#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gct s VAL 17 N 0.00 5.00 -1.19 1.39 1.01 -1.23 -3.92 120.40 121.47 3gct s VAL 17 Ca 0.00 1.43 -0.04 0.00 0.00 0.00 0.00 61.98 63.37 3gct s VAL 17 Cb 0.00 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.34 3gct s VAL 17 CO 0.00 0.17 0.54 0.59 0.00 0.00 0.00 175.10 176.40 3gct n ASN 18 N 4.38 -5.17 -1.27 3.32 3.02 -1.26 -5.04 115.26 113.25 3gct n ASN 18 Ca 0.00 -0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.30 3gct n ASN 18 Cb 0.50 -3.98 0.00 0.00 -0.61 0.00 0.00 39.78 35.70 3gct n ASN 18 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gct n GLY 19 N -1.40 1.14 3.23 7.41 0.00 -1.25 -5.13 105.19 109.19 3gct n GLY 19 Ca -0.07 -1.79 -0.09 0.00 0.00 0.00 0.00 46.02 44.06 3gct n GLY 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3gct s GLU 20 N 2.02 0.90 0.35 1.61 -1.05 -1.26 -5.13 118.70 116.14 3gct s GLU 20 Ca 0.00 -0.88 -0.28 0.00 -0.15 0.00 0.00 54.97 53.67 3gct s GLU 20 Cb 0.00 0.37 -0.09 0.00 -0.44 0.00 0.00 34.13 33.97 3gct s GLU 20 CO 0.00 -0.30 1.22 -2.00 0.95 0.00 0.00 175.26 175.12 3gct s GLU 21 N -3.79 4.30 0.52 -4.83 2.12 -1.26 -5.01 118.70 110.75 3gct s GLU 21 Ca 0.04 2.00 -0.05 0.00 0.36 0.00 0.00 54.97 57.32 3gct s GLU 21 Cb 0.04 -2.95 -0.01 0.00 0.26 0.00 0.00 34.13 31.46 3gct s GLU 21 CO -0.11 -0.16 0.82 0.00 -0.54 0.00 0.00 175.26 175.27 3gct s ALA 22 N -1.24 3.40 0.13 6.30 0.00 -1.26 -5.04 121.76 124.06 3gct s ALA 22 Ca 0.51 -0.65 -0.30 0.00 0.00 0.00 0.00 51.96 51.52 3gct s ALA 22 Cb -0.35 -2.54 -0.07 0.00 0.00 0.00 0.00 23.12 20.16 3gct s ALA 22 CO 0.45 -0.53 1.18 0.08 0.00 0.00 0.00 175.76 176.95 3gct s VAL 23 N -2.81 3.81 0.20 0.00 1.01 -1.26 -4.92 120.40 116.43 3gct s VAL 23 Ca 0.50 1.42 -0.32 0.00 0.00 0.00 0.00 61.98 63.58 3gct s VAL 23 Cb -0.10 -3.91 -0.13 0.00 0.00 0.00 0.00 36.38 32.24 3gct s VAL 23 CO 0.44 0.18 1.63 -2.65 0.00 0.00 0.00 175.10 174.70 3gct n PRO 24 N 3.09 2.48 -0.96 2.72 -0.02 -1.26 -1.66 135.00 139.40 3gct n PRO 24 Ca 0.06 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 3gct n PRO 24 Cb 0.46 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 3gct n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gct n GLY 25 N 3.44 0.98 0.00 -1.23 0.00 -1.26 -4.93 105.19 102.19 3gct n GLY 25 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.29 3gct n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gct n SER 26 N 0.00 0.00 -3.42 1.61 3.41 -0.66 -3.76 113.62 110.80 3gct n SER 26 Ca 0.00 0.46 -0.26 0.00 -0.26 0.00 0.00 58.87 58.81 