#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oc1 s GLU 30 N 0.00 2.97 0.00 5.55 2.02 -1.26 -4.92 118.70 123.06 2oc1 s GLU 30 Ca 0.00 -0.49 -0.00 0.00 0.02 0.00 0.00 54.97 54.50 2oc1 s GLU 30 Cb 0.00 -2.71 -0.04 0.00 0.10 0.00 0.00 34.13 31.48 2oc1 s GLU 30 CO 0.00 0.62 0.07 0.20 0.02 0.00 0.00 175.26 176.17 2oc1 s GLY 31 N -0.67 2.00 -0.02 -1.39 0.00 -0.90 -4.72 107.32 101.62 2oc1 s GLY 31 Ca 0.10 -0.89 0.13 0.00 0.00 0.00 0.00 44.72 44.07 2oc1 s GLY 31 CO 0.02 -0.77 0.72 0.83 0.00 0.00 0.00 173.10 173.90 2oc1 h GLU 32 N 4.07 0.00 -5.14 2.90 3.07 -1.88 -0.92 114.58 116.69 2oc1 h GLU 32 Ca -0.49 0.00 -0.65 0.00 -0.50 0.00 0.00 59.36 57.72 2oc1 h GLU 32 Cb 1.18 0.00 -0.26 0.00 -0.84 0.00 0.00 28.75 28.83 2oc1 h GLU 32 CO 0.62 0.50 -0.73 0.08 -1.40 0.00 0.00 179.01 178.08 2oc1 s VAL 33 N -2.64 3.36 -0.09 3.13 1.01 -1.26 -1.37 120.40 122.54 2oc1 s VAL 33 Ca -0.04 -0.52 -0.04 0.00 0.00 0.00 0.00 61.98 61.38 2oc1 s VAL 33 Cb 0.08 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 2oc1 s VAL 33 CO 0.82 0.47 0.09 -1.10 0.00 0.00 0.00 175.10 175.38 2oc1 s GLN 34 N 0.97 3.25 -0.33 2.72 1.11 -0.53 -4.94 119.66 121.91 2oc1 s GLN 34 Ca -0.01 -0.28 -0.12 0.00 0.01 0.00 0.00 55.36 54.97 2oc1 s GLN 34 Cb -0.15 -3.02 -0.01 0.00 -1.01 0.00 0.00 33.01 28.82 2oc1 s GLN 34 CO 0.00 0.73 0.21 0.42 0.01 0.00 0.00 175.29 176.66 2oc1 s ILE 35 N -1.03 5.03 0.40 1.08 1.01 -1.26 -0.46 121.20 125.96 2oc1 s ILE 35 Ca 0.16 -0.32 0.08 0.00 0.00 0.00 0.00 60.65 60.57 2oc1 s ILE 35 Cb -0.12 -3.59 -0.05 0.00 0.01 0.00 0.00 42.46 38.71 2oc1 s ILE 35 CO 0.06 -0.00 0.18 0.68 0.00 0.00 0.00 174.94 175.85 2oc1 s VAL 36 N 1.68 2.42 -0.04 2.92 -7.23 0.02 -5.00 120.40 115.17 2oc1 s VAL 36 Ca 0.05 -1.69 -0.14 0.00 -1.81 0.00 0.00 61.98 58.39 2oc1 s VAL 36 Cb -0.17 -2.98 0.03 0.00 0.56 0.00 0.00 36.38 33.81 2oc1 s VAL 36 CO 0.09 -0.03 0.32 -0.44 -0.31 0.00 0.00 175.10 174.73 2oc1 s SER 37 N -3.90 -0.23 -0.07 4.85 0.01 -1.26 -1.23 113.70 111.87 2oc1 s SER 37 Ca 0.41 0.21 0.11 0.00 1.31 0.00 0.00 55.95 57.99 2oc1 s SER 37 Cb 0.03 0.39 0.17 0.00 0.21 0.00 0.00 66.02 66.81 2oc1 s SER 37 CO 0.23 -0.38 1.07 0.35 0.41 0.00 0.00 173.24 174.91 2oc1 n THR 38 N 1.60 1.15 0.00 1.44 -2.24 0.97 -4.98 114.28 112.22 2oc1 n THR 38 Ca -0.20 -1.37 0.00 0.00 -2.27 0.00 0.00 64.05 60.21 2oc1 n THR 38 Cb 0.56 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 2oc1 n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2oc1 n ALA 39 N -0.86 0.00 0.11 6.98 0.00 -1.26 -4.38 120.51 121.10 2oc1 n ALA 39 Ca 0.09 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.40 2oc1 n ALA 39 Cb 0.63 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.00 2oc1 n ALA 39 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2oc1 h THR 40 N 0.00 0.87 -1.91 0.00 2.02 -1.97 -3.48 112.91 108.44 2oc1 h THR 40 Ca 0.00 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 66.51 2oc1 h THR 40 Cb 0.00 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 2oc1 h THR 40 CO 0.00 0.14 0.00 0.00 0.37 0.00 0.00 175.52 176.03 2oc1 n GLN 41 N -5.07 0.00 -3.88 6.66 0.00 -1.26 -5.18 117.38 108.66 2oc1 n GLN 41 Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 57.00 56.79 2oc1 n GLN 41 Cb 0.24 0.00 -0.14 0.00 0.00 0.00 0.00 30.24 30.34 2oc1 n GLN 41 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 2oc1 s THR 42 N -2.35 0.01 0.00 -0.39 -1.32 -1.26 -0.02 115.64 110.31 2oc1 s THR 42 Ca 0.00 -0.08 0.00 0.00 -1.21 0.00 0.00 61.69 60.40 2oc1 s THR 42 Cb 0.00 -0.04 0.00 0.00 -1.51 0.00 0.00 72.50 70.95 2oc1 s THR 42 CO 0.00 -0.04 0.00 2.22 -2.21 0.00 0.00 174.62 174.59 2oc1 n PHE 43 N 2.94 -0.06 -4.48 9.09 -1.74 -0.36 -4.47 117.46 118.38 2oc1 n PHE 43 Ca -0.13 0.00 -0.23 0.00 -0.56 0.00 0.00 57.45 56.53 2oc1 n PHE 43 Cb 0.60 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.49 2oc1 n PHE 43 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 2oc1 s LEU 44 N 0.00 2.49 0.07 5.98 1.43 -0.31 -0.80 118.68 127.54 2oc1 s LEU 44 Ca 0.00 -1.28 0.01 0.00 -1.03 0.00 0.00 54.13 51.83 2oc1 s LEU 44 Cb 0.00 -0.64 -0.03 0.00 0.03 0.00 0.00 46.19 45.55 2oc1 s LEU 44 CO 0.00 -0.43 -0.06 0.00 0.23 0.00 0.00 176.35 176.09 2oc1 s ALA 45 N -3.01 0.75 -0.04 4.21 0.00 0.39 -4.00 121.76 120.05 2oc1 s ALA 45 Ca 0.33 -1.11 -0.00 0.00 0.00 0.00 0.00 51.96 51.18 2oc1 s ALA 45 Cb 0.06 0.14 0.03 0.00 0.00 0.00 0.00 23.12 23.35 2oc1 s ALA 45 CO 0.15 -0.18 0.00 0.99 0.00 0.00 0.00 175.76 176.72 2oc1 s THR 46 N -2.84 0.24 -0.25 0.00 2.01 0.49 -1.45 115.64 113.85 2oc1 s THR 46 Ca 0.03 0.11 -0.24 0.00 0.31 0.00 0.00 61.69 61.90 2oc1 s THR 46 Cb 0.00 -0.37 -0.01 0.00 0.01 0.00 0.00 72.50 72.14 2oc1 s THR 46 CO -0.04 0.19 0.80 0.00 -0.69 0.00 0.00 174.62 174.89 2oc1 s ILE 48 N 2.82 0.55 -1.32 0.00 1.01 0.71 -0.20 121.20 124.77 2oc1 s ILE 48 Ca 0.34 -0.11 -0.02 0.00 0.00 0.00 0.00 60.65 