#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oc0 s GLU 30 N 0.00 2.02 0.00 5.55 2.02 -1.26 -4.95 118.70 122.08 2oc0 s GLU 30 Ca 0.00 -1.00 0.01 0.00 0.02 0.00 0.00 54.97 53.99 2oc0 s GLU 30 Cb 0.00 -2.14 -0.04 0.00 0.10 0.00 0.00 34.13 32.05 2oc0 s GLU 30 CO 0.00 0.54 0.04 0.20 0.02 0.00 0.00 175.26 176.06 2oc0 s GLY 31 N -1.35 1.95 0.16 -1.39 0.00 -0.20 -4.66 107.32 101.83 2oc0 s GLY 31 Ca 0.14 -0.92 0.17 0.00 0.00 0.00 0.00 44.72 44.11 2oc0 s GLY 31 CO 0.04 -0.79 1.06 0.83 0.00 0.00 0.00 173.10 174.24 2oc0 h GLU 32 N 4.17 0.00 -5.27 2.90 3.07 -1.88 -0.94 114.58 116.64 2oc0 h GLU 32 Ca -0.49 0.00 -0.66 0.00 -0.50 0.00 0.00 59.36 57.71 2oc0 h GLU 32 Cb 1.18 0.00 -0.27 0.00 -0.84 0.00 0.00 28.75 28.82 2oc0 h GLU 32 CO 0.60 0.30 -0.76 0.08 -1.40 0.00 0.00 179.01 177.83 2oc0 s VAL 33 N -3.00 3.04 -0.13 3.13 1.01 -1.26 -0.91 120.40 122.27 2oc0 s VAL 33 Ca -0.00 -0.66 -0.04 0.00 0.00 0.00 0.00 61.98 61.28 2oc0 s VAL 33 Cb 0.08 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 2oc0 s VAL 33 CO 0.78 0.51 -0.00 -1.10 0.00 0.00 0.00 175.10 175.30 2oc0 s GLN 34 N 0.54 3.47 -0.43 2.72 1.11 -0.26 -4.96 119.66 121.84 2oc0 s GLN 34 Ca -0.08 -0.44 -0.20 0.00 0.01 0.00 0.00 55.36 54.65 2oc0 s GLN 34 Cb -0.16 -2.93 0.02 0.00 -1.01 0.00 0.00 33.01 28.94 2oc0 s GLN 34 CO 0.04 0.43 0.60 0.42 0.01 0.00 0.00 175.29 176.79 2oc0 s ILE 35 N -0.13 4.88 0.29 1.08 1.01 -1.26 -1.15 121.20 125.92 2oc0 s ILE 35 Ca 0.04 0.03 0.11 0.00 0.00 0.00 0.00 60.65 60.83 2oc0 s ILE 35 Cb -0.13 -4.17 -0.05 0.00 0.01 0.00 0.00 42.46 38.12 2oc0 s ILE 35 CO 0.02 -0.56 -0.11 0.68 0.00 0.00 0.00 174.94 174.98 2oc0 s VAL 36 N 2.68 2.73 -0.08 2.92 -7.23 -0.54 -5.01 120.40 115.87 2oc0 s VAL 36 Ca 0.21 -2.20 -0.21 0.00 -1.81 0.00 0.00 61.98 57.97 2oc0 s VAL 36 Cb -0.15 -2.55 0.05 0.00 0.56 0.00 0.00 36.38 34.29 2oc0 s VAL 36 CO 0.18 -0.34 0.49 -0.94 -0.31 0.00 0.00 175.10 174.18 2oc0 s SER 37 N -3.59 -0.45 0.00 4.85 1.04 -1.26 -0.76 113.70 113.53 2oc0 s SER 37 Ca 0.31 0.58 0.00 0.00 0.48 0.00 0.00 55.95 57.32 2oc0 s SER 37 Cb -0.04 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.69 2oc0 s SER 37 CO 0.17 -0.42 0.00 0.35 0.98 0.00 0.00 173.24 174.32 2oc0 n THR 38 N 1.60 0.00 0.13 2.02 -2.24 0.34 -4.99 114.28 111.14 2oc0 n THR 38 Ca -0.18 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2oc0 n THR 38 Cb 0.56 -0.83 0.14 0.00 -2.10 0.00 0.00 70.33 68.11 2oc0 n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2oc0 h ALA 39 N 0.44 0.82 0.00 6.98 0.00 -2.02 -3.33 119.26 122.16 2oc0 h ALA 39 Ca 0.00 -0.57 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 2oc0 h ALA 39 Cb 0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2oc0 h ALA 39 CO 0.00 0.78 -0.10 1.15 0.00 0.00 0.00 179.25 181.08 2oc0 h THR 40 N 0.00 1.53 -3.07 0.00 2.02 -1.97 -3.50 112.91 107.92 2oc0 h THR 40 Ca -0.01 -2.18 -0.14 0.00 0.77 0.00 0.00 66.41 64.85 2oc0 h THR 40 Cb 1.21 2.92 -0.03 0.00 -1.74 0.00 0.00 68.15 70.51 2oc0 h THR 40 CO 0.08 0.52 -0.04 0.00 0.37 0.00 0.00 175.52 176.45 2oc0 n GLN 41 N -4.61 0.46 -4.51 6.66 0.00 -1.25 -5.17 117.38 108.95 2oc0 n GLN 41 Ca -0.11 -1.58 -0.25 0.00 0.00 0.00 0.00 57.00 55.06 2oc0 n GLN 41 Cb 0.44 1.59 -0.13 0.00 0.00 0.00 0.00 30.24 32.13 2oc0 n GLN 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 2oc0 s THR 42 N -2.63 1.75 0.00 -0.39 2.01 -1.26 -0.50 115.64 114.62 2oc0 s THR 42 Ca 0.16 -1.37 0.00 0.00 0.31 0.00 0.00 61.69 60.78 2oc0 s THR 42 Cb -0.01 -1.55 0.00 0.00 0.01 0.00 0.00 72.50 70.95 2oc0 s THR 42 CO 0.11 0.11 0.00 2.22 -0.69 0.00 0.00 174.62 176.37 2oc0 n PHE 43 N 1.50 -0.07 -4.42 4.92 -1.74 0.06 -4.50 117.46 113.21 2oc0 n PHE 43 Ca -0.18 0.00 -0.20 0.00 -0.56 0.00 0.00 57.45 56.50 2oc0 n PHE 43 Cb 0.53 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.43 2oc0 n PHE 43 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 2oc0 s LEU 44 N 0.00 2.29 0.01 5.98 1.43 -0.25 -1.47 118.68 126.67 2oc0 s LEU 44 Ca 0.00 -1.28 -0.02 0.00 -1.03 0.00 0.00 54.13 51.80 2oc0 s LEU 44 Cb 0.00 -0.45 -0.01 0.00 0.03 0.00 0.00 46.19 45.77 2oc0 s LEU 44 CO 0.00 -0.50 0.03 0.00 0.23 0.00 0.00 176.35 176.11 2oc0 s ALA 45 N -3.23 -0.04 -0.05 4.21 0.00 -0.30 -4.10 121.76 118.25 2oc0 s ALA 45 Ca 0.32 -0.32 0.03 0.00 0.00 0.00 0.00 51.96 52.00 2oc0 s ALA 45 Cb 0.06 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.28 2oc0 s ALA 45 CO 0.13 -0.14 -0.15 0.99 0.00 0.00 0.00 175.76 176.59 2oc0 s THR 46 N -1.12 1.26 -0.33 0.00 2.01 0.86 -1.10 115.64 117.23 2oc0 s THR 46 Ca -0.12 -0.59 -0.20 0.00 0.31 0.00 0.00 61.69 61.08 2oc0 s THR 46 Cb -0.07 -1.11 -0.00 0.00 0.01 0.00 0.00 72.50 71.32 2oc0 s THR 46 CO -0.00 0.38 0.63 0.00 -0.69 0.00 0.00 174.62 174.94 2oc0 s ILE 48 N 2.66 0.77 -1.33 0.00 1.01 0.33 -0.69 121.20 123.95 2oc0 s ILE 48 Ca 0.25 -0.15 -0.05 0.00 0.00 0.00 0.00 60.65 60.70 2oc0 s ILE 48 