3gct n SER 26 Cb 0.00 -0.49 -0.09 0.00 -0.26 0.00 0.00 64.21 63.38 3gct n SER 26 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3gct n TRP 27 N -1.49 1.70 0.34 7.33 7.02 -1.26 -4.97 117.44 126.10 3gct n TRP 27 Ca 0.06 -3.88 0.09 0.00 -1.02 0.00 0.00 57.50 52.76 3gct n TRP 27 Cb 0.29 -0.39 0.42 0.00 -2.42 0.00 0.00 31.31 29.21 3gct n TRP 27 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 3gct n PRO 28 N 1.48 0.12 0.01 -0.99 -0.04 -1.25 -1.87 135.00 132.46 3gct n PRO 28 Ca 0.26 0.43 0.13 0.00 -0.04 0.00 0.00 63.50 64.27 3gct n PRO 28 Cb 0.45 -1.77 0.38 0.00 -0.04 0.00 0.00 33.50 32.52 3gct n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3gct n TRP 29 N -2.00 0.11 -2.49 0.54 2.14 -1.12 -2.42 117.44 112.20 3gct n TRP 29 Ca 0.02 0.03 -0.42 0.00 2.07 0.00 0.00 57.50 59.19 3gct n TRP 29 Cb 0.16 -0.42 -0.03 0.00 -0.81 0.00 0.00 31.31 30.21 3gct n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 3gct s GLN 30 N -3.02 4.36 0.30 -2.67 2.00 -0.78 -1.02 119.66 118.81 3gct s GLN 30 Ca 0.11 1.63 0.10 0.00 -2.00 0.00 0.00 55.36 55.21 3gct s GLN 30 Cb 0.17 -3.56 -0.05 0.00 0.80 0.00 0.00 33.01 30.38 3gct s GLN 30 CO 0.64 -0.44 -0.02 0.14 -0.50 0.00 0.00 175.29 175.11 3gct s VAL 31 N 2.22 3.00 -0.15 1.34 -7.23 -0.66 -4.49 120.40 114.43 3gct s VAL 31 Ca 0.55 -1.99 -0.01 0.00 -1.81 0.00 0.00 61.98 58.71 3gct s VAL 31 Cb -0.24 -2.76 -0.02 0.00 0.56 0.00 0.00 36.38 33.93 3gct s VAL 31 CO 0.21 -0.31 -0.10 -0.55 -0.31 0.00 0.00 175.10 174.05 3gct s SER 32 N -3.68 4.19 -0.31 4.85 0.15 -0.05 -2.66 113.70 116.20 3gct s SER 32 Ca 0.33 -0.31 -0.17 0.00 0.70 0.00 0.00 55.95 56.50 3gct s SER 32 Cb -0.04 -1.66 -0.02 0.00 -1.71 0.00 0.00 66.02 62.59 3gct s SER 32 CO 0.19 0.13 0.48 -0.76 1.20 0.00 0.00 173.24 174.48 3gct s LEU 33 N 0.57 4.21 0.12 3.45 1.43 0.22 -0.46 118.68 128.22 3gct s LEU 33 Ca -0.06 0.18 0.09 0.00 -1.03 0.00 0.00 54.13 53.30 3gct s LEU 33 Cb -0.15 -2.56 -0.04 0.00 0.03 0.00 0.00 46.19 43.47 3gct s LEU 33 CO 0.03 -0.36 -0.21 -1.10 0.23 0.00 0.00 176.35 174.94 3gct s GLN 34 N 2.29 1.18 0.61 1.70 -0.21 -0.11 -0.96 119.66 124.15 3gct s GLN 34 Ca 0.18 -1.23 -0.10 0.00 0.02 0.00 0.00 55.36 54.23 3gct s GLN 34 Cb -0.16 -1.43 0.14 0.00 1.00 0.00 0.00 33.01 32.57 3gct s GLN 34 CO 0.11 0.32 0.82 -0.40 -2.12 0.00 0.00 175.29 174.03 3gct n ASP 35 N 0.91 0.02 0.25 5.90 3.85 -0.55 -0.71 116.55 126.22 3gct n ASP 35 Ca -0.18 -1.29 0.12 0.00 -0.71 0.00 0.00 54.79 52.73 3gct n ASP 35 Cb 0.54 -0.63 0.67 0.00 -1.35 0.00 0.00 41.12 40.36 3gct n ASP 35 