60.86 2oc1 s ILE 48 Cb -0.15 -0.58 -0.00 0.00 0.01 0.00 0.00 42.46 41.73 2oc1 s ILE 48 CO 0.08 0.23 0.63 0.59 0.00 0.00 0.00 174.94 176.48 2oc1 n ASN 49 N 4.16 -1.33 0.00 3.58 3.02 -1.23 -1.34 115.26 122.11 2oc1 n ASN 49 Ca -0.23 -0.88 0.00 0.00 -0.03 0.00 0.00 54.58 53.44 2oc1 n ASN 49 Cb 0.51 -3.76 0.00 0.00 -0.61 0.00 0.00 39.78 35.92 2oc1 n ASN 49 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2oc1 n GLY 50 N -1.69 0.14 3.33 7.41 0.00 -1.26 -4.96 105.19 108.17 2oc1 n GLY 50 Ca -0.28 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 2oc1 n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oc1 s VAL 51 N -1.32 2.39 -0.56 1.61 1.01 -0.45 -1.45 120.40 121.63 2oc1 s VAL 51 Ca 0.00 -0.95 -0.19 0.00 0.00 0.00 0.00 61.98 60.83 2oc1 s VAL 51 Cb 0.00 -1.89 0.08 0.00 0.00 0.00 0.00 36.38 34.57 2oc1 s VAL 51 CO 0.00 0.57 0.68 0.00 0.00 0.00 0.00 175.10 176.35 2oc1 s TRP 53 N 2.72 3.47 0.28 0.00 0.52 0.14 -1.67 118.94 124.41 2oc1 s TRP 53 Ca 0.14 0.57 -0.19 0.00 0.02 0.00 0.00 56.10 56.63 2oc1 s TRP 53 Cb -0.22 -2.04 0.06 0.00 -1.15 0.00 0.00 33.47 30.13 2oc1 s TRP 53 CO 0.09 0.28 0.89 -0.08 0.02 0.00 0.00 176.95 178.14 2oc1 s THR 54 N -1.94 0.00 0.05 2.01 -1.32 -0.36 -0.38 115.64 113.71 2oc1 s THR 54 Ca 0.42 -0.82 -0.25 0.00 -1.21 0.00 0.00 61.69 59.83 2oc1 s THR 54 Cb -0.11 -2.73 -0.06 0.00 -1.51 0.00 0.00 72.50 68.09 2oc1 s THR 54 CO 0.28 0.00 0.77 0.68 -2.21 0.00 0.00 174.62 174.14 2oc1 s VAL 55 N -2.48 4.71 0.51 5.08 -7.23 -1.26 -1.94 120.40 117.79 2oc1 s VAL 55 Ca 0.17 1.65 0.16 0.00 -1.81 0.00 0.00 61.98 62.15 2oc1 s VAL 55 Cb -0.04 -4.12 0.26 0.00 0.56 0.00 0.00 36.38 33.03 2oc1 s VAL 55 CO 0.08 0.37 2.12 0.22 -0.31 0.00 0.00 175.10 177.58 2oc1 h TYR 56 N 5.63 0.00 0.00 2.82 3.20 -1.01 0.15 116.97 127.77 2oc1 h TYR 56 Ca -0.44 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.43 2oc1 h TYR 56 Cb 1.21 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.47 2oc1 h TYR 56 CO 0.65 0.03 0.00 -2.39 -1.64 0.00 0.00 178.16 174.81 2oc1 n HIS 57 N -4.50 0.00 -0.00 -3.82 1.44 -1.26 -0.65 115.22 106.42 2oc1 n HIS 57 Ca -0.03 0.00 -0.03 0.00 -2.01 0.00 0.00 57.72 55.65 2oc1 n HIS 57 Cb 0.11 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.21 2oc1 n HIS 57 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2oc1 n GLY 58 N 0.36 -0.07 0.14 -1.39 0.00 0.43 -4.86 105.19 99.81 2oc1 n GLY 58 Ca 0.13 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 2oc1 n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oc1 h ALA 59 N -0.13 0.28 -0.26 4.61 0.00 -1.36 -3.47 119.26 118.93 2oc1 h ALA 59 Ca -0.07 -1.25 0.00 0.00 0.00 0.00 0.00 54.91 53.59 2oc1 h ALA 59 Cb 0.82 0.57 0.00 0.00 0.00 0.00 0.00 17.79 19.19 2oc1 h ALA 59 CO -0.04 1.15 0.00 0.41 0.00 0.00 0.00 179.25 180.77 2oc1 n GLY 60 N 1.92 1.67 0.81 0.00 0.00 0.17 -1.96 105.19 107.80 2oc1 n GLY 60 Ca -0.28 -0.47 0.07 0.00 0.00 0.00 0.00 46.02 45.34 2oc1 n GLY 60 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2oc1 n THR 61 N 0.00 0.84 -1.44 2.61 -2.24 -1.26 -4.82 114.28 107.97 2oc1 n THR 61 Ca 0.00 -0.92 -0.37 0.00 -2.27 0.00 0.00 64.05 60.49 2oc1 n THR 61 Cb 0.00 0.63 0.06 0.00 -2.10 0.00 0.00 70.33 68.93 2oc1 n THR 61 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2oc1 n ARG 62 N 0.86 0.57 -2.50 -0.78 1.74 -0.83 -4.78 116.66 110.94 2oc1 n ARG 62 Ca 0.14 0.24 -0.25 0.00 -0.77 0.00 0.00 57.85 57.21 2oc1 n ARG 62 Cb 0.47 -2.02 0.03 0.00 -1.02 0.00 0.00 32.46 29.92 2oc1 n ARG 62 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2oc1 s THR 63 N -1.73 3.35 -0.08 0.55 -4.23 -1.26 -4.56 115.64 107.68 2oc1 s THR 63 Ca 0.72 -0.23 0.00 0.00 -1.18 0.00 0.00 61.69 61.00 2oc1 s THR 63 Cb -0.38 -3.32 -0.03 0.00 1.34 0.00 0.00 72.50 70.11 2oc1 s THR 63 CO 0.51 -0.30 -0.06 -0.51 -0.54 0.00 0.00 174.62 173.73 2oc1 s ILE 64 N -2.92 3.77 0.54 2.99 2.07 0.40 -4.87 121.20 123.19 2oc1 s ILE 64 Ca 0.54 -0.45 -0.21 0.00 -1.41 0.00 0.00 60.65 59.13 2oc1 s ILE 64 Cb -0.10 -2.56 -0.05 0.00 0.13 0.00 0.00 42.46 39.88 2oc1 s ILE 64 CO 0.43 0.59 1.27 0.00 -1.91 0.00 0.00 174.94 175.32 2oc1 s ALA 65 N -0.72 2.76 0.04 1.50 0.00 -1.26 -0.56 121.76 123.51 2oc1 s ALA 65 Ca 0.11 1.16 -0.14 0.00 0.00 0.00 0.00 51.96 53.09 2oc1 s ALA 65 Cb -0.11 -3.50 0.02 0.00 0.00 0.00 0.00 23.12 19.53 2oc1 s ALA 65 CO 0.02 -1.17 0.30 0.45 0.00 0.00 0.00 175.76 175.36 2oc1 s SER 66 N -1.23 -0.13 0.00 0.00 0.15 -1.17 -4.82 113.70 106.49 2oc1 s SER 66 Ca 0.72 -0.16 0.10 0.00 0.70 0.00 0.00 55.95 57.31 2oc1 s SER 66 Cb -0.35 0.35 0.46 0.00 -1.71 0.00 0.00 66.02 64.76 2oc1 s SER 66 CO 0.41 -0.59 1.29 -2.65 1.20 0.00 0.00 173.24 172.90 2oc1 n PRO 67 N 0.68 0.04 -0.13 5.44 -0.02 -1.26 -1.47 135.00 138.29 2oc1 n PRO 67 Ca -0.19 0.29 0.04 0.00 -2.02 0.00 0.00 63.50 61.62 2oc1 n PRO 67 Cb 0.59 -1.50 0.11 0.00 -0.02 0.00 0.00 33.50 32.68 2oc1 n PRO 67 