Cb -0.15 -0.82 0.02 0.00 0.01 0.00 0.00 42.46 41.52 2oc0 s ILE 48 CO 0.13 0.32 0.98 0.59 0.00 0.00 0.00 174.94 176.96 2oc0 n ASN 49 N 4.83 -3.46 0.00 3.58 5.03 -1.23 -2.61 115.26 121.40 2oc0 n ASN 49 Ca -0.13 -0.67 0.00 0.00 0.87 0.00 0.00 54.58 54.65 2oc0 n ASN 49 Cb 0.50 -4.64 0.00 0.00 -1.02 0.00 0.00 39.78 34.63 2oc0 n ASN 49 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2oc0 n GLY 50 N -1.57 0.95 3.34 7.41 0.00 -1.26 -5.02 105.19 109.05 2oc0 n GLY 50 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 2oc0 n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oc0 s VAL 51 N -3.82 2.20 -0.50 1.61 1.01 -1.07 -2.04 120.40 117.78 2oc0 s VAL 51 Ca 0.00 -1.15 -0.18 0.00 0.00 0.00 0.00 61.98 60.65 2oc0 s VAL 51 Cb 0.00 -1.80 0.06 0.00 0.00 0.00 0.00 36.38 34.64 2oc0 s VAL 51 CO 0.00 0.52 0.57 0.00 0.00 0.00 0.00 175.10 176.19 2oc0 s TRP 53 N 2.38 3.52 0.37 0.00 0.52 0.91 -1.70 118.94 124.94 2oc0 s TRP 53 Ca 0.12 0.35 -0.13 0.00 0.02 0.00 0.00 56.10 56.46 2oc0 s TRP 53 Cb -0.21 -1.83 0.04 0.00 -1.15 0.00 0.00 33.47 30.32 2oc0 s TRP 53 CO 0.10 0.58 0.71 -0.08 0.02 0.00 0.00 176.95 178.28 2oc0 s THR 54 N -1.48 0.00 -0.07 2.01 -1.32 -0.85 -0.10 115.64 113.84 2oc0 s THR 54 Ca 0.34 -1.15 -0.28 0.00 -1.21 0.00 0.00 61.69 59.39 2oc0 s THR 54 Cb -0.13 -2.79 -0.02 0.00 -1.51 0.00 0.00 72.50 68.05 2oc0 s THR 54 CO 0.25 0.00 0.94 0.68 -2.21 0.00 0.00 174.62 174.28 2oc0 s VAL 55 N -2.55 4.86 0.46 5.08 -7.23 -1.26 -1.88 120.40 117.87 2oc0 s VAL 55 Ca 0.19 1.93 0.14 0.00 -1.81 0.00 0.00 61.98 62.43 2oc0 s VAL 55 Cb -0.04 -4.26 0.32 0.00 0.56 0.00 0.00 36.38 32.95 2oc0 s VAL 55 CO 0.13 0.09 2.02 0.22 -0.31 0.00 0.00 175.10 177.26 2oc0 h TYR 56 N 6.98 0.33 0.00 2.82 3.20 -1.55 0.78 116.97 129.53 2oc0 h TYR 56 Ca -0.36 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.52 2oc0 h TYR 56 Cb 1.18 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 39.34 2oc0 h TYR 56 CO 0.69 0.17 0.00 -2.39 -1.64 0.00 0.00 178.16 174.99 2oc0 n HIS 57 N -4.47 0.00 -0.06 -3.82 1.44 -1.26 0.69 115.22 107.74 2oc0 n HIS 57 Ca 0.07 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.67 2oc0 n HIS 57 Cb 0.30 -0.27 -0.05 0.00 0.12 0.00 0.00 29.99 30.09 2oc0 n HIS 57 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2oc0 n GLY 58 N 0.11 -0.17 0.09 -1.39 0.00 0.16 -4.77 105.19 99.22 2oc0 n GLY 58 Ca 0.08 -0.07 -0.03 0.00 0.00 0.00 0.00 46.02 46.01 2oc0 n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oc0 n ALA 59 N -3.14 1.81 -0.70 4.61 0.00 -0.55 -4.88 120.51 117.65 2oc0 n ALA 59 Ca -0.22 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.57 2oc0 n ALA 59 Cb 0.69 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.27 2oc0 n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oc0 n GLY 60 N 1.46 2.59 0.58 0.00 0.00 0.22 -2.09 105.19 107.94 2oc0 n GLY 60 Ca -0.13 -0.30 0.08 0.00 0.00 0.00 0.00 46.02 45.67 2oc0 n GLY 60 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2oc0 n THR 61 N 0.00 1.89 -0.66 2.61 -2.24 -1.26 -4.81 114.28 109.82 2oc0 n THR 61 Ca 0.00 -1.78 -0.31 0.00 -2.27 0.00 0.00 64.05 59.69 2oc0 n THR 61 Cb 0.00 -0.08 0.18 0.00 -2.10 0.00 0.00 70.33 68.33 2oc0 n THR 61 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2oc0 s ARG 62 N -2.43 0.75 0.40 -0.78 0.52 -0.89 -4.81 118.95 111.71 2oc0 s ARG 62 Ca 0.33 1.49 0.01 0.00 -0.52 0.00 0.00 55.73 57.04 2oc0 s ARG 62 Cb 0.27 -1.70 -0.01 0.00 0.52 0.00 0.00 34.95 34.02 2oc0 s ARG 62 CO 0.08 -2.80 0.60 0.95 0.02 0.00 0.00 175.30 174.15 2oc0 s THR 63 N -2.62 4.40 -0.04 0.02 -4.23 -1.26 -4.46 115.64 107.45 2oc0 s THR 63 Ca 0.67 -0.55 -0.01 0.00 -1.18 0.00 0.00 61.69 60.62 2oc0 s THR 63 Cb -0.23 -3.61 -0.04 0.00 1.34 0.00 0.00 72.50 69.96 2oc0 s THR 63 CO 0.59 -0.39 0.06 -0.51 -0.54 0.00 0.00 174.62 173.83 2oc0 s ILE 64 N -2.42 4.69 0.57 2.99 2.07 0.09 -4.87 121.20 124.32 2oc0 s ILE 64 Ca 0.45 -0.31 -0.18 0.00 -1.41 0.00 0.00 60.65 59.19 2oc0 s ILE 64 Cb -0.10 -3.09 -0.04 0.00 0.13 0.00 0.00 42.46 39.36 2oc0 s ILE 64 CO 0.36 0.44 1.12 0.00 -1.91 0.00 0.00 174.94 174.95 2oc0 s ALA 65 N -1.10 2.64 0.12 1.50 0.00 -1.26 -0.81 121.76 122.85 2oc0 s ALA 65 Ca 0.20 0.72 -0.21 0.00 0.00 0.00 0.00 51.96 52.67 2oc0 s ALA 65 Cb -0.12 -3.34 0.06 0.00 0.00 0.00 0.00 23.12 19.72 2oc0 s ALA 65 CO 0.10 -0.89 0.52 -1.54 0.00 0.00 0.00 175.76 173.95 2oc0 s SER 66 N -2.05 -0.44 0.28 0.00 1.04 -1.15 -4.83 113.70 106.55 2oc0 s SER 66 Ca 0.71 -0.05 0.19 0.00 0.48 0.00 0.00 55.95 57.27 2oc0 s SER 66 Cb -0.22 0.54 1.03 0.00 0.10 0.00 0.00 66.02 67.47 2oc0 s SER 66 CO 0.31 -0.88 1.60 -2.65 0.98 0.00 0.00 173.24 172.60 2oc0 n PRO 67 N -0.16 0.13 -0.27 4.02 -0.02 -1.26 -0.81 135.00 136.63 2oc0 n PRO 67 Ca -0.17 0.60 0.07 0.00 -2.02 0.00 0.00 63.50 61.98 2oc0 n PRO 67 Cb 0.64 -1.90 0.20 0.00 -0.02 0.00 0.00 33.50 32.41 2oc0 n PRO 67 