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.20 176.26 3gct h LYS 36 N 0.00 0.00 0.00 0.11 2.10 -1.92 -2.07 116.57 114.79 3gct h LYS 36 Ca -0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 3gct h LYS 36 Cb 0.73 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.06 3gct h LYS 36 CO 0.19 0.14 0.00 0.25 -2.00 0.00 0.00 179.45 178.03 3gct n THR 37 N -3.69 0.01 -0.43 0.07 -2.24 -1.26 -4.90 114.28 101.85 3gct n THR 37 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3gct n THR 37 Cb 0.26 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 3gct n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gct n GLY 38 N 1.20 0.77 3.67 3.38 0.00 -0.78 -5.04 105.19 108.39 3gct n GLY 38 Ca 0.16 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3gct n GLY 38 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3gct s PHE 39 N -2.00 3.40 -0.14 1.61 5.36 -1.26 -4.80 117.98 120.15 3gct s PHE 39 Ca 0.00 1.28 -0.29 0.00 -0.96 0.00 0.00 56.93 56.95 3gct s PHE 39 Cb 0.00 -3.06 -0.03 0.00 -0.34 0.00 0.00 43.02 39.59 3gct s PHE 39 CO 0.00 -0.29 1.53 -1.58 -1.46 0.00 0.00 175.22 173.41 3gct s HIS 40 N 2.36 2.27 -0.00 10.12 5.65 -1.26 -1.48 115.29 132.95 3gct s HIS 40 Ca 0.39 0.53 0.01 0.00 0.25 0.00 0.00 55.06 56.24 3gct s HIS 40 Cb -0.16 -3.82 -0.02 0.00 -1.18 0.00 0.00 32.58 27.40 3gct s HIS 40 CO 0.11 -2.95 0.03 1.97 -0.65 0.00 0.00 174.74 173.25 3gct n PHE 41 N 7.36 0.00 -3.68 3.88 1.16 -0.13 -5.00 117.46 121.05 3gct n PHE 41 Ca 0.17 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.65 3gct n PHE 41 Cb 0.44 -0.03 -0.02 0.00 -1.61 0.00 0.00 39.48 38.26 3gct n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3gct s GLY 43 N -2.85 2.09 0.20 0.00 0.00 -1.26 -0.61 107.32 104.88 3gct s GLY 43 Ca 0.07 -1.62 -0.23 0.00 0.00 0.00 0.00 44.72 42.94 3gct s GLY 43 CO -0.02 -1.85 0.95 -0.32 0.00 0.00 0.00 173.10 171.86 3gct s GLY 44 N -4.49 -0.04 -0.03 0.20 0.00 -1.09 -4.66 107.32 97.22 3gct s GLY 44 Ca 0.46 -0.16 0.02 0.00 0.00 0.00 0.00 44.72 45.04 3gct s GLY 44 CO 0.29 0.76 -0.07 -0.56 0.00 0.00 0.00 173.10 173.52 3gct s SER 45 N -3.11 1.03 0.10 1.64 0.01 0.02 -1.65 113.70 111.75 3gct s SER 45 Ca 0.16 -0.16 -0.30 0.00 1.31 0.00 0.00 55.95 56.96 3gct s SER 45 Cb -0.02 -0.33 -0.06 0.00 0.21 0.00 0.00 66.02 65.81 3gct s SER 45 CO 0.05 0.03 1.20 -0.76 0.41 0.00 0.00 173.24 174.17 3gct s LEU 46 N 0.37 4.40 0.00 2.44 1.43 -0.19 -1.24 118.68 125.88 3gct s LEU 46 Ca -0.05 2.09 0.09 0.00 -1.03 0.00 0.00 54.13 55.23 3gct s LEU 46 Cb -0.09 -3.59 -0.08 0.00 0.03 0.00 0.00 