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2oc1 n LYS 68 N -1.44 2.91 0.00 -0.52 5.02 -1.26 -5.10 118.16 117.77 2oc1 n LYS 68 Ca 0.03 -1.90 0.00 0.00 -2.02 0.00 0.00 58.31 54.43 2oc1 n LYS 68 Cb 0.11 -1.19 0.00 0.00 -0.02 0.00 0.00 35.03 33.92 2oc1 n LYS 68 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2oc1 n GLY 69 N 0.18 1.74 3.72 0.72 0.00 -0.54 -5.04 105.19 105.97 2oc1 n GLY 69 Ca 0.08 -2.11 -0.43 0.00 0.00 0.00 0.00 46.02 43.56 2oc1 n GLY 69 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2oc1 n PRO 70 N 0.18 2.35 -4.71 1.61 -0.04 -1.26 -3.05 135.00 130.08 2oc1 n PRO 70 Ca 0.00 0.83 -0.33 0.00 -0.04 0.00 0.00 63.50 63.96 2oc1 n PRO 70 Cb 0.00 -2.52 -0.12 0.00 -0.04 0.00 0.00 33.50 30.82 2oc1 n PRO 70 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2oc1 s VAL 71 N -0.49 3.42 0.34 0.52 1.01 0.27 -4.92 120.40 120.55 2oc1 s VAL 71 Ca 0.61 -0.57 -0.06 0.00 0.00 0.00 0.00 61.98 61.96 2oc1 s VAL 71 Cb -0.56 -2.39 -0.05 0.00 0.00 0.00 0.00 36.38 33.38 2oc1 s VAL 71 CO 0.55 0.58 0.63 0.27 0.00 0.00 0.00 175.10 177.12 2oc1 s ILE 72 N -0.50 4.97 0.37 2.22 -4.36 -1.26 -0.45 121.20 122.19 2oc1 s ILE 72 Ca 0.07 0.14 -0.28 0.00 -0.26 0.00 0.00 60.65 60.32 2oc1 s ILE 72 Cb -0.12 -3.76 -0.11 0.00 1.25 0.00 0.00 42.46 39.72 2oc1 s ILE 72 CO 0.02 -0.45 1.49 -1.10 0.24 0.00 0.00 174.94 175.14 2oc1 s GLN 73 N -3.83 4.11 0.02 0.37 -0.21 -1.26 -4.55 119.66 114.31 2oc1 s GLN 73 Ca 0.45 2.57 0.08 0.00 0.02 0.00 0.00 55.36 58.49 2oc1 s GLN 73 Cb -0.10 -2.97 -0.23 0.00 1.00 0.00 0.00 33.01 30.70 2oc1 s GLN 73 CO 0.33 -0.54 0.90 0.52 -2.12 0.00 0.00 175.29 174.38 2oc1 h MET 74 N 3.16 0.04 -4.15 2.91 2.86 0.33 -3.47 114.93 116.61 2oc1 h MET 74 Ca -0.51 -0.06 -0.25 0.00 -2.06 0.00 0.00 59.70 56.82 2oc1 h MET 74 Cb 1.24 0.02 -0.25 0.00 0.06 0.00 0.00 31.60 32.67 2oc1 h MET 74 CO 0.65 0.77 -0.73 0.71 1.06 0.00 0.00 176.91 179.37 2oc1 s TYR 75 N -2.64 0.35 -0.05 -0.22 2.02 -0.25 -4.99 117.35 111.57 2oc1 s TYR 75 Ca -0.04 -0.26 -0.02 0.00 -0.37 0.00 0.00 57.07 56.39 2oc1 s TYR 75 Cb 0.09 -0.22 0.04 0.00 -0.40 0.00 0.00 41.96 41.46 2oc1 s TYR 75 CO 0.83 -0.06 0.09 0.99 -1.57 0.00 0.00 175.55 175.82 2oc1 s THR 76 N -0.68 -0.12 -0.45 -0.71 2.01 -1.26 -1.08 115.64 113.35 2oc1 s THR 76 Ca -0.05 0.31 0.04 0.00 0.31 0.00 0.00 61.69 62.30 2oc1 s THR 76 Cb -0.05 -0.18 0.17 0.00 0.01 0.00 0.00 72.50 72.45 2oc1 s THR 76 CO -0.00 0.13 0.36 0.21 -0.69 0.00 0.00 174.62 174.63 2oc1 s ASN 77 N 1.72 1.94 0.41 3.53 3.84 0.35 -4.96 114.94 121.76 2oc1 s ASN 77 Ca -0.02 -3.15 0.14 0.00 0.21 0.00 0.00 52.86 50.04 2oc1 s ASN 77 Cb -0.12 -0.60 1.00 0.00 -0.55 0.00 0.00 41.25 40.98 2oc1 s ASN 77 CO -0.04 -0.16 1.90 0.58 -2.79 0.00 0.00 177.10 176.59 2oc1 h VAL 78 N 4.61 0.79 -0.58 -5.21 2.07 -1.95 0.17 116.25 116.16 2oc1 h VAL 78 Ca 0.24 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.57 2oc1 h VAL 78 Cb 0.89 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 2oc1 h VAL 78 CO 0.42 0.09 0.22 -0.78 0.02 0.00 0.00 177.57 177.54 2oc1 h ASP 79 N 0.47 0.80 0.03 0.57 3.58 -1.93 -2.85 116.42 117.10 2oc1 h ASP 79 Ca 0.40 -0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.67 2oc1 h ASP 79 Cb 0.86 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.70 2oc1 h ASP 79 CO -0.14 0.76 -0.11 0.00 -2.88 0.00 0.00 179.24 176.87 2oc1 n GLN 80 N -4.48 1.64 -2.27 0.28 6.02 -0.40 -4.92 117.38 113.25 2oc1 n GLN 80 Ca 0.03 -1.15 -0.14 0.00 -0.01 0.00 0.00 57.00 55.73 2oc1 n GLN 80 Cb 0.17 -1.48 -0.01 0.00 1.02 0.00 0.00 30.24 29.94 2oc1 n GLN 80 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2oc1 n ASP 81 N 0.32 -4.42 -4.21 1.08 2.03 0.48 -4.96 116.55 106.86 2oc1 n ASP 81 Ca 0.15 -0.01 -0.33 0.00 0.52 0.00 0.00 54.79 55.12 2oc1 n ASP 81 Cb 0.44 -3.57 -0.16 0.00 -0.72 0.00 0.00 41.12 37.11 2oc1 n ASP 81 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2oc1 s LEU 82 N -4.16 2.31 0.03 -2.67 2.96 -0.49 -0.37 118.68 116.30 2oc1 s LEU 82 Ca 0.00 -0.54 0.03 0.00 -0.22 0.00 0.00 54.13 53.40 2oc1 s LEU 82 Cb 0.00 -1.52 -0.02 0.00 0.50 0.00 0.00 46.19 45.16 2oc1 s LEU 82 CO 0.00 0.07 -0.10 0.68 -1.32 0.00 0.00 176.35 175.68 2oc1 s VAL 83 N 0.89 0.74 -0.10 1.68 -7.23 -0.82 0.13 120.40 115.70 2oc1 s VAL 83 Ca -0.04 -0.83 -0.06 0.00 -1.81 0.00 0.00 61.98 59.23 2oc1 s VAL 83 Cb -0.15 -0.70 0.04 0.00 0.56 0.00 0.00 36.38 36.12 2oc1 s VAL 83 CO -0.02 -0.10 0.24 -0.83 -0.31 0.00 0.00 175.10 174.08 2oc1 s GLY 84 N -1.03 -0.16 0.50 2.32 0.00 -0.24 -1.22 107.32 107.48 2oc1 s GLY 84 Ca -0.02 0.88 0.06 0.00 0.00 0.00 0.00 44.72 45.64 2oc1 s GLY 84 CO 0.01 1.01 0.34 -0.98 0.00 0.00 0.00 173.10 173.47 2oc1 s TRP 85 N 0.85 2.01 0.37 1.90 0.51 -0.67 0.98 118.94 124.89 2oc1 s TRP 85 Ca -0.06 -0.74 -0.26 0.00 -2.12 0.00 0.00 56.10 52.92 2oc1 s TRP 85 Cb -0.07 -1.95 -0.09 0.00 -0.81 0.00 0.00 33.47 30.55 2oc1 s TRP 85 CO -0.05 -0.25 