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2oc0 n LYS 68 N -2.17 2.93 0.00 -0.52 5.02 -1.26 -5.09 118.16 117.08 2oc0 n LYS 68 Ca -0.01 -2.30 0.00 0.00 -2.02 0.00 0.00 58.31 53.98 2oc0 n LYS 68 Cb 0.05 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 2oc0 n LYS 68 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2oc0 n GLY 69 N 0.36 1.21 3.72 0.72 0.00 0.01 -5.01 105.19 106.20 2oc0 n GLY 69 Ca 0.15 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.62 2oc0 n GLY 69 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2oc0 s PRO 70 N -1.50 4.20 -0.11 1.61 0.04 -1.26 -2.95 135.00 135.03 2oc0 s PRO 70 Ca 0.00 2.41 -0.01 0.00 0.04 0.00 0.00 61.00 63.44 2oc0 s PRO 70 Cb 0.00 -3.13 -0.03 0.00 0.04 0.00 0.00 34.50 31.38 2oc0 s PRO 70 CO 0.00 -0.62 -0.06 0.14 0.04 0.00 0.00 177.00 176.50 2oc0 s VAL 71 N 1.00 3.74 0.62 -0.36 -7.23 0.01 -4.91 120.40 113.27 2oc0 s VAL 71 Ca 0.70 -0.44 -0.10 0.00 -1.81 0.00 0.00 61.98 60.33 2oc0 s VAL 71 Cb -0.45 -2.58 -0.02 0.00 0.56 0.00 0.00 36.38 33.89 2oc0 s VAL 71 CO 0.33 0.55 1.01 0.27 -0.31 0.00 0.00 175.10 176.95 2oc0 s ILE 72 N -0.22 4.39 0.54 -0.62 -4.36 -1.26 -0.73 121.20 118.94 2oc0 s ILE 72 Ca 0.03 0.66 -0.21 0.00 -0.26 0.00 0.00 60.65 60.87 2oc0 s ILE 72 Cb -0.13 -3.76 -0.05 0.00 1.25 0.00 0.00 42.46 39.78 2oc0 s ILE 72 CO 0.03 -0.96 1.29 -1.10 0.24 0.00 0.00 174.94 174.43 2oc0 s GLN 73 N -5.16 3.20 -0.14 0.37 -0.21 -1.26 -4.60 119.66 111.86 2oc0 s GLN 73 Ca 0.55 2.06 0.15 0.00 0.02 0.00 0.00 55.36 58.14 2oc0 s GLN 73 Cb -0.11 -2.20 -0.24 0.00 1.00 0.00 0.00 33.01 31.46 2oc0 s GLN 73 CO 0.52 -1.08 0.28 -1.33 -2.12 0.00 0.00 175.29 171.56 2oc0 n MET 74 N -1.07 0.67 -3.97 2.91 2.81 0.29 -4.93 117.12 113.83 2oc0 n MET 74 Ca 0.11 0.11 -0.15 0.00 -1.81 0.00 0.00 57.70 55.96 2oc0 n MET 74 Cb 0.47 -1.62 -0.15 0.00 -0.71 0.00 0.00 33.22 31.21 2oc0 n MET 74 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 2oc0 s TYR 75 N -2.53 0.23 -0.11 2.03 2.02 -0.79 -4.97 117.35 113.22 2oc0 s TYR 75 Ca -0.09 -0.02 -0.03 0.00 -0.37 0.00 0.00 57.07 56.56 2oc0 s TYR 75 Cb 0.07 -0.21 0.04 0.00 -0.40 0.00 0.00 41.96 41.46 2oc0 s TYR 75 CO 0.82 -0.04 0.05 0.99 -1.57 0.00 0.00 175.55 175.81 2oc0 s THR 76 N 0.25 0.11 -0.46 -0.71 2.01 -1.26 -0.48 115.64 115.10 2oc0 s THR 76 Ca -0.02 0.02 0.02 0.00 0.31 0.00 0.00 61.69 62.02 2oc0 s THR 76 Cb -0.05 -0.51 0.14 0.00 0.01 0.00 0.00 72.50 72.10 2oc0 s THR 76 CO -0.01 -0.01 0.27 0.21 -0.69 0.00 0.00 174.62 174.39 2oc0 s ASN 77 N 2.07 3.57 0.28 3.53 3.84 0.24 -4.97 114.94 123.49 2oc0 s ASN 77 Ca 0.03 -2.75 -0.03 0.00 0.21 0.00 0.00 52.86 50.32 2oc0 s ASN 77 Cb -0.14 -1.03 0.38 0.00 -0.55 0.00 0.00 41.25 39.90 2oc0 s ASN 77 CO -0.06 -0.25 1.93 0.58 -2.79 0.00 0.00 177.10 176.51 2oc0 h VAL 78 N 5.14 1.23 -0.03 -5.21 2.07 -1.95 0.15 116.25 117.63 2oc0 h VAL 78 Ca 0.02 -0.49 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 2oc0 h VAL 78 Cb 0.91 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2oc0 h VAL 78 CO 0.49 0.24 0.02 0.44 0.02 0.00 0.00 177.57 178.78 2oc0 h ASP 79 N 1.13 0.04 0.05 0.57 3.45 -1.93 -2.41 116.42 117.33 2oc0 h ASP 79 Ca 0.30 -0.10 0.00 0.00 0.43 0.00 0.00 57.03 57.66 2oc0 h ASP 79 Cb -0.05 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 38.71 2oc0 h ASP 79 CO -0.06 0.13 -0.01 0.00 -1.57 0.00 0.00 179.24 177.73 2oc0 n GLN 80 N -5.02 1.14 -3.37 3.56 6.02 -1.14 -4.90 117.38 113.67 2oc0 n GLN 80 Ca -0.07 -0.30 -0.19 0.00 -0.01 0.00 0.00 57.00 56.44 2oc0 n GLN 80 Cb 0.07 -1.49 0.07 0.00 1.02 0.00 0.00 30.24 29.91 2oc0 n GLN 80 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2oc0 n ASP 81 N -0.67 -5.01 -4.07 1.08 2.03 -0.26 -4.94 116.55 104.72 2oc0 n ASP 81 Ca 0.21 -0.46 -0.24 0.00 0.52 0.00 0.00 54.79 54.83 2oc0 n ASP 81 Cb 0.20 -4.27 -0.16 0.00 -0.72 0.00 0.00 41.12 36.17 2oc0 n ASP 81 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2oc0 s LEU 82 N -6.12 1.83 0.10 -2.67 2.96 0.36 -1.51 118.68 113.62 2oc0 s LEU 82 Ca 0.40 -0.29 0.03 0.00 -0.22 0.00 0.00 54.13 54.06 2oc0 s LEU 82 Cb -0.18 -0.80 -0.04 0.00 0.50 0.00 0.00 46.19 45.67 2oc0 s LEU 82 CO 0.60 0.10 -0.10 0.68 -1.32 0.00 0.00 176.35 176.32 2oc0 s VAL 83 N 0.20 0.90 -0.15 1.68 -7.23 -0.79 0.82 120.40 115.83 2oc0 s VAL 83 Ca -0.05 -1.66 -0.14 0.00 -1.81 0.00 0.00 61.98 58.32 2oc0 s VAL 83 Cb -0.11 -1.37 0.04 0.00 0.56 0.00 0.00 36.38 35.50 2oc0 s VAL 83 CO 0.02 -0.59 0.40 -0.83 -0.31 0.00 0.00 175.10 173.78 2oc0 s GLY 84 N -2.49 -0.30 0.36 2.32 0.00 0.37 -2.00 107.32 105.58 2oc0 s GLY 84 Ca 0.06 1.11 0.06 0.00 0.00 0.00 0.00 44.72 45.94 2oc0 s GLY 84 CO -0.00 0.96 0.02 -0.98 0.00 0.00 0.00 173.10 173.09 2oc0 s TRP 85 N 0.20 2.23 0.33 1.90 0.51 -0.69 0.11 118.94 123.53 2oc0 s TRP 85 Ca -0.00 -0.79 -0.28 0.00 -2.12 0.00 0.00 56.10 52.90 2oc0 s TRP 85 Cb -0.03 -1.50 -0.10 0.00 -0.81 0.00 0.00 33.47 31.04 2oc0 s TRP 85 CO 0.01 0.25 