46.19 42.46 3gct s LEU 46 CO 0.00 -0.44 0.42 2.30 0.23 0.00 0.00 176.35 178.86 3gct n ILE 47 N 3.47 0.00 -3.88 -0.59 -5.35 -0.81 -1.41 119.36 110.79 3gct n ILE 47 Ca 0.07 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 62.25 3gct n ILE 47 Cb 0.46 1.02 0.01 0.00 -1.74 0.00 0.00 39.64 39.39 3gct n ILE 47 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 3gct n ASN 48 N -1.06 -0.99 0.26 7.28 2.04 -1.22 -4.67 115.26 116.89 3gct n ASN 48 Ca 0.02 -1.36 0.17 0.00 -0.44 0.00 0.00 54.58 52.97 3gct n ASN 48 Cb 0.15 1.57 0.70 0.00 -2.53 0.00 0.00 39.78 39.67 3gct n ASN 48 CO 0.00 0.00 0.00 -0.33 -0.44 0.00 0.00 177.26 176.49 3gct h GLU 49 N 0.00 0.00 -0.04 -3.83 3.07 -1.97 -3.26 114.58 108.56 3gct h GLU 49 Ca -0.17 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.69 3gct h GLU 49 Cb 0.83 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.74 3gct h GLU 49 CO 0.23 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.93 3gct n ASN 50 N -2.99 1.64 -3.88 1.42 3.02 -1.26 0.37 115.26 113.57 3gct n ASN 50 Ca 0.01 -1.36 -0.11 0.00 -0.03 0.00 0.00 54.58 53.08 3gct n ASN 50 Cb 0.28 -0.02 -0.13 0.00 -0.61 0.00 0.00 39.78 39.30 3gct n ASN 50 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 3gct s TRP 51 N -0.56 0.02 -0.02 3.10 0.52 -1.23 -1.26 118.94 119.50 3gct s TRP 51 Ca 0.07 -0.02 0.06 0.00 0.02 0.00 0.00 56.10 56.23 3gct s TRP 51 Cb 0.05 -0.03 -0.01 0.00 -1.15 0.00 0.00 33.47 32.33 3gct s TRP 51 CO 0.07 -0.07 -0.21 0.08 0.02 0.00 0.00 176.95 176.84 3gct s VAL 52 N -0.34 1.66 -0.10 4.03 1.01 -0.50 -1.92 120.40 124.24 3gct s VAL 52 Ca -0.04 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.03 3gct s VAL 52 Cb -0.03 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 3gct s VAL 52 CO -0.00 0.47 -0.01 0.68 0.00 0.00 0.00 175.10 176.24 3gct s VAL 53 N -0.40 4.20 0.22 2.92 -7.23 -0.37 -0.34 120.40 119.39 3gct s VAL 53 Ca 0.06 -0.28 -0.02 0.00 -1.81 0.00 0.00 61.98 59.93 3gct s VAL 53 Cb -0.09 -2.79 0.01 0.00 0.56 0.00 0.00 36.38 34.07 3gct s VAL 53 CO -0.00 0.57 0.32 1.07 -0.31 0.00 0.00 175.10 176.75 3gct n THR 54 N 2.53 0.00 -3.22 5.32 5.66 -0.28 -0.80 114.28 123.49 3gct n THR 54 Ca -0.18 -1.04 -0.35 0.00 -3.05 0.00 0.00 64.05 59.43 3gct n THR 54 Cb 0.53 0.67 -0.06 0.00 -1.55 0.00 0.00 70.33 69.92 3gct n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3gct s ALA 55 N -2.23 3.47 0.25 1.79 0.00 -1.26 -1.12 121.76 122.66 3gct s ALA 55 Ca 0.17 0.01 -0.03 0.00 0.00 0.00 0.00 51.96 52.11 3gct s ALA 55 Cb -0.01 -2.68 0.30 0.00 0.00 0.00 0.00 23.12 