1.12 -1.25 -0.51 0.00 0.00 176.95 176.01 2oc1 s PRO 86 N -4.16 4.25 0.05 4.98 0.04 -1.26 -1.00 135.00 137.90 2oc1 s PRO 86 Ca 0.36 1.75 -0.36 0.00 0.04 0.00 0.00 61.00 62.79 2oc1 s PRO 86 Cb -0.01 -2.79 -0.16 0.00 0.04 0.00 0.00 34.50 31.58 2oc1 s PRO 86 CO 0.22 -0.12 1.47 0.00 0.04 0.00 0.00 177.00 178.60 2oc1 n ALA 87 N 0.36 -0.28 -1.35 8.56 0.00 -0.53 -4.48 120.51 122.79 2oc1 n ALA 87 Ca 0.03 0.48 -0.20 0.00 0.00 0.00 0.00 53.44 53.74 2oc1 n ALA 87 Cb 0.47 -2.17 0.23 0.00 0.00 0.00 0.00 19.45 17.98 2oc1 n ALA 87 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2oc1 n PRO 88 N 3.25 -2.52 -2.64 0.00 -0.04 -1.26 -4.95 135.00 126.84 2oc1 n PRO 88 Ca 0.19 -1.85 -0.35 0.00 -0.04 0.00 0.00 63.50 61.45 2oc1 n PRO 88 Cb 0.21 -1.54 -0.05 0.00 -0.04 0.00 0.00 33.50 32.08 2oc1 n PRO 88 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2oc1 s GLN 89 N -5.62 4.16 -0.64 0.54 -0.21 -1.26 -3.61 119.66 113.03 2oc1 s GLN 89 Ca 0.72 1.36 -0.01 0.00 0.02 0.00 0.00 55.36 57.46 2oc1 s GLN 89 Cb -0.05 -2.40 0.00 0.00 1.00 0.00 0.00 33.01 31.56 2oc1 s GLN 89 CO 0.54 -0.12 0.08 0.41 -2.12 0.00 0.00 175.29 174.08 2oc1 n GLY 90 N 0.03 0.11 3.25 3.09 0.00 -1.26 -5.02 105.19 105.39 2oc1 n GLY 90 Ca 0.06 -0.52 -0.16 0.00 0.00 0.00 0.00 46.02 45.40 2oc1 n GLY 90 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2oc1 s SER 91 N -2.73 1.95 -0.04 1.61 1.04 -1.24 -2.13 113.70 112.16 2oc1 s SER 91 Ca 0.04 -0.92 -0.05 0.00 0.48 0.00 0.00 55.95 55.50 2oc1 s SER 91 Cb -0.02 -0.05 0.01 0.00 0.10 0.00 0.00 66.02 66.06 2oc1 s SER 91 CO 0.05 -0.23 0.14 0.00 0.98 0.00 0.00 173.24 174.18 2oc1 s ARG 92 N -3.24 0.24 0.35 4.02 1.70 -0.35 -4.74 118.95 116.92 2oc1 s ARG 92 Ca 0.14 0.06 -0.19 0.00 -0.47 0.00 0.00 55.73 55.27 2oc1 s ARG 92 Cb -0.01 0.11 -0.10 0.00 -0.57 0.00 0.00 34.95 34.38 2oc1 s ARG 92 CO 0.02 -0.04 0.82 -1.12 -1.08 0.00 0.00 175.30 173.91 2oc1 s SER 93 N -0.25 6.91 0.26 -2.89 0.01 -1.26 -3.85 113.70 112.62 2oc1 s SER 93 Ca -0.03 1.48 -0.11 0.00 1.31 0.00 0.00 55.95 58.59 2oc1 s SER 93 Cb -0.03 -2.45 -0.08 0.00 0.21 0.00 0.00 66.02 63.67 2oc1 s SER 93 CO 0.00 -0.22 0.61 -0.76 0.41 0.00 0.00 173.24 173.29 2oc1 s LEU 94 N -2.84 4.13 -0.11 2.44 1.43 0.72 -4.89 118.68 119.56 2oc1 s LEU 94 Ca 0.55 1.04 -0.10 0.00 -1.03 0.00 0.00 54.13 54.58 2oc1 s LEU 94 Cb -0.11 -3.81 -0.05 0.00 0.03 0.00 0.00 46.19 42.25 2oc1 s LEU 94 CO 0.17 -0.12 0.23 -0.89 0.23 0.00 0.00 176.35 175.97 2oc1 s THR 95 N -1.88 5.35 0.70 5.49 2.01 -1.26 -3.51 115.64 122.54 2oc1 s THR 95 Ca 0.50 0.41 -0.16 0.00 0.31 0.00 0.00 61.69 62.75 2oc1 s THR 95 Cb -0.11 -3.52 0.02 0.00 0.01 0.00 0.00 72.50 68.90 2oc1 s THR 95 CO 0.20 0.55 1.24 -2.84 -0.69 0.00 0.00 174.62 173.08 2oc1 s PRO 96 N -0.65 2.29 0.19 4.92 0.02 -1.26 -0.13 135.00 140.37 2oc1 s PRO 96 Ca 0.17 1.88 -0.30 0.00 0.02 0.00 0.00 61.00 62.77 2oc1 s PRO 96 Cb -0.13 -1.84 -0.08 0.00 0.02 0.00 0.00 34.50 32.47 2oc1 s PRO 96 CO 0.06 -1.75 0.99 0.00 -0.33 0.00 0.00 177.00 175.96 2oc1 n THR 98 N 2.09 0.73 0.83 0.00 -2.24 -1.26 -4.76 114.28 109.66 2oc1 n THR 98 Ca 0.00 -0.77 0.09 0.00 -2.27 0.00 0.00 64.05 61.11 2oc1 n THR 98 Cb 0.47 0.58 0.01 0.00 -2.10 0.00 0.00 70.33 69.29 2oc1 n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2oc1 n GLY 100 N 1.23 1.54 3.01 0.00 0.00 -1.26 -4.96 105.19 104.76 2oc1 n GLY 100 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 2oc1 n GLY 100 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2oc1 n SER 101 N 0.00 -1.50 -0.86 1.61 2.88 -1.26 -4.88 113.62 109.61 2oc1 n SER 101 Ca 0.00 0.93 0.12 0.00 -1.33 0.00 0.00 58.87 58.59 2oc1 n SER 101 Cb 0.00 -0.83 0.08 0.00 -0.75 0.00 0.00 64.21 62.70 2oc1 n SER 101 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2oc1 n SER 102 N 1.87 2.79 -4.39 -3.46 7.64 -1.26 -4.73 113.62 112.08 2oc1 n SER 102 Ca 0.14 -1.90 -0.45 0.00 1.01 0.00 0.00 58.87 57.68 2oc1 n SER 102 Cb 0.26 0.10 -0.02 0.00 -1.01 0.00 0.00 64.21 63.54 2oc1 n SER 102 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2oc1 s ASP 103 N -2.09 6.73 0.55 6.43 1.01 -1.26 -0.57 116.67 127.47 2oc1 s ASP 103 Ca 0.26 -2.42 0.01 0.00 0.71 0.00 0.00 52.55 51.10 2oc1 s ASP 103 Cb 0.19 -2.30 0.03 0.00 1.01 0.00 0.00 42.92 41.85 2oc1 s ASP 103 CO 0.35 -0.80 0.78 -0.76 0.21 0.00 0.00 175.17 174.95 2oc1 s LEU 104 N 1.34 3.30 -0.12 1.23 1.02 0.42 -3.55 118.68 122.32 2oc1 s LEU 104 Ca 0.26 0.07 -0.05 0.00 0.02 0.00 0.00 54.13 54.43 2oc1 s LEU 104 Cb -0.07 -2.94 0.05 0.00 0.02 0.00 0.00 46.19 43.25 2oc1 s LEU 104 CO -0.09 -1.11 0.26 -0.31 0.02 0.00 0.00 176.35 175.12 2oc1 s TYR 105 N -2.77 -0.38 -0.15 0.29 2.02 0.13 -0.65 117.35 115.85 2oc1 s TYR 105 Ca 0.56 0.88 -0.10 0.00 -0.37 0.00 0.00 57.07 58.04 2oc1 s TYR 105 Cb -0.10 0.03 -0.05 0.00 -0.40 0.00 0.00 41.96 41.44 2oc1 s TYR 105 CO 0.39 -0.28 0.20 -1.17 -1.57 0.00 0.00 175.55 173.11 2oc1 s LEU 