1.25 -2.14 -0.51 0.00 0.00 176.95 175.81 2oc0 s PRO 86 N -3.79 4.35 0.15 4.98 0.02 -1.26 -0.99 135.00 138.46 2oc0 s PRO 86 Ca 0.35 2.10 -0.34 0.00 0.02 0.00 0.00 61.00 63.13 2oc0 s PRO 86 Cb 0.09 -3.03 -0.15 0.00 0.02 0.00 0.00 34.50 31.42 2oc0 s PRO 86 CO 0.16 -0.15 1.44 0.00 -0.33 0.00 0.00 177.00 178.13 2oc0 n ALA 87 N 0.76 0.35 -1.40 -1.55 0.00 -0.87 -4.52 120.51 113.27 2oc0 n ALA 87 Ca 0.00 0.47 -0.14 0.00 0.00 0.00 0.00 53.44 53.77 2oc0 n ALA 87 Cb 0.43 -2.22 0.15 0.00 0.00 0.00 0.00 19.45 17.81 2oc0 n ALA 87 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2oc0 n PRO 88 N 2.78 -1.51 -2.90 0.00 -0.04 -1.26 -4.97 135.00 127.10 2oc0 n PRO 88 Ca 0.17 -1.33 -0.35 0.00 -0.04 0.00 0.00 63.50 61.94 2oc0 n PRO 88 Cb 0.25 -1.01 -0.06 0.00 -0.04 0.00 0.00 33.50 32.64 2oc0 n PRO 88 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2oc0 s GLN 89 N -4.89 4.36 0.00 0.54 -0.21 -1.26 -3.63 119.66 114.57 2oc0 s GLN 89 Ca 0.51 1.10 0.00 0.00 0.02 0.00 0.00 55.36 56.99 2oc0 s GLN 89 Cb -0.03 -2.63 0.00 0.00 1.00 0.00 0.00 33.01 31.35 2oc0 s GLN 89 CO 0.37 0.22 0.00 0.41 -2.12 0.00 0.00 175.29 174.17 2oc0 n GLY 90 N 0.21 0.64 3.61 3.09 0.00 -1.26 -5.04 105.19 106.44 2oc0 n GLY 90 Ca 0.02 -0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 2oc0 n GLY 90 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2oc0 s SER 91 N -2.01 4.26 -0.02 1.61 1.04 -1.24 -1.03 113.70 116.31 2oc0 s SER 91 Ca 0.00 -0.83 -0.03 0.00 0.48 0.00 0.00 55.95 55.57 2oc0 s SER 91 Cb 0.00 -0.64 0.00 0.00 0.10 0.00 0.00 66.02 65.49 2oc0 s SER 91 CO 0.00 -0.08 0.07 0.00 0.98 0.00 0.00 173.24 174.21 2oc0 s ARG 92 N -3.67 0.19 0.45 4.02 1.70 -0.36 -4.72 118.95 116.57 2oc0 s ARG 92 Ca 0.33 -0.09 -0.20 0.00 -0.47 0.00 0.00 55.73 55.30 2oc0 s ARG 92 Cb -0.04 0.08 -0.10 0.00 -0.57 0.00 0.00 34.95 34.32 2oc0 s ARG 92 CO 0.19 -0.03 0.95 -1.12 -1.08 0.00 0.00 175.30 174.21 2oc0 s SER 93 N -0.44 6.86 -0.01 -2.89 0.01 -1.26 -3.77 113.70 112.21 2oc0 s SER 93 Ca -0.05 1.65 -0.06 0.00 1.31 0.00 0.00 55.95 58.80 2oc0 s SER 93 Cb -0.03 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.62 2oc0 s SER 93 CO 0.00 -0.41 0.24 -0.22 0.41 0.00 0.00 173.24 173.26 2oc0 s LEU 94 N -3.38 4.37 -0.04 2.44 2.96 0.13 -4.92 118.68 120.24 2oc0 s LEU 94 Ca 0.61 0.51 -0.21 0.00 -0.22 0.00 0.00 54.13 54.82 2oc0 s LEU 94 Cb -0.09 -2.61 -0.05 0.00 0.50 0.00 0.00 46.19 43.95 2oc0 s LEU 94 CO 0.17 0.27 0.62 -0.89 -1.32 0.00 0.00 176.35 175.21 2oc0 s THR 95 N -1.28 4.98 0.46 3.68 2.01 -1.26 -3.52 115.64 120.71 2oc0 s THR 95 Ca 0.26 1.29 -0.24 0.00 0.31 0.00 0.00 61.69 63.32 2oc0 s THR 95 Cb -0.13 -3.96 -0.07 0.00 0.01 0.00 0.00 72.50 68.34 2oc0 s THR 95 CO 0.15 0.35 1.22 -2.16 -0.69 0.00 0.00 174.62 173.50 2oc0 s PRO 96 N 0.26 3.72 0.35 4.92 0.04 -1.26 -0.50 135.00 142.52 2oc0 s PRO 96 Ca 0.33 1.93 -0.28 0.00 0.04 0.00 0.00 61.00 63.02 2oc0 s PRO 96 Cb -0.18 -2.47 -0.09 0.00 0.04 0.00 0.00 34.50 31.79 2oc0 s PRO 96 CO 0.17 -0.63 1.23 0.00 0.04 0.00 0.00 177.00 177.81 2oc0 n THR 98 N 0.61 0.14 0.85 0.00 -2.24 -1.26 -4.78 114.28 107.59 2oc0 n THR 98 Ca 0.01 -0.15 0.10 0.00 -2.27 0.00 0.00 64.05 61.73 2oc0 n THR 98 Cb 0.44 0.83 0.02 0.00 -2.10 0.00 0.00 70.33 69.51 2oc0 n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2oc0 n GLY 100 N 1.24 -0.49 3.80 0.00 0.00 -1.26 -4.96 105.19 103.52 2oc0 n GLY 100 Ca 0.09 0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 2oc0 n GLY 100 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2oc0 s SER 101 N -2.60 5.34 0.00 1.61 0.15 -1.26 -4.97 113.70 111.97 2oc0 s SER 101 Ca 0.32 1.76 0.15 0.00 0.70 0.00 0.00 55.95 58.88 2oc0 s SER 101 Cb -0.17 -2.52 0.11 0.00 -1.71 0.00 0.00 66.02 61.74 2oc0 s SER 101 CO 0.40 -1.47 0.96 -1.20 1.20 0.00 0.00 173.24 173.13 2oc0 n SER 102 N -2.74 2.21 -4.34 5.45 7.64 -1.26 -4.80 113.62 115.78 2oc0 n SER 102 Ca 0.09 -1.61 -0.46 0.00 1.01 0.00 0.00 58.87 57.90 2oc0 n SER 102 Cb 0.53 0.01 -0.04 0.00 -1.01 0.00 0.00 64.21 63.70 2oc0 n SER 102 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2oc0 s ASP 103 N -1.23 6.41 0.45 6.43 1.01 -1.26 -0.58 116.67 127.91 2oc0 s ASP 103 Ca 0.17 -2.05 0.06 0.00 0.71 0.00 0.00 52.55 51.44 2oc0 s ASP 103 Cb 0.12 -2.24 0.01 0.00 1.01 0.00 0.00 42.92 41.83 2oc0 s ASP 103 CO 0.18 -0.82 0.62 -0.76 0.21 0.00 0.00 175.17 174.60 2oc0 s LEU 104 N 1.39 3.58 -0.17 1.23 1.02 0.18 -3.67 118.68 122.24 2oc0 s LEU 104 Ca 0.12 -0.25 -0.04 0.00 0.02 0.00 0.00 54.13 53.98 2oc0 s LEU 104 Cb -0.21 -2.75 0.08 0.00 0.02 0.00 0.00 46.19 43.33 2oc0 s LEU 104 CO -0.01 -0.83 0.28 -0.31 0.02 0.00 0.00 176.35 175.49 2oc0 s TYR 105 N -2.46 -0.46 -0.02 0.29 2.02 0.33 -0.67 117.35 116.37 2oc0 s TYR 105 Ca 0.54 0.80 -0.21 0.00 -0.37 0.00 0.00 57.07 57.83 2oc0 s TYR 105 Cb -0.10 -0.09 -0.05 0.00 -0.40 0.00 0.00 41.96 41.32 2oc0 s TYR 105 CO 0.35 -0.47 0.61 -1.17 -1.57 