20.73 3gct s ALA 55 CO 0.12 0.39 1.76 0.00 0.00 0.00 0.00 175.76 178.03 3gct h ALA 56 N 3.27 1.08 0.00 0.00 0.00 -1.72 -2.69 119.26 119.20 3gct h ALA 56 Ca -0.48 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.18 3gct h ALA 56 Cb 1.19 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3gct h ALA 56 CO 0.66 0.59 0.00 -2.39 0.00 0.00 0.00 179.25 178.10 3gct n HIS 57 N -4.23 0.00 0.29 0.00 1.44 -1.26 -2.39 115.22 109.08 3gct n HIS 57 Ca 0.03 0.00 0.15 0.00 -2.01 0.00 0.00 57.72 55.89 3gct n HIS 57 Cb 0.28 -0.48 0.89 0.00 0.12 0.00 0.00 29.99 30.79 3gct n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3gct n GLY 59 N -1.23 -0.31 3.77 0.00 0.00 -1.00 -4.94 105.19 101.48 3gct n GLY 59 Ca -0.03 0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 3gct n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gct s VAL 60 N -3.20 2.08 0.32 1.61 1.01 -1.26 -5.05 120.40 115.90 3gct s VAL 60 Ca 0.41 0.07 0.06 0.00 0.00 0.00 0.00 61.98 62.52 3gct s VAL 60 Cb -0.18 -3.04 -0.06 0.00 0.00 0.00 0.00 36.38 33.09 3gct s VAL 60 CO 0.51 0.01 -0.01 0.42 0.00 0.00 0.00 175.10 176.03 3gct s THR 61 N -1.17 1.61 -2.00 3.92 -4.23 -1.26 -4.97 115.64 107.53 3gct s THR 61 Ca 0.58 -2.07 0.20 0.00 -1.18 0.00 0.00 61.69 59.22 3gct s THR 61 Cb -0.45 -2.68 0.57 0.00 1.34 0.00 0.00 72.50 71.29 3gct s THR 61 CO 0.59 -0.14 1.63 0.35 -0.54 0.00 0.00 174.62 176.50 3gct n THR 62 N -0.70 0.00 0.74 3.99 -2.24 -1.26 -1.99 114.28 112.81 3gct n THR 62 Ca -0.04 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.86 3gct n THR 62 Cb 0.65 -0.54 0.27 0.00 -2.10 0.00 0.00 70.33 68.61 3gct n THR 62 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3gct n SER 63 N -0.92 0.58 -4.91 3.42 7.64 -1.26 -4.51 113.62 113.66 3gct n SER 63 Ca 0.15 0.12 -0.27 0.00 1.01 0.00 0.00 58.87 59.87 3gct n SER 63 Cb 0.07 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.30 3gct n SER 63 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3gct s ASP 64 N -3.81 5.69 -0.03 6.43 -0.00 -0.84 -4.07 116.67 120.03 3gct s ASP 64 Ca 0.09 0.83 0.07 0.00 -0.00 0.00 0.00 52.55 53.54 3gct s ASP 64 Cb 0.15 -1.84 -0.01 0.00 -0.00 0.00 0.00 42.92 41.21 3gct s ASP 64 CO 0.68 -1.03 -0.24 -0.69 -0.00 0.00 0.00 175.17 173.89 3gct s VAL 65 N -3.02 1.94 -0.26 -1.27 1.01 0.11 -4.28 120.40 114.63 3gct s VAL 65 Ca 0.54 -1.03 -0.16 0.00 0.00 0.00 0.00 61.98 61.33 3gct s VAL 65 Cb -0.11 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 3gct s VAL 65 CO 0.46 0.55 0.40 -0.69 0.00 0.00 0.00 175.10 175.82 3gct s VAL 66 N -0.38 