106 N 1.69 4.30 -0.21 -1.29 2.96 0.97 -0.53 118.68 126.58 2oc1 s LEU 106 Ca -0.06 0.44 -0.07 0.00 -0.22 0.00 0.00 54.13 54.22 2oc1 s LEU 106 Cb -0.11 -2.19 -0.04 0.00 0.50 0.00 0.00 46.19 44.35 2oc1 s LEU 106 CO -0.09 0.25 0.07 -0.69 -1.32 0.00 0.00 176.35 174.57 2oc1 s VAL 107 N -0.22 4.62 0.72 1.68 1.01 -1.18 0.24 120.40 127.27 2oc1 s VAL 107 Ca 0.14 -0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 2oc1 s VAL 107 Cb -0.12 -3.11 0.11 0.00 0.00 0.00 0.00 36.38 33.26 2oc1 s VAL 107 CO 0.03 0.41 1.00 0.42 0.00 0.00 0.00 175.10 176.96 2oc1 s THR 108 N 0.81 2.22 -1.61 3.92 -4.23 0.40 -4.47 115.64 112.68 2oc1 s THR 108 Ca 0.03 -0.51 0.11 0.00 -1.18 0.00 0.00 61.69 60.15 2oc1 s THR 108 Cb -0.14 -2.71 0.22 0.00 1.34 0.00 0.00 72.50 71.22 2oc1 s THR 108 CO 0.02 0.00 1.18 -2.11 -0.54 0.00 0.00 174.62 173.18 2oc1 n ARG 109 N -2.87 0.21 -0.15 3.99 1.85 -1.26 -1.00 116.66 117.43 2oc1 n ARG 109 Ca 0.13 0.13 0.05 0.00 -1.00 0.00 0.00 57.85 57.16 2oc1 n ARG 109 Cb 0.60 -1.50 0.13 0.00 -1.05 0.00 0.00 32.46 30.64 2oc1 n ARG 109 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2oc1 n HIS 110 N -1.20 0.38 -1.07 2.89 8.25 -1.26 -4.96 115.22 118.26 2oc1 n HIS 110 Ca 0.06 -0.44 -0.02 0.00 -0.26 0.00 0.00 57.72 57.06 2oc1 n HIS 110 Cb 0.07 -0.02 -0.01 0.00 1.12 0.00 0.00 29.99 31.14 2oc1 n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2oc1 n ALA 111 N 0.47 -0.03 -1.77 -1.41 0.00 -0.18 -5.00 120.51 112.59 2oc1 n ALA 111 Ca 0.10 0.04 -0.38 0.00 0.00 0.00 0.00 53.44 53.20 2oc1 n ALA 111 Cb 0.40 -0.67 -0.05 0.00 0.00 0.00 0.00 19.45 19.12 2oc1 n ALA 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2oc1 s ASP 112 N -2.29 7.29 -0.13 0.00 1.01 -1.26 -4.76 116.67 116.52 2oc1 s ASP 112 Ca 0.00 1.99 -0.03 0.00 0.71 0.00 0.00 52.55 55.21 2oc1 s ASP 112 Cb 0.00 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.30 2oc1 s ASP 112 CO 0.00 -0.11 -0.02 -0.69 0.21 0.00 0.00 175.17 174.56 2oc1 s VAL 113 N -1.43 4.04 -0.15 -1.27 1.01 -1.26 -0.45 120.40 120.88 2oc1 s VAL 113 Ca 0.48 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.15 2oc1 s VAL 113 Cb -0.24 -2.75 0.03 0.00 0.00 0.00 0.00 36.38 33.43 2oc1 s VAL 113 CO 0.30 0.52 -0.12 -0.63 0.00 0.00 0.00 175.10 175.17 2oc1 s ILE 114 N -0.02 1.47 0.14 2.22 1.01 0.14 -4.92 121.20 121.24 2oc1 s ILE 114 Ca 0.02 -0.66 -0.31 0.00 0.00 0.00 0.00 60.65 59.70 2oc1 s ILE 114 Cb -0.13 -1.45 -0.08 0.00 0.01 0.00 0.00 42.46 40.81 2oc1 s ILE 114 CO 0.02 0.36 1.40 -2.84 0.00 0.00 0.00 174.94 173.88 2oc1 s PRO 115 N 1.51 4.32 -0.03 2.79 0.02 -1.26 -0.02 135.00 142.33 2oc1 s PRO 115 Ca 0.03 2.11 0.02 0.00 0.02 0.00 0.00 61.00 63.18 2oc1 s PRO 115 Cb -0.14 -3.23 0.01 0.00 0.02 0.00 0.00 34.50 31.17 2oc1 s PRO 115 CO -0.10 -0.43 -0.07 0.08 -0.33 0.00 0.00 177.00 176.15 2oc1 s VAL 116 N 0.93 0.68 -0.15 3.83 1.01 0.18 -1.32 120.40 125.55 2oc1 s VAL 116 Ca 0.64 -0.28 -0.15 0.00 0.00 0.00 0.00 61.98 62.19 2oc1 s VAL 116 Cb -0.38 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 2oc1 s VAL 116 CO 0.32 0.23 0.35 -0.13 0.00 0.00 0.00 175.10 175.86 2oc1 s ARG 117 N 0.38 4.28 -0.12 2.72 1.81 0.41 -0.43 118.95 128.00 2oc1 s ARG 117 Ca -0.06 0.20 -0.29 0.00 -1.72 0.00 0.00 55.73 53.86 2oc1 s ARG 117 Cb -0.10 -3.43 -0.03 0.00 -0.45 0.00 0.00 34.95 30.94 2oc1 s ARG 117 CO 0.00 0.20 1.34 0.50 -0.68 0.00 0.00 175.30 176.67 2oc1 s ARG 118 N 0.54 4.24 -0.15 3.54 3.52 0.27 0.27 118.95 131.19 2oc1 s ARG 118 Ca 0.19 1.78 -0.01 0.00 -0.13 0.00 0.00 55.73 57.57 2oc1 s ARG 118 Cb -0.14 -3.76 -0.23 0.00 -1.56 0.00 0.00 34.95 29.26 2oc1 s ARG 118 CO 0.06 -0.69 0.22 0.54 -0.81 0.00 0.00 175.30 174.62 2oc1 n ARG 119 N 6.42 0.71 -3.90 5.12 5.12 0.15 -4.91 116.66 125.38 2oc1 n ARG 119 Ca 0.14 0.22 -0.03 0.00 -1.93 0.00 0.00 57.85 56.25 2oc1 n ARG 119 Cb 0.45 -1.66 0.02 0.00 -1.16 0.00 0.00 32.46 30.11 2oc1 n ARG 119 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2oc1 s GLY 120 N -5.78 0.15 0.15 -0.13 0.00 -0.67 -4.97 107.32 96.07 2oc1 s GLY 120 Ca -0.23 -0.40 -0.03 0.00 0.00 0.00 0.00 44.72 44.06 2oc1 s GLY 120 CO 0.73 2.60 0.82 1.22 0.00 0.00 0.00 173.10 178.48 2oc1 n ASP 121 N -1.29 -0.16 -0.21 1.64 9.92 -1.26 -1.26 116.55 123.94 2oc1 n ASP 121 Ca -0.03 0.91 0.07 0.00 -0.53 0.00 0.00 54.79 55.21 2oc1 n ASP 121 Cb 0.59 -0.29 0.10 0.00 -0.64 0.00 0.00 41.12 40.88 2oc1 n ASP 121 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2oc1 n SER 122 N -4.81 1.65 -4.03 -2.24 3.41 -1.26 -4.40 113.62 101.93 2oc1 n SER 122 Ca 0.09 -2.77 -0.15 0.00 -0.26 0.00 0.00 58.87 55.78 2oc1 n SER 122 Cb 0.30 -0.36 -0.13 0.00 -0.26 0.00 0.00 64.21 63.76 2oc1 n SER 122 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2oc1 s ARG 123 N -2.02 0.54 -0.08 4.33 6.06 -0.39 -0.67 118.95 126.72 2oc1 s ARG 123 Ca 0.23 -0.54 -0.21 0.00 -2.50 0.00 0.00 55.73 52.71 2oc1 s ARG 123 Cb 0.20 -0.43 0.05 