0.00 0.00 175.55 173.30 2oc0 s LEU 106 N 2.42 4.39 -0.19 -1.29 2.96 0.13 -0.70 118.68 126.41 2oc0 s LEU 106 Ca 0.04 1.15 -0.06 0.00 -0.22 0.00 0.00 54.13 55.04 2oc0 s LEU 106 Cb -0.13 -2.94 -0.03 0.00 0.50 0.00 0.00 46.19 43.58 2oc0 s LEU 106 CO -0.11 0.05 0.04 -0.69 -1.32 0.00 0.00 176.35 174.33 2oc0 s VAL 107 N 0.04 4.44 0.60 1.68 1.01 -1.09 0.55 120.40 127.63 2oc0 s VAL 107 Ca 0.32 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.16 2oc0 s VAL 107 Cb -0.18 -3.00 0.07 0.00 0.00 0.00 0.00 36.38 33.26 2oc0 s VAL 107 CO 0.17 0.44 0.84 0.42 0.00 0.00 0.00 175.10 176.98 2oc0 s THR 108 N 0.64 2.47 -0.98 3.92 -4.23 0.95 -4.44 115.64 113.97 2oc0 s THR 108 Ca 0.02 -0.67 0.10 0.00 -1.18 0.00 0.00 61.69 59.96 2oc0 s THR 108 Cb -0.13 -2.80 0.08 0.00 1.34 0.00 0.00 72.50 70.98 2oc0 s THR 108 CO 0.02 0.00 1.31 -2.11 -0.54 0.00 0.00 174.62 173.30 2oc0 n ARG 109 N -2.49 0.01 -0.25 3.99 1.85 -1.26 -0.28 116.66 118.23 2oc0 n ARG 109 Ca 0.11 0.35 0.10 0.00 -1.00 0.00 0.00 57.85 57.40 2oc0 n ARG 109 Cb 0.60 -1.51 0.23 0.00 -1.05 0.00 0.00 32.46 30.73 2oc0 n ARG 109 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2oc0 n HIS 110 N -1.53 0.65 -1.29 2.89 8.25 -1.26 -4.93 115.22 118.00 2oc0 n HIS 110 Ca 0.02 -0.38 -0.08 0.00 -0.26 0.00 0.00 57.72 57.02 2oc0 n HIS 110 Cb 0.11 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.18 2oc0 n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2oc0 n ALA 111 N 1.29 -0.13 -1.84 -1.41 0.00 0.62 -5.01 120.51 114.03 2oc0 n ALA 111 Ca 0.19 0.13 -0.37 0.00 0.00 0.00 0.00 53.44 53.38 2oc0 n ALA 111 Cb 0.55 -1.10 -0.06 0.00 0.00 0.00 0.00 19.45 18.84 2oc0 n ALA 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2oc0 s ASP 112 N -2.90 7.30 -0.15 0.00 1.01 -1.25 -4.76 116.67 115.93 2oc0 s ASP 112 Ca 0.00 1.76 -0.03 0.00 0.71 0.00 0.00 52.55 54.99 2oc0 s ASP 112 Cb 0.00 -2.55 -0.02 0.00 1.01 0.00 0.00 42.92 41.36 2oc0 s ASP 112 CO 0.00 -0.03 -0.07 -0.69 0.21 0.00 0.00 175.17 174.59 2oc0 s VAL 113 N -1.57 3.62 -0.21 -1.27 1.01 -1.26 -0.03 120.40 120.69 2oc0 s VAL 113 Ca 0.48 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 62.02 2oc0 s VAL 113 Cb -0.19 -2.57 0.05 0.00 0.00 0.00 0.00 36.38 33.67 2oc0 s VAL 113 CO 0.24 0.50 -0.09 -0.63 0.00 0.00 0.00 175.10 175.12 2oc0 s ILE 114 N 0.35 1.66 0.14 2.22 1.01 0.19 -4.92 121.20 121.86 2oc0 s ILE 114 Ca -0.06 -1.13 -0.31 0.00 0.00 0.00 0.00 60.65 59.15 2oc0 s ILE 114 Cb -0.15 -1.79 -0.08 0.00 0.01 0.00 0.00 42.46 40.45 2oc0 s ILE 114 CO 0.04 0.08 1.37 -2.16 0.00 0.00 0.00 174.94 174.26 2oc0 s PRO 115 N 1.37 4.34 0.01 2.79 0.04 -1.26 0.20 135.00 142.48 2oc0 s PRO 115 Ca -0.03 2.08 0.05 0.00 0.04 0.00 0.00 61.00 63.14 2oc0 s PRO 115 Cb -0.17 -3.23 -0.02 0.00 0.04 0.00 0.00 34.50 31.12 2oc0 s PRO 115 CO -0.07 -0.38 -0.17 0.08 0.04 0.00 0.00 177.00 176.50 2oc0 s VAL 116 N 0.77 1.35 -0.29 -0.36 1.01 0.15 -1.39 120.40 121.63 2oc0 s VAL 116 Ca 0.62 -0.85 -0.12 0.00 0.00 0.00 0.00 61.98 61.63 2oc0 s VAL 116 Cb -0.37 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 2oc0 s VAL 116 CO 0.33 0.28 0.22 -0.60 0.00 0.00 0.00 175.10 175.32 2oc0 s ARG 117 N -0.67 3.88 -0.01 2.72 6.06 0.83 -0.65 118.95 131.12 2oc0 s ARG 117 Ca 0.06 -0.34 -0.30 0.00 -2.50 0.00 0.00 55.73 52.65 2oc0 s ARG 117 Cb -0.07 -3.68 -0.06 0.00 0.06 0.00 0.00 34.95 31.19 2oc0 s ARG 117 CO 0.00 -0.23 1.61 0.50 -2.50 0.00 0.00 175.30 174.68 2oc0 s ARG 118 N 1.78 4.20 -0.02 5.12 3.52 0.26 0.01 118.95 133.82 2oc0 s ARG 118 Ca 0.08 2.20 0.18 0.00 -0.13 0.00 0.00 55.73 58.06 2oc0 s ARG 118 Cb -0.16 -3.80 -0.27 0.00 -1.56 0.00 0.00 34.95 29.16 2oc0 s ARG 118 CO 0.11 -0.77 0.48 0.54 -0.81 0.00 0.00 175.30 174.85 2oc0 n ARG 119 N 6.37 0.67 -3.79 5.12 5.12 0.23 -4.92 116.66 125.47 2oc0 n ARG 119 Ca 0.16 -0.13 -0.01 0.00 -1.93 0.00 0.00 57.85 55.93 2oc0 n ARG 119 Cb 0.42 -1.42 0.02 0.00 -1.16 0.00 0.00 32.46 30.32 2oc0 n ARG 119 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2oc0 n GLY 120 N 1.45 0.53 0.50 -0.13 0.00 -0.72 -4.94 105.19 101.88 2oc0 n GLY 120 Ca -0.02 -1.11 0.37 0.00 0.00 0.00 0.00 46.02 45.25 2oc0 n GLY 120 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2oc0 h ASP 121 N 1.88 0.22 -0.23 1.61 1.82 -1.99 -2.70 116.42 117.02 2oc0 h ASP 121 Ca -0.24 0.10 -0.21 0.00 -0.39 0.00 0.00 57.03 56.28 2oc0 h ASP 121 Cb 1.13 0.08 -0.29 0.00 0.68 0.00 0.00 39.33 40.93 2oc0 h ASP 121 CO 0.33 -0.10 -0.75 -1.54 -1.61 0.00 0.00 179.24 175.58 2oc0 n SER 122 N -4.53 0.24 -3.80 2.28 3.41 -1.26 -4.56 113.62 105.41 2oc0 n SER 122 Ca 0.35 -2.10 -0.13 0.00 -0.26 0.00 0.00 58.87 56.73 2oc0 n SER 122 Cb 1.40 0.03 -0.09 0.00 -0.26 0.00 0.00 64.21 65.29 2oc0 n SER 122 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2oc0 s ARG 123 N -2.01 0.60 -0.00 4.33 6.06 -1.02 -2.09 118.95 124.83 2oc0 s ARG 123 Ca 0.19 -0.26 -0.26 0.00 -2.50 0.00 0.00 55.73 52.90 