5.16 -0.27 2.92 1.01 -0.24 -0.94 120.40 127.66 3gct s VAL 66 Ca 0.04 0.64 -0.04 0.00 0.00 0.00 0.00 61.98 62.61 3gct s VAL 66 Cb -0.11 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.55 3gct s VAL 66 CO 0.01 0.15 0.01 -0.69 0.00 0.00 0.00 175.10 174.58 3gct s VAL 67 N 2.06 3.50 0.11 2.92 1.01 0.39 0.75 120.40 131.14 3gct s VAL 67 Ca 0.16 -0.77 0.06 0.00 0.00 0.00 0.00 61.98 61.43 3gct s VAL 67 Cb -0.16 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 3gct s VAL 67 CO 0.10 0.18 -0.01 0.00 0.00 0.00 0.00 175.10 175.36 3gct s ALA 68 N 1.44 3.24 0.00 5.51 0.00 0.04 -0.87 121.76 131.12 3gct s ALA 68 Ca 0.02 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.80 3gct s ALA 68 Cb -0.16 -1.12 0.00 0.00 0.00 0.00 0.00 23.12 21.83 3gct s ALA 68 CO -0.01 0.65 0.00 0.41 0.00 0.00 0.00 175.76 176.81 3gct n GLY 69 N 0.43 1.21 3.81 0.00 0.00 -1.26 -0.47 105.19 108.91 3gct n GLY 69 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 3gct n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gct s GLU 70 N -0.36 4.33 0.03 1.61 0.41 -1.26 -4.66 118.70 118.80 3gct s GLU 70 Ca 0.00 1.16 0.00 0.00 -0.41 0.00 0.00 54.97 55.72 3gct s GLU 70 Cb 0.00 -2.41 0.00 0.00 -1.78 0.00 0.00 34.13 29.94 3gct s GLU 70 CO 0.00 0.09 0.00 0.34 -0.49 0.00 0.00 175.26 175.20 3gct n PHE 71 N -0.20 -0.19 -3.99 1.61 7.35 -1.26 -4.85 117.46 115.93 3gct n PHE 71 Ca 0.05 0.03 -0.33 0.00 -0.76 0.00 0.00 57.45 56.44 3gct n PHE 71 Cb 0.53 0.21 -0.14 0.00 0.35 0.00 0.00 39.48 40.42 3gct n PHE 71 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3gct s ASP 72 N -5.10 4.69 0.60 -2.13 3.68 -1.26 -4.96 116.67 112.19 3gct s ASP 72 Ca 0.00 -1.48 0.39 0.00 2.13 0.00 0.00 52.55 53.59 3gct s ASP 72 Cb 0.00 -1.63 1.97 0.00 -1.45 0.00 0.00 42.92 41.81 3gct s ASP 72 CO 0.00 -0.26 2.19 1.56 0.13 0.00 0.00 175.17 178.79 3gct h GLN 73 N 7.85 0.00 -0.01 4.34 4.20 -2.02 -2.76 115.11 126.71 3gct h GLN 73 Ca -0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.53 3gct h GLN 73 Cb 1.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.83 3gct h GLN 73 CO 0.51 0.00 -0.14 0.41 -0.67 0.00 0.00 178.83 178.94 3gct n GLY 74 N -0.66 -0.75 3.77 3.46 0.00 -1.26 -4.93 105.19 104.81 3gct n GLY 74 Ca -0.02 -0.32 -0.38 0.00 0.00 0.00 0.00 46.02 45.31 3gct n GLY 74 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gct s SER 75 N -2.42 6.74 0.00 1.61 0.15 -1.04 -4.97 113.70 113.76 3gct s SER 75 Ca 0.29 0.87 0.23 0.00 0.70 0.00 0.00 55.95 58.04 3gct s SER 75 Cb 0.20 -2.27 0.15 0.00 -1.71 0.00 0.00 66.02 62.39 3gct