0.00 0.06 0.00 0.00 34.95 34.83 2oc1 s ARG 123 CO 0.02 0.10 0.48 0.20 -2.50 0.00 0.00 175.30 173.60 2oc1 s GLY 124 N -0.95 -0.35 -0.15 8.12 0.00 -0.98 -0.67 107.32 112.34 2oc1 s GLY 124 Ca -0.04 0.98 -0.07 0.00 0.00 0.00 0.00 44.72 45.59 2oc1 s GLY 124 CO 0.00 0.73 0.08 -1.35 0.00 0.00 0.00 173.10 172.56 2oc1 s SER 125 N -0.78 5.85 0.34 1.64 1.04 0.14 -0.93 113.70 121.01 2oc1 s SER 125 Ca -0.08 0.22 -0.29 0.00 0.48 0.00 0.00 55.95 56.28 2oc1 s SER 125 Cb -0.03 -1.93 -0.10 0.00 0.10 0.00 0.00 66.02 64.05 2oc1 s SER 125 CO 0.05 0.27 1.35 -0.76 0.98 0.00 0.00 173.24 175.13 2oc1 s LEU 126 N -0.20 4.40 0.49 2.42 1.43 -0.12 -0.44 118.68 126.65 2oc1 s LEU 126 Ca 0.09 2.78 0.28 0.00 -1.03 0.00 0.00 54.13 56.24 2oc1 s LEU 126 Cb -0.12 -3.65 0.90 0.00 0.03 0.00 0.00 46.19 43.35 2oc1 s LEU 126 CO 0.01 -0.62 1.81 -0.07 0.23 0.00 0.00 176.35 177.72 2oc1 h LEU 127 N 3.29 0.00 -6.57 1.79 3.38 -1.53 -3.38 115.31 112.29 2oc1 h LEU 127 Ca -0.49 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.06 2oc1 h LEU 127 Cb 1.23 0.00 -0.35 0.00 0.09 0.00 0.00 40.66 41.63 2oc1 h LEU 127 CO 0.65 0.05 -0.70 -0.44 0.09 0.00 0.00 178.44 178.09 2oc1 s SER 128 N -5.97 2.26 0.44 -0.43 0.01 -1.26 -5.13 113.70 103.62 2oc1 s SER 128 Ca 0.03 -1.16 -0.23 0.00 1.31 0.00 0.00 55.95 55.89 2oc1 s SER 128 Cb 0.08 0.18 -0.10 0.00 0.21 0.00 0.00 66.02 66.39 2oc1 s SER 128 CO 0.61 -0.38 0.96 -2.65 0.41 0.00 0.00 173.24 172.19 2oc1 n PRO 129 N 5.02 1.23 -4.21 12.44 -0.02 -1.26 -5.02 135.00 143.18 2oc1 n PRO 129 Ca 0.00 0.44 -0.14 0.00 -2.02 0.00 0.00 63.50 61.78 2oc1 n PRO 129 Cb 0.44 -2.00 -0.10 0.00 -0.02 0.00 0.00 33.50 31.81 2oc1 n PRO 129 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2oc1 s ARG 130 N -2.04 0.95 0.44 -0.52 1.81 -0.27 -4.93 118.95 114.38 2oc1 s ARG 130 Ca 0.64 -1.31 -0.25 0.00 -1.72 0.00 0.00 55.73 53.10 2oc1 s ARG 130 Cb -0.55 -0.57 -0.08 0.00 -0.45 0.00 0.00 34.95 33.30 2oc1 s ARG 130 CO 0.56 0.08 1.32 -1.25 -0.68 0.00 0.00 175.30 175.33 2oc1 s PRO 131 N -3.29 3.79 0.50 3.54 0.04 -1.26 0.13 135.00 138.45 2oc1 s PRO 131 Ca 0.11 2.19 0.30 0.00 0.04 0.00 0.00 61.00 63.63 2oc1 s PRO 131 Cb 0.00 -2.65 1.40 0.00 0.04 0.00 0.00 34.50 33.29 2oc1 s PRO 131 CO 0.00 -0.65 1.82 0.97 0.04 0.00 0.00 177.00 179.19 2oc1 h ILE 132 N 2.26 0.49 -0.76 0.56 6.09 -1.26 0.97 117.51 125.86 2oc1 h ILE 132 Ca -0.50 -0.04 0.19 0.00 -1.37 0.00 0.00 64.86 63.14 2oc1 h ILE 132 Cb 1.26 0.36 -0.04 0.00 0.47 0.00 0.00 36.82 38.87 2oc1 h ILE 132 CO 0.61 0.02 0.53 0.77 -3.07 0.00 0.00 178.15 177.01 2oc1 h SER 133 N 0.12 0.19 0.67 2.19 4.64 -1.89 0.33 113.55 119.79 2oc1 h SER 133 Ca 0.53 0.02 -0.15 0.00 -0.47 0.00 0.00 61.79 61.72 2oc1 h SER 133 Cb 1.86 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 63.91 2oc1 h SER 133 CO -0.09 0.09 -0.69 0.22 -0.87 0.00 0.00 176.83 175.49 2oc1 h TYR 134 N 0.19 0.02 -0.02 4.77 3.20 -1.14 -3.16 116.97 120.84 2oc1 h TYR 134 Ca 0.37 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.23 2oc1 h TYR 134 Cb 1.19 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.45 2oc1 h TYR 134 CO -0.00 0.70 -0.19 1.28 -1.64 0.00 0.00 178.16 178.30 2oc1 n LEU 135 N -3.73 2.03 -4.77 2.82 4.32 0.97 -4.92 117.00 113.72 2oc1 n LEU 135 Ca -0.01 -0.69 -0.39 0.00 -0.02 0.00 0.00 56.01 54.90 2oc1 n LEU 135 Cb 0.67 -0.02 -0.01 0.00 -1.62 0.00 0.00 43.42 42.45 2oc1 n LEU 135 CO 0.43 0.35 0.95 -0.54 -1.22 0.00 0.00 177.39 177.37 2oc1 s LYS 136 N -2.24 3.97 0.00 3.23 1.02 -0.14 -3.11 119.74 122.46 2oc1 s LYS 136 Ca 0.26 2.14 0.00 0.00 0.02 0.00 0.00 55.97 58.39 2oc1 s LYS 136 Cb 0.19 -2.75 0.00 0.00 -0.52 0.00 0.00 37.83 34.76 2oc1 s LYS 136 CO 0.43 -0.49 0.00 0.41 -0.92 0.00 0.00 175.35 174.78 2oc1 n GLY 137 N 0.67 0.53 0.66 -3.33 0.00 -1.26 -4.74 105.19 97.72 2oc1 n GLY 137 Ca 0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.17 2oc1 n GLY 137 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2oc1 n SER 138 N -0.12 2.35 -4.71 1.61 7.64 -1.18 -3.51 113.62 115.70 2oc1 n SER 138 Ca 0.00 -1.68 -0.43 0.00 1.01 0.00 0.00 58.87 57.77 2oc1 n SER 138 Cb 0.06 0.28 -0.03 0.00 -1.01 0.00 0.00 64.21 63.52 2oc1 n SER 138 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2oc1 n SER 139 N 0.47 3.52 0.00 6.43 7.64 -1.26 -0.58 113.62 129.83 2oc1 n SER 139 Ca 0.11 1.11 0.00 0.00 1.01 0.00 0.00 58.87 61.10 2oc1 n SER 139 Cb 0.51 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.19 2oc1 n SER 139 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2oc1 n GLY 140 N 2.93 2.93 3.63 0.23 0.00 0.40 -1.16 105.19 114.16 2oc1 n GLY 140 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 2oc1 n GLY 140 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oc1 n GLY 141 N -1.10 -0.74 3.84 -0.02 0.00 0.25 -3.54 105.19 103.89 2oc1 n GLY 141 Ca 0.00 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 44.88 2oc1 n GLY 