2oc0 s ARG 123 Cb 0.37 0.26 0.06 0.00 0.06 0.00 0.00 34.95 35.70 2oc0 s ARG 123 CO -0.08 -0.16 0.59 0.20 -2.50 0.00 0.00 175.30 173.35 2oc0 s GLY 124 N -1.35 -0.49 -0.14 8.12 0.00 -0.97 -0.60 107.32 111.88 2oc0 s GLY 124 Ca -0.14 0.94 -0.03 0.00 0.00 0.00 0.00 44.72 45.49 2oc0 s GLY 124 CO 0.03 0.62 -0.04 -1.35 0.00 0.00 0.00 173.10 172.36 2oc0 s SER 125 N -1.54 4.77 0.41 1.64 1.04 0.10 -0.72 113.70 119.40 2oc0 s SER 125 Ca -0.09 -0.11 -0.27 0.00 0.48 0.00 0.00 55.95 55.97 2oc0 s SER 125 Cb -0.01 -1.69 -0.10 0.00 0.10 0.00 0.00 66.02 64.32 2oc0 s SER 125 CO 0.04 0.20 1.43 -0.76 0.98 0.00 0.00 173.24 175.14 2oc0 s LEU 126 N 0.16 4.23 0.38 2.42 1.43 0.90 -0.12 118.68 128.07 2oc0 s LEU 126 Ca -0.02 2.94 0.19 0.00 -1.03 0.00 0.00 54.13 56.20 2oc0 s LEU 126 Cb -0.14 -3.81 0.71 0.00 0.03 0.00 0.00 46.19 42.99 2oc0 s LEU 126 CO 0.03 -0.98 1.75 -0.07 0.23 0.00 0.00 176.35 177.31 2oc0 h LEU 127 N 2.70 0.00 -6.93 1.79 3.38 -1.55 -3.39 115.31 111.31 2oc0 h LEU 127 Ca -0.51 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 56.96 2oc0 h LEU 127 Cb 1.25 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.60 2oc0 h LEU 127 CO 0.63 0.37 -0.77 -0.44 0.09 0.00 0.00 178.44 178.32 2oc0 s SER 128 N -6.47 3.09 0.48 -0.43 0.01 -1.26 -5.13 113.70 103.99 2oc0 s SER 128 Ca -0.00 -1.03 -0.22 0.00 1.31 0.00 0.00 55.95 56.01 2oc0 s SER 128 Cb 0.11 -0.35 -0.10 0.00 0.21 0.00 0.00 66.02 65.89 2oc0 s SER 128 CO 0.69 -0.40 0.78 -2.65 0.41 0.00 0.00 173.24 172.07 2oc0 n PRO 129 N 5.23 0.90 -4.20 12.44 -0.02 -1.26 -5.01 135.00 143.08 2oc0 n PRO 129 Ca -0.06 0.33 -0.16 0.00 -2.02 0.00 0.00 63.50 61.59 2oc0 n PRO 129 Cb 0.45 -1.85 -0.11 0.00 -0.02 0.00 0.00 33.50 31.97 2oc0 n PRO 129 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2oc0 s ARG 130 N -2.03 0.91 0.49 -0.52 3.00 -0.70 -4.95 118.95 115.15 2oc0 s ARG 130 Ca 0.66 -1.17 -0.24 0.00 0.00 0.00 0.00 55.73 54.98 2oc0 s ARG 130 Cb -0.53 -0.70 -0.07 0.00 0.00 0.00 0.00 34.95 33.66 2oc0 s ARG 130 CO 0.55 0.12 1.41 -2.30 0.00 0.00 0.00 175.30 175.08 2oc0 n PRO 131 N 0.62 2.05 -0.06 3.54 -0.02 -1.26 -0.35 135.00 139.51 2oc0 n PRO 131 Ca -0.16 0.74 0.22 0.00 -2.02 0.00 0.00 63.50 62.28 2oc0 n PRO 131 Cb 0.57 -2.61 0.69 0.00 -0.02 0.00 0.00 33.50 32.13 2oc0 n PRO 131 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 2oc0 h ILE 132 N 1.98 0.69 0.00 4.25 2.10 -1.65 0.17 117.51 125.05 2oc0 h ILE 132 Ca -0.51 -0.01 -0.01 0.00 1.08 0.00 0.00 64.86 65.41 2oc0 h ILE 132 Cb 1.28 0.66 -0.00 0.00 -1.09 0.00 0.00 36.82 37.67 2oc0 h ILE 132 CO 0.60 0.01 -0.05 0.77 -1.08 0.00 0.00 178.15 178.39 2oc0 h SER 133 N 0.03 0.00 0.28 2.19 4.64 -1.89 -1.61 113.55 117.19 2oc0 h SER 133 Ca 0.31 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.53 2oc0 h SER 133 Cb 1.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 2oc0 h SER 133 CO -0.01 0.05 -0.38 0.22 -0.87 0.00 0.00 176.83 175.83 2oc0 h TYR 134 N 0.00 0.17 -0.02 4.77 3.20 -1.30 -2.88 116.97 120.91 2oc0 h TYR 134 Ca -0.00 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.83 2oc0 h TYR 134 Cb 0.09 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.32 2oc0 h TYR 134 CO 0.00 0.52 -0.19 1.28 -1.64 0.00 0.00 178.16 178.13 2oc0 n LEU 135 N -4.06 2.23 -4.71 2.82 4.32 -0.67 -4.92 117.00 112.01 2oc0 n LEU 135 Ca -0.01 -0.76 -0.42 0.00 -0.02 0.00 0.00 56.01 54.80 2oc0 n LEU 135 Cb 0.44 -0.01 -0.03 0.00 -1.62 0.00 0.00 43.42 42.20 2oc0 n LEU 135 CO 0.40 0.39 1.41 -0.75 -1.22 0.00 0.00 177.39 177.62 2oc0 s LYS 136 N -2.22 4.14 0.00 3.23 2.47 -0.81 -2.60 119.74 123.95 2oc0 s LYS 136 Ca 0.26 2.58 0.00 0.00 -1.56 0.00 0.00 55.97 57.25 2oc0 s LYS 136 Cb 0.19 -3.34 0.00 0.00 -1.46 0.00 0.00 37.83 33.22 2oc0 s LYS 136 CO 0.42 -0.79 0.00 0.41 0.16 0.00 0.00 175.35 175.55 2oc0 n GLY 137 N 4.09 0.59 0.54 5.54 0.00 -1.26 -4.83 105.19 109.85 2oc0 n GLY 137 Ca 0.17 -0.28 0.08 0.00 0.00 0.00 0.00 46.02 45.99 2oc0 n GLY 137 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2oc0 n SER 138 N 0.51 2.06 -4.72 1.61 7.64 -1.07 -3.79 113.62 115.85 2oc0 n SER 138 Ca 0.00 -1.53 -0.43 0.00 1.01 0.00 0.00 58.87 57.93 2oc0 n SER 138 Cb 0.00 0.19 -0.02 0.00 -1.01 0.00 0.00 64.21 63.37 2oc0 n SER 138 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2oc0 n SER 139 N 0.50 3.61 0.00 6.43 7.64 -1.26 -0.52 113.62 130.02 2oc0 n SER 139 Ca 0.08 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.09 2oc0 n SER 139 Cb 0.38 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.03 2oc0 n SER 139 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2oc0 n GLY 140 N 2.49 2.52 3.63 0.23 0.00 0.05 -1.10 105.19 113.02 2oc0 n GLY 140 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 2oc0 n GLY 140 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2oc0 s GLY 141 N -2.59 1.57 0.20 -0.02 0.00 0.32 -3.33 107.32 103.47 2oc0 s GLY 141 Ca 