s SER 75 CO 0.47 0.16 1.19 -1.54 1.20 0.00 0.00 173.24 174.72 3gct n SER 76 N 2.79 2.75 -0.58 5.45 3.41 -1.26 -4.32 113.62 121.85 3gct n SER 76 Ca -0.11 -1.87 0.07 0.00 -0.26 0.00 0.00 58.87 56.70 3gct n SER 76 Cb 0.52 0.08 0.07 0.00 -0.26 0.00 0.00 64.21 64.62 3gct n SER 76 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3gct n SER 77 N 1.06 2.25 -4.79 4.04 3.41 -1.26 -4.96 113.62 113.38 3gct n SER 77 Ca 0.13 -1.62 -0.36 0.00 -0.26 0.00 0.00 58.87 56.76 3gct n SER 77 Cb 0.55 -0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 64.43 3gct n SER 77 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3gct s GLU 78 N -1.16 4.26 -1.14 4.33 2.02 -1.26 -4.97 118.70 120.77 3gct s GLU 78 Ca 0.17 1.37 -0.15 0.00 0.02 0.00 0.00 54.97 56.38 3gct s GLU 78 Cb 0.12 -2.49 0.16 0.00 0.10 0.00 0.00 34.13 32.02 3gct s GLU 78 CO 0.18 -0.03 1.36 0.15 0.02 0.00 0.00 175.26 176.94 3gct s LYS 79 N -2.59 3.97 0.58 1.61 1.02 -1.26 -5.00 119.74 118.07 3gct s LYS 79 Ca 0.57 -2.38 -0.01 0.00 0.02 0.00 0.00 55.97 54.17 3gct s LYS 79 Cb -0.18 -5.03 0.04 0.00 -0.52 0.00 0.00 37.83 32.14 3gct s LYS 79 CO 0.23 -1.77 0.83 0.96 -0.92 0.00 0.00 175.35 174.67 3gct s ILE 80 N 1.87 2.67 -0.21 2.17 -4.36 -1.26 -4.83 121.20 117.25 3gct s ILE 80 Ca 0.40 -0.54 0.02 0.00 -0.26 0.00 0.00 60.65 60.27 3gct s ILE 80 Cb -0.03 -3.04 0.03 0.00 1.25 0.00 0.00 42.46 40.67 3gct s ILE 80 CO -0.02 -0.03 -0.17 -1.10 0.24 0.00 0.00 174.94 173.86 3gct s GLN 81 N -4.87 2.70 -0.38 0.37 -0.21 0.38 -4.98 119.66 112.66 3gct s GLN 81 Ca 0.57 -1.01 -0.16 0.00 0.02 0.00 0.00 55.36 54.78 3gct s GLN 81 Cb -0.10 -2.67 0.00 0.00 1.00 0.00 0.00 33.01 31.24 3gct s GLN 81 CO 0.40 -0.34 0.39 0.15 -2.12 0.00 0.00 175.29 173.77 3gct s LYS 82 N 1.23 3.33 -0.01 2.91 1.02 -1.26 -0.78 119.74 126.18 3gct s LYS 82 Ca -0.00 -0.60 0.07 0.00 0.02 0.00 0.00 55.97 55.46 3gct s LYS 82 Cb -0.16 -3.88 -0.03 0.00 -0.52 0.00 0.00 37.83 33.25 3gct s LYS 82 CO -0.10 -0.68 -0.21 -0.51 -0.92 0.00 0.00 175.35 172.93 3gct s LEU 83 N 2.05 2.38 0.29 3.17 1.43 0.23 -4.94 118.68 123.29 3gct s LEU 83 Ca 0.11 -0.40 -0.15 0.00 -1.03 0.00 0.00 54.13 52.67 3gct s LEU 83 Cb -0.17 -1.43 -0.09 0.00 0.03 0.00 0.00 46.19 44.53 3gct s LEU 83 CO 0.12 0.30 0.70 -0.54 0.23 0.00 0.00 176.35 177.17 3gct s LYS 84 N -0.91 4.01 -0.23 1.70 1.02 -1.26 -1.08 119.74 122.98 3gct s LYS 84 Ca 0.12 0.64 -0.15 0.00 0.02 0.00 0.00 55.97 56.60 3gct s LYS 84 Cb -0.10 -2.54 -0.04 0.00 -0.52 0.00 0.00 37.83 34.63 3gct s LYS 84 CO 0.01 0.22 0.35 0.42 -0.92 0.00 0.00 175.35 