141 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2oc1 s PRO 142 N -4.59 4.03 -0.44 1.61 0.04 -1.26 -0.92 135.00 133.47 2oc1 s PRO 142 Ca 0.67 0.81 0.01 0.00 0.04 0.00 0.00 61.00 62.53 2oc1 s PRO 142 Cb -0.24 -2.31 0.12 0.00 0.04 0.00 0.00 34.50 32.11 2oc1 s PRO 142 CO 0.60 0.02 0.20 -1.17 0.04 0.00 0.00 177.00 176.69 2oc1 s LEU 143 N -3.31 4.90 0.37 -3.56 1.98 0.08 -3.13 118.68 116.00 2oc1 s LEU 143 Ca 0.57 -2.42 -0.12 0.00 -2.89 0.00 0.00 54.13 49.27 2oc1 s LEU 143 Cb -0.10 -1.73 -0.07 0.00 0.66 0.00 0.00 46.19 44.95 2oc1 s LEU 143 CO 0.20 -0.40 0.75 -0.76 -1.89 0.00 0.00 176.35 174.25 2oc1 s LEU 144 N 0.56 3.93 0.52 -0.68 1.43 0.31 0.12 118.68 124.86 2oc1 s LEU 144 Ca 0.12 1.17 0.09 0.00 -1.03 0.00 0.00 54.13 54.48 2oc1 s LEU 144 Cb -0.22 -4.02 0.06 0.00 0.03 0.00 0.00 46.19 42.04 2oc1 s LEU 144 CO -0.04 -0.31 0.72 0.00 0.23 0.00 0.00 176.35 176.94 2oc1 h PRO 146 N 0.33 0.00 -0.69 0.00 0.11 -1.90 0.18 132.00 130.04 2oc1 h PRO 146 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 2oc1 h PRO 146 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2oc1 h PRO 146 CO 0.42 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.21 2oc1 n ALA 147 N -2.05 2.45 -1.09 -0.75 0.00 -1.26 -4.92 120.51 112.89 2oc1 n ALA 147 Ca 0.07 -1.23 -0.03 0.00 0.00 0.00 0.00 53.44 52.25 2oc1 n ALA 147 Cb 0.85 -0.95 -0.01 0.00 0.00 0.00 0.00 19.45 19.33 2oc1 n ALA 147 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oc1 n GLY 148 N 1.56 0.56 3.84 0.00 0.00 0.64 -5.00 105.19 106.79 2oc1 n GLY 148 Ca 0.23 -0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 2oc1 n GLY 148 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2oc1 s HIS 149 N -1.86 3.70 0.19 1.61 3.76 -1.26 -4.76 115.29 116.68 2oc1 s HIS 149 Ca 0.00 1.06 -0.31 0.00 -0.15 0.00 0.00 55.06 55.65 2oc1 s HIS 149 Cb 0.00 -2.35 -0.10 0.00 1.11 0.00 0.00 32.58 31.24 2oc1 s HIS 149 CO 0.00 0.56 1.55 0.00 -0.85 0.00 0.00 174.74 176.01 2oc1 s ALA 150 N -1.22 3.76 -0.13 -1.40 0.00 0.82 -1.31 121.76 122.28 2oc1 s ALA 150 Ca 0.30 1.38 0.05 0.00 0.00 0.00 0.00 51.96 53.69 2oc1 s ALA 150 Cb -0.17 -3.62 -0.11 0.00 0.00 0.00 0.00 23.12 19.23 2oc1 s ALA 150 CO 0.17 -0.79 -0.06 0.28 0.00 0.00 0.00 175.76 175.36 2oc1 n VAL 151 N 3.59 0.77 -3.89 0.00 0.31 0.12 0.60 118.33 119.83 2oc1 n VAL 151 Ca 0.12 -0.37 -0.00 0.00 -0.01 0.00 0.00 64.34 64.08 2oc1 n VAL 151 Cb 0.39 -0.88 0.01 0.00 -0.91 0.00 0.00 33.84 32.45 2oc1 n VAL 151 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2oc1 s GLY 152 N -4.93 -0.06 -0.15 2.92 0.00 -1.12 -0.71 107.32 103.27 2oc1 s GLY 152 Ca -0.13 -0.05 -0.02 0.00 0.00 0.00 0.00 44.72 44.51 2oc1 s GLY 152 CO 0.37 3.30 -0.09 1.08 0.00 0.00 0.00 173.10 177.76 2oc1 s LEU 153 N -3.49 2.94 -0.23 0.66 1.43 -0.08 -0.74 118.68 119.16 2oc1 s LEU 153 Ca 0.23 -0.26 -0.31 0.00 -1.03 0.00 0.00 54.13 52.76 2oc1 s LEU 153 Cb -0.01 -1.69 -0.08 0.00 0.03 0.00 0.00 46.19 44.44 2oc1 s LEU 153 CO 0.02 0.15 2.15 0.33 0.23 0.00 0.00 176.35 179.23 2oc1 n PHE 154 N 3.65 1.92 -0.08 0.29 7.35 -0.09 -1.09 117.46 129.42 2oc1 n PHE 154 Ca -0.18 0.01 -0.11 0.00 -0.76 0.00 0.00 57.45 56.41 2oc1 n PHE 154 Cb 0.52 -2.66 -0.07 0.00 0.35 0.00 0.00 39.48 37.63 2oc1 n PHE 154 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 2oc1 h ARG 155 N 13.14 0.00 -1.71 -4.13 2.43 -1.31 0.11 114.38 122.91 2oc1 h ARG 155 Ca -0.38 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 58.83 2oc1 h ARG 155 Cb 1.27 0.00 -0.22 0.00 -0.42 0.00 0.00 29.97 30.61 2oc1 h ARG 155 CO 0.98 0.54 0.44 0.00 -1.51 0.00 0.00 179.97 180.42 2oc1 s ALA 156 N -2.47 -1.88 0.26 2.80 0.00 -1.05 -4.76 121.76 114.67 2oc1 s ALA 156 Ca -0.17 1.49 -0.24 0.00 0.00 0.00 0.00 51.96 53.04 2oc1 s ALA 156 Cb 0.02 -0.47 -0.09 0.00 0.00 0.00 0.00 23.12 22.58 2oc1 s ALA 156 CO 0.40 -0.34 0.84 0.00 0.00 0.00 0.00 175.76 176.66 2oc1 s ALA 157 N -1.20 3.32 -0.41 0.00 0.00 -1.26 0.37 121.76 122.58 2oc1 s ALA 157 Ca -0.04 0.37 -0.07 0.00 0.00 0.00 0.00 51.96 52.22 2oc1 s ALA 157 Cb -0.00 -3.01 0.09 0.00 0.00 0.00 0.00 23.12 20.19 2oc1 s ALA 157 CO 0.04 0.25 0.23 0.08 0.00 0.00 0.00 175.76 176.35 2oc1 s VAL 158 N -1.52 3.84 0.19 0.00 1.01 0.29 -4.83 120.40 119.38 2oc1 s VAL 158 Ca 0.46 -1.62 0.10 0.00 0.00 0.00 0.00 61.98 60.92 2oc1 s VAL 158 Cb -0.18 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 2oc1 s VAL 158 CO 0.23 -0.55 -0.21 0.00 0.00 0.00 0.00 175.10 174.57 2oc1 s THR 160 N -1.90 2.05 -1.13 0.00 2.01 -0.44 -4.74 115.64 111.49 2oc1 s THR 160 Ca 0.19 -1.33 -0.06 0.00 0.31 0.00 0.00 61.69 60.81 2oc1 s THR 160 Cb -0.07 -2.06 0.01 0.00 0.01 0.00 0.00 72.50 70.39 2oc1 s THR 160 CO 0.09 0.18 0.98 0.54 -0.69 0.00 0.00 174.62 175.72 2oc1 n ARG 161 N 4.53 -6.59 -0.94 4.92 1.74 -1.26 -2.37 116.66 116.70 2oc1 n ARG 161 Ca -0.16 0.71 0.00 0.00 -0.77 0.00 0.00 57.85 57.63 2oc1 n ARG 161 Cb 0.45 -5.39 