0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 44.72 44.46 2oc0 s GLY 141 CO 0.00 0.42 0.46 2.56 0.00 0.00 0.00 173.10 176.54 2oc0 s PRO 142 N -4.80 3.69 -0.30 2.90 0.04 -1.26 -0.90 135.00 134.37 2oc0 s PRO 142 Ca 0.66 0.05 -0.07 0.00 0.04 0.00 0.00 61.00 61.69 2oc0 s PRO 142 Cb -0.21 -2.75 0.01 0.00 0.04 0.00 0.00 34.50 31.60 2oc0 s PRO 142 CO 0.60 0.38 0.08 -0.51 0.04 0.00 0.00 177.00 177.58 2oc0 s LEU 143 N -2.85 3.86 0.12 -3.56 2.01 0.45 -2.69 118.68 116.02 2oc0 s LEU 143 Ca 0.44 -0.74 0.02 0.00 0.01 0.00 0.00 54.13 53.86 2oc0 s LEU 143 Cb -0.12 -1.87 -0.04 0.00 0.01 0.00 0.00 46.19 44.17 2oc0 s LEU 143 CO 0.24 -0.20 0.20 -0.76 1.01 0.00 0.00 176.35 176.84 2oc0 s LEU 144 N 1.49 4.15 0.70 1.79 1.02 0.12 0.20 118.68 128.15 2oc0 s LEU 144 Ca 0.02 0.10 0.03 0.00 0.02 0.00 0.00 54.13 54.30 2oc0 s LEU 144 Cb -0.17 -2.75 0.13 0.00 0.02 0.00 0.00 46.19 43.42 2oc0 s LEU 144 CO 0.02 0.10 0.96 0.00 0.02 0.00 0.00 176.35 177.46 2oc0 n PRO 146 N -2.72 0.09 -0.29 0.00 -0.02 -1.24 -0.76 135.00 130.06 2oc0 n PRO 146 Ca 0.17 0.57 0.10 0.00 -2.02 0.00 0.00 63.50 62.32 2oc0 n PRO 146 Cb 0.61 -1.84 0.26 0.00 -0.02 0.00 0.00 33.50 32.51 2oc0 n PRO 146 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2oc0 n ALA 147 N -1.65 2.35 -1.04 3.55 0.00 -1.26 -4.94 120.51 117.52 2oc0 n ALA 147 Ca -0.01 -1.19 -0.02 0.00 0.00 0.00 0.00 53.44 52.23 2oc0 n ALA 147 Cb 0.07 -0.80 -0.01 0.00 0.00 0.00 0.00 19.45 18.71 2oc0 n ALA 147 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oc0 n GLY 148 N 1.37 0.44 3.84 0.00 0.00 0.06 -5.01 105.19 105.90 2oc0 n GLY 148 Ca 0.20 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 2oc0 n GLY 148 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2oc0 s HIS 149 N -1.75 3.49 -0.03 1.61 3.76 -1.26 -4.78 115.29 116.33 2oc0 s HIS 149 Ca 0.00 1.17 -0.30 0.00 -0.15 0.00 0.00 55.06 55.78 2oc0 s HIS 149 Cb 0.00 -2.48 -0.06 0.00 1.11 0.00 0.00 32.58 31.15 2oc0 s HIS 149 CO 0.00 0.24 1.62 0.00 -0.85 0.00 0.00 174.74 175.74 2oc0 s ALA 150 N -1.76 3.63 -0.16 -1.40 0.00 0.34 -1.30 121.76 121.11 2oc0 s ALA 150 Ca 0.48 0.98 0.17 0.00 0.00 0.00 0.00 51.96 53.58 2oc0 s ALA 150 Cb -0.13 -3.72 -0.24 0.00 0.00 0.00 0.00 23.12 19.03 2oc0 s ALA 150 CO 0.19 -1.28 0.24 0.28 0.00 0.00 0.00 175.76 175.19 2oc0 n VAL 151 N 5.23 1.42 0.00 0.00 0.31 0.13 0.18 118.33 125.60 2oc0 n VAL 151 Ca 0.16 -0.84 0.00 0.00 -0.01 0.00 0.00 64.34 63.66 2oc0 n VAL 151 Cb 0.42 -0.60 0.00 0.00 -0.91 0.00 0.00 33.84 32.75 2oc0 n VAL 151 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2oc0 n GLY 152 N 1.69 -0.91 3.57 2.92 0.00 -1.13 -1.44 105.19 109.89 2oc0 n GLY 152 Ca -0.28 -1.09 -0.34 0.00 0.00 0.00 0.00 46.02 44.31 2oc0 n GLY 152 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2oc0 s LEU 153 N 0.00 3.40 -0.16 0.99 1.43 0.63 -0.41 118.68 124.56 2oc0 s LEU 153 Ca 0.00 -0.02 -0.29 0.00 -1.03 0.00 0.00 54.13 52.79 2oc0 s LEU 153 Cb 0.00 -1.81 -0.06 0.00 0.03 0.00 0.00 46.19 44.36 2oc0 s LEU 153 CO 0.00 0.24 2.13 0.12 0.23 0.00 0.00 176.35 179.07 2oc0 s PHE 154 N -0.06 1.22 -0.18 0.29 5.36 -0.08 -0.21 117.98 124.31 2oc0 s PHE 154 Ca 0.03 0.28 -0.19 0.00 -0.96 0.00 0.00 56.93 56.09 2oc0 s PHE 154 Cb -0.13 -4.02 -0.16 0.00 -0.34 0.00 0.00 43.02 38.37 2oc0 s PHE 154 CO 0.02 -4.43 0.20 -0.09 -1.46 0.00 0.00 175.22 169.47 2oc0 h ARG 155 N 13.79 0.00 -1.99 10.12 2.43 -1.11 0.19 114.38 137.81 2oc0 h ARG 155 Ca -0.43 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.74 2oc0 h ARG 155 Cb 1.24 0.00 -0.19 0.00 -0.42 0.00 0.00 29.97 30.59 2oc0 h ARG 155 CO 0.96 0.77 0.32 0.00 -1.51 0.00 0.00 179.97 180.50 2oc0 s ALA 156 N -2.42 -1.80 0.15 2.80 0.00 -1.08 -4.82 121.76 114.59 2oc0 s ALA 156 Ca -0.24 1.30 -0.21 0.00 0.00 0.00 0.00 51.96 52.81 2oc0 s ALA 156 Cb 0.04 -0.09 -0.08 0.00 0.00 0.00 0.00 23.12 22.99 2oc0 s ALA 156 CO 0.51 -0.41 0.68 0.00 0.00 0.00 0.00 175.76 176.54 2oc0 s ALA 157 N -1.55 3.49 -0.45 0.00 0.00 -1.26 0.45 121.76 122.44 2oc0 s ALA 157 Ca -0.06 0.18 -0.10 0.00 0.00 0.00 0.00 51.96 51.98 2oc0 s ALA 157 Cb -0.00 -2.79 0.10 0.00 0.00 0.00 0.00 23.12 20.42 2oc0 s ALA 157 CO 0.04 0.35 0.32 0.08 0.00 0.00 0.00 175.76 176.54 2oc0 s VAL 158 N -1.26 4.38 0.21 0.00 1.01 0.23 -4.86 120.40 120.10 2oc0 s VAL 158 Ca 0.36 -1.52 0.10 0.00 0.00 0.00 0.00 61.98 60.92 2oc0 s VAL 158 Cb -0.20 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 2oc0 s VAL 158 CO 0.22 -0.63 -0.12 0.00 0.00 0.00 0.00 175.10 174.57 2oc0 s THR 160 N -1.91 1.11 -1.29 0.00 2.01 -0.03 -4.80 115.64 110.73 2oc0 s THR 160 Ca 0.26 -0.69 -0.01 0.00 0.31 0.00 0.00 61.69 61.56 2oc0 s THR 160 Cb -0.08 -1.32 0.01 0.00 0.01 0.00 0.00 72.50 71.12 2oc0 s THR 160 CO 0.15 0.08 0.81 0.54 -0.69 0.00 0.00 174.62 175.51 2oc0 n ARG 161 N 4.86 -5.53 -1.17 4.92 1.74 -1.26 -1.99 116.66 118.23 2oc0 n ARG 161 Ca -0.12 0.69 -0.06 0.00 -0.77 0.00 0.00 