0.00 0.00 -1.02 0.00 0.00 32.46 26.50 2oc1 n ARG 161 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2oc1 n GLY 162 N -1.65 0.99 3.30 -0.13 0.00 -1.26 -4.99 105.19 101.44 2oc1 n GLY 162 Ca -0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 2oc1 n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oc1 s VAL 163 N -3.77 3.66 -0.39 1.61 1.01 -1.00 -0.74 120.40 120.78 2oc1 s VAL 163 Ca 0.00 -0.86 -0.28 0.00 0.00 0.00 0.00 61.98 60.84 2oc1 s VAL 163 Cb 0.00 -2.92 -0.00 0.00 0.00 0.00 0.00 36.38 33.45 2oc1 s VAL 163 CO 0.00 0.06 1.61 0.00 0.00 0.00 0.00 175.10 176.76 2oc1 s ALA 164 N 1.44 2.91 -0.30 5.51 0.00 0.34 -1.33 121.76 130.33 2oc1 s ALA 164 Ca 0.01 -0.02 0.20 0.00 0.00 0.00 0.00 51.96 52.16 2oc1 s ALA 164 Cb -0.18 -4.00 -0.29 0.00 0.00 0.00 0.00 23.12 18.66 2oc1 s ALA 164 CO 0.01 -2.60 0.57 1.63 0.00 0.00 0.00 175.76 175.37 2oc1 n LYS 165 N 8.32 0.56 -3.88 0.00 5.02 -1.16 -1.11 118.16 125.91 2oc1 n LYS 165 Ca 0.19 -0.13 -0.08 0.00 -2.02 0.00 0.00 58.31 56.27 2oc1 n LYS 165 Cb 0.48 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 34.00 2oc1 n LYS 165 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2oc1 s ALA 166 N -3.27 -0.84 0.06 7.82 0.00 -0.98 -0.95 121.76 123.60 2oc1 s ALA 166 Ca -0.03 -0.57 0.02 0.00 0.00 0.00 0.00 51.96 51.38 2oc1 s ALA 166 Cb 0.14 0.85 -0.03 0.00 0.00 0.00 0.00 23.12 24.08 2oc1 s ALA 166 CO 0.85 -0.99 -0.08 0.14 0.00 0.00 0.00 175.76 175.68 2oc1 s VAL 167 N -3.47 0.63 -0.08 0.00 -7.23 -0.11 -0.55 120.40 109.59 2oc1 s VAL 167 Ca 0.15 -1.40 -0.03 0.00 -1.81 0.00 0.00 61.98 58.88 2oc1 s VAL 167 Cb -0.05 -1.02 -0.04 0.00 0.56 0.00 0.00 36.38 35.83 2oc1 s VAL 167 CO 0.09 -0.55 0.06 -0.62 -0.31 0.00 0.00 175.10 173.77 2oc1 s ASP 168 N -2.12 5.70 0.10 4.85 3.68 0.16 -2.31 116.67 126.73 2oc1 s ASP 168 Ca -0.02 0.25 -0.12 0.00 2.13 0.00 0.00 52.55 54.79 2oc1 s ASP 168 Cb -0.04 -1.70 0.02 0.00 -1.45 0.00 0.00 42.92 39.74 2oc1 s ASP 168 CO -0.01 0.37 0.29 0.72 0.13 0.00 0.00 175.17 176.66 2oc1 s PHE 169 N -1.00 -0.02 -0.47 -5.34 -0.12 0.15 -0.82 117.98 110.37 2oc1 s PHE 169 Ca 0.16 -0.35 -0.16 0.00 -0.05 0.00 0.00 56.93 56.52 2oc1 s PHE 169 Cb -0.12 0.09 0.06 0.00 -0.63 0.00 0.00 43.02 42.42 2oc1 s PHE 169 CO 0.05 -0.61 0.42 0.42 -0.05 0.00 0.00 175.22 175.45 2oc1 s ILE 170 N -3.78 5.19 0.44 -4.49 1.01 -0.25 -4.42 121.20 114.90 2oc1 s ILE 170 Ca 0.04 -0.94 -0.25 0.00 0.00 0.00 0.00 60.65 59.50 2oc1 s ILE 170 Cb 0.03 -4.13 -0.09 0.00 0.01 0.00 0.00 42.46 38.28 2oc1 s ILE 170 CO -0.11 -0.58 1.24 -0.81 0.00 0.00 0.00 174.94 174.68 2oc1 n PRO 171 N 5.34 1.82 -0.34 2.79 -0.04 -1.26 -0.90 135.00 142.40 2oc1 n PRO 171 Ca -0.11 0.65 0.26 0.00 -0.04 0.00 0.00 63.50 64.26 2oc1 n PRO 171 Cb 0.44 -2.36 0.55 0.00 -0.04 0.00 0.00 33.50 32.09 2oc1 n PRO 171 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 2oc1 h VAL 172 N 1.91 0.46 -0.85 0.52 -1.51 -1.23 0.13 116.25 115.68 2oc1 h VAL 172 Ca -0.48 -0.11 0.11 0.00 -1.23 0.00 0.00 66.70 65.00 2oc1 h VAL 172 Cb 1.30 0.12 -0.08 0.00 -2.13 0.00 0.00 31.29 30.50 2oc1 h VAL 172 CO 0.59 0.06 0.48 -0.33 -1.23 0.00 0.00 177.57 177.14 2oc1 h GLU 173 N 0.31 0.75 -0.86 5.19 3.07 -1.89 0.21 114.58 121.35 2oc1 h GLU 173 Ca 0.62 -0.04 0.06 0.00 -0.50 0.00 0.00 59.36 59.50 2oc1 h GLU 173 Cb 1.73 -0.17 -0.06 0.00 -0.84 0.00 0.00 28.75 29.41 2oc1 h GLU 173 CO -0.28 0.49 0.56 -0.91 -1.40 0.00 0.00 179.01 177.47 2oc1 h ASN 174 N 0.77 0.85 -0.08 1.42 -0.26 -1.30 0.51 115.58 117.49 2oc1 h ASN 174 Ca 0.43 0.01 -0.04 0.00 -0.56 0.00 0.00 56.30 56.13 2oc1 h ASN 174 Cb 0.46 -0.18 -0.00 0.00 -1.06 0.00 0.00 38.32 37.54 2oc1 h ASN 174 CO -0.28 0.54 -0.11 -0.07 -1.06 0.00 0.00 177.43 176.46 2oc1 h LEU 175 N 0.96 0.23 -1.92 1.61 4.07 -0.94 -0.35 115.31 118.97 2oc1 h LEU 175 Ca 0.37 -0.52 -0.01 0.00 0.08 0.00 0.00 57.88 57.80 2oc1 h LEU 175 Cb 0.22 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 41.89 2oc1 h LEU 175 CO -0.14 0.70 -0.06 -0.33 -1.08 0.00 0.00 178.44 177.54 2oc1 h GLU 176 N -0.24 0.00 0.16 1.13 5.08 0.36 -1.69 114.58 119.38 2oc1 h GLU 176 Ca 0.01 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.08 2oc1 h GLU 176 Cb 0.65 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.93 2oc1 h GLU 176 CO 0.03 0.06 -1.22 1.15 -1.00 0.00 0.00 179.01 178.02 2oc1 h THR 177 N 0.00 1.32 0.00 1.13 2.02 0.07 -3.23 112.91 114.21 2oc1 h THR 177 Ca -0.00 -2.51 0.00 0.00 0.77 0.00 0.00 66.41 64.67 2oc1 h THR 177 Cb 0.11 2.85 0.00 0.00 -1.74 0.00 0.00 68.15 69.37 2oc1 h THR 177 CO 0.01 0.75 0.00 0.74 0.37 0.00 0.00 175.52 177.39 2oc1 h THR 178 N 0.14 0.00 -0.01 3.16 2.02 -0.15 -3.51 112.91 114.55 2oc1 h THR 178 Ca -0.20 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 66.81 2oc1 h THR 178 Cb 1.92 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 69.43 2oc1 h THR 178 CO 0.23 0.00 0.00 0.23 0.37 0.00 0.00 175.52 176.35