57.85 57.59 2oc0 n ARG 161 Cb 0.47 -5.41 -0.03 0.00 -1.02 0.00 0.00 32.46 26.48 2oc0 n ARG 161 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2oc0 n GLY 162 N -1.47 0.80 3.06 -0.13 0.00 -1.26 -5.01 105.19 101.18 2oc0 n GLY 162 Ca -0.27 -0.37 -0.31 0.00 0.00 0.00 0.00 46.02 45.07 2oc0 n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oc0 s VAL 163 N -2.05 1.72 -0.39 1.61 1.01 -0.84 -1.65 120.40 119.81 2oc0 s VAL 163 Ca 0.00 -0.74 -0.26 0.00 0.00 0.00 0.00 61.98 60.99 2oc0 s VAL 163 Cb 0.00 -1.59 0.02 0.00 0.00 0.00 0.00 36.38 34.81 2oc0 s VAL 163 CO 0.00 0.48 0.93 0.00 0.00 0.00 0.00 175.10 176.51 2oc0 s ALA 164 N 1.34 3.37 -0.29 5.51 0.00 0.52 -0.85 121.76 131.36 2oc0 s ALA 164 Ca 0.03 -0.53 0.11 0.00 0.00 0.00 0.00 51.96 51.58 2oc0 s ALA 164 Cb -0.13 -3.56 -0.15 0.00 0.00 0.00 0.00 23.12 19.28 2oc0 s ALA 164 CO -0.10 -1.71 0.37 1.63 0.00 0.00 0.00 175.76 175.96 2oc0 n LYS 165 N 6.87 1.95 -4.02 0.00 5.02 -1.06 -1.71 118.16 125.21 2oc0 n LYS 165 Ca 0.07 -0.05 -0.11 0.00 -2.02 0.00 0.00 58.31 56.20 2oc0 n LYS 165 Cb 0.48 -1.14 -0.04 0.00 -0.02 0.00 0.00 35.03 34.31 2oc0 n LYS 165 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2oc0 s ALA 166 N -2.40 0.14 0.00 7.82 0.00 -1.11 -0.07 121.76 126.14 2oc0 s ALA 166 Ca 0.00 -1.14 -0.10 0.00 0.00 0.00 0.00 51.96 50.72 2oc0 s ALA 166 Cb 0.08 1.06 0.01 0.00 0.00 0.00 0.00 23.12 24.27 2oc0 s ALA 166 CO 0.47 -0.84 0.20 0.14 0.00 0.00 0.00 175.76 175.73 2oc0 s VAL 167 N -3.42 0.08 0.03 0.00 -7.23 0.10 -0.60 120.40 109.36 2oc0 s VAL 167 Ca 0.25 -0.65 -0.04 0.00 -1.81 0.00 0.00 61.98 59.73 2oc0 s VAL 167 Cb -0.01 -0.54 -0.05 0.00 0.56 0.00 0.00 36.38 36.34 2oc0 s VAL 167 CO 0.14 -0.35 0.25 -1.81 -0.31 0.00 0.00 175.10 173.02 2oc0 s ASP 168 N -1.45 6.44 -0.00 4.85 1.01 0.17 -2.30 116.67 125.40 2oc0 s ASP 168 Ca -0.13 0.46 -0.16 0.00 0.71 0.00 0.00 52.55 53.43 2oc0 s ASP 168 Cb -0.06 -2.05 0.03 0.00 1.01 0.00 0.00 42.92 41.85 2oc0 s ASP 168 CO 0.02 0.22 0.33 0.72 0.21 0.00 0.00 175.17 176.67 2oc0 s PHE 169 N -1.39 -0.20 -0.41 4.23 -0.12 -0.89 -0.49 117.98 118.73 2oc0 s PHE 169 Ca 0.30 0.26 -0.20 0.00 -0.05 0.00 0.00 56.93 57.24 2oc0 s PHE 169 Cb -0.13 0.12 0.02 0.00 -0.63 0.00 0.00 43.02 42.40 2oc0 s PHE 169 CO 0.20 -0.43 0.61 0.42 -0.05 0.00 0.00 175.22 175.96 2oc0 s ILE 170 N -1.61 4.88 0.44 -4.49 1.01 0.70 -4.59 121.20 117.55 2oc0 s ILE 170 Ca -0.11 0.22 -0.25 0.00 0.00 0.00 0.00 60.65 60.50 2oc0 s ILE 170 Cb -0.04 -4.13 -0.09 0.00 0.01 0.00 0.00 42.46 38.21 2oc0 s ILE 170 CO 0.03 -0.47 1.35 -2.65 0.00 0.00 0.00 174.94 173.20 2oc0 n PRO 171 N 6.10 2.09 0.10 2.79 -0.02 -1.26 -0.27 135.00 144.54 2oc0 n PRO 171 Ca -0.02 0.74 0.18 0.00 -2.02 0.00 0.00 63.50 62.38 2oc0 n PRO 171 Cb 0.48 -2.51 0.74 0.00 -0.02 0.00 0.00 33.50 32.19 2oc0 n PRO 171 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2oc0 h VAL 172 N 2.18 0.62 -0.77 -1.45 -1.51 -1.55 -0.54 116.25 113.23 2oc0 h VAL 172 Ca -0.49 0.00 0.05 0.00 -1.23 0.00 0.00 66.70 65.03 2oc0 h VAL 172 Cb 1.28 0.78 -0.06 0.00 -2.13 0.00 0.00 31.29 31.16 2oc0 h VAL 172 CO 0.60 0.00 0.46 -0.33 -1.23 0.00 0.00 177.57 177.08 2oc0 h GLU 173 N 0.00 0.83 -0.55 5.19 3.07 -1.90 0.22 114.58 121.45 2oc0 h GLU 173 Ca 0.17 -0.05 0.06 0.00 -0.50 0.00 0.00 59.36 59.04 2oc0 h GLU 173 Cb 0.77 -0.19 -0.05 0.00 -0.84 0.00 0.00 28.75 28.44 2oc0 h GLU 173 CO -0.00 0.55 0.25 -0.91 -1.40 0.00 0.00 179.01 177.50 2oc0 h ASN 174 N 0.86 0.33 0.17 1.42 4.21 -1.45 0.43 115.58 121.55 2oc0 h ASN 174 Ca 0.33 0.04 -0.01 0.00 1.21 0.00 0.00 56.30 57.88 2oc0 h ASN 174 Cb 0.15 -0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.34 2oc0 h ASN 174 CO -0.16 0.22 -0.08 -0.07 -1.29 0.00 0.00 177.43 176.05 2oc0 h LEU 175 N 0.48 -0.19 -1.57 1.61 4.07 -1.30 0.03 115.31 118.43 2oc0 h LEU 175 Ca 0.25 -0.11 0.13 0.00 0.08 0.00 0.00 57.88 58.23 2oc0 h LEU 175 Cb 0.21 0.05 -0.05 0.00 1.08 0.00 0.00 40.66 41.95 2oc0 h LEU 175 CO -0.20 -0.00 0.48 -0.33 -1.08 0.00 0.00 178.44 177.30 2oc0 h GLU 176 N -0.37 0.43 0.03 1.13 5.08 0.35 -1.83 114.58 119.40 2oc0 h GLU 176 Ca -0.02 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.15 2oc0 h GLU 176 Cb 0.29 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.46 2oc0 h GLU 176 CO 0.04 0.28 -0.65 1.15 -1.00 0.00 0.00 179.01 178.84 2oc0 h THR 177 N 0.44 1.45 -0.86 1.13 2.02 0.08 -3.27 112.91 113.91 2oc0 h THR 177 Ca 0.34 -2.18 0.09 0.00 0.77 0.00 0.00 66.41 65.43 2oc0 h THR 177 Cb 0.72 2.73 -0.06 0.00 -1.74 0.00 0.00 68.15 69.80 2oc0 h THR 177 CO -0.11 0.63 0.56 0.74 0.37 0.00 0.00 175.52 177.71 2oc0 h THR 178 N -0.17 0.97 0.00 3.16 2.02 -0.21 -3.51 112.91 115.18 2oc0 h THR 178 Ca -0.09 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.80 2oc0 h THR 178 Cb 1.39 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 2oc0 h THR 178 CO 0.13 0.16 0.00 0.23 0.37 0.00 0.00 175.52 176.40