175.43 3gct s ILE 85 N -1.88 5.22 -0.13 2.17 1.01 -1.26 0.06 121.20 126.39 3gct s ILE 85 Ca 0.51 0.57 -0.26 0.00 0.00 0.00 0.00 60.65 61.47 3gct s ILE 85 Cb -0.11 -3.68 -0.26 0.00 0.01 0.00 0.00 42.46 38.42 3gct s ILE 85 CO 0.18 0.24 0.71 0.00 0.00 0.00 0.00 174.94 176.08 3gct h ALA 86 N 7.64 0.02 -2.53 9.38 0.00 -0.71 -3.44 119.26 129.62 3gct h ALA 86 Ca -0.35 -0.65 -0.11 0.00 0.00 0.00 0.00 54.91 53.80 3gct h ALA 86 Cb 1.16 0.13 -0.22 0.00 0.00 0.00 0.00 17.79 18.87 3gct h ALA 86 CO 0.68 0.19 -0.19 0.21 0.00 0.00 0.00 179.25 180.15 3gct s LYS 87 N -2.29 0.64 -0.16 0.00 2.20 -1.12 -4.98 119.74 114.03 3gct s LYS 87 Ca -0.19 0.22 -0.05 0.00 -0.36 0.00 0.00 55.97 55.58 3gct s LYS 87 Cb -0.01 0.30 -0.03 0.00 -1.51 0.00 0.00 37.83 36.57 3gct s LYS 87 CO 0.71 -0.15 0.02 0.08 -0.36 0.00 0.00 175.35 175.65 3gct s VAL 88 N -0.61 4.41 -0.39 4.02 1.01 -1.26 -1.80 120.40 125.77 3gct s VAL 88 Ca -0.07 -0.18 0.04 0.00 0.00 0.00 0.00 61.98 61.77 3gct s VAL 88 Cb -0.04 -2.95 0.11 0.00 0.00 0.00 0.00 36.38 33.50 3gct s VAL 88 CO 0.03 0.49 0.11 -0.36 0.00 0.00 0.00 175.10 175.38 3gct s PHE 89 N 0.22 3.53 -0.14 5.22 0.40 0.11 -4.99 117.98 122.33 3gct s PHE 89 Ca 0.01 -3.02 -0.23 0.00 -0.60 0.00 0.00 56.93 53.09 3gct s PHE 89 Cb -0.13 -2.85 -0.03 0.00 0.51 0.00 0.00 43.02 40.52 3gct s PHE 89 CO 0.01 -0.89 0.72 0.21 0.70 0.00 0.00 175.22 175.98 3gct s LYS 90 N 0.58 4.33 0.01 0.44 2.20 -1.26 -0.30 119.74 125.74 3gct s LYS 90 Ca 0.13 0.84 -0.34 0.00 -0.36 0.00 0.00 55.97 56.24 3gct s LYS 90 Cb -0.21 -3.52 -0.12 0.00 -1.51 0.00 0.00 37.83 32.46 3gct s LYS 90 CO -0.06 -0.14 1.77 -1.71 -0.36 0.00 0.00 175.35 174.85 3gct n ASN 91 N 4.58 3.36 0.00 1.43 2.85 -1.10 -4.83 115.26 121.55 3gct n ASN 91 Ca 0.00 1.01 0.07 0.00 -0.11 0.00 0.00 54.58 55.56 3gct n ASN 91 Cb 0.50 -1.40 0.38 0.00 1.24 0.00 0.00 39.78 40.50 3gct n ASN 91 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 3gct n SER 92 N 5.47 0.00 -0.14 1.20 3.41 -1.26 -0.61 113.62 121.69 3gct n SER 92 Ca 0.20 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.95 3gct n SER 92 Cb 0.30 -0.25 0.42 0.00 -0.26 0.00 0.00 64.21 64.43 3gct n SER 92 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3gct n LYS 93 N -1.25 0.56 -1.72 4.33 5.02 -1.26 -4.90 118.16 118.94 3gct n LYS 93 Ca 0.08 -0.28 -0.42 0.00 -2.02 0.00 0.00 58.31 55.66 3gct n LYS 93 Cb 0.11 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.60 3gct n LYS 93 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 3gct n TYR 94 N -0.97 2.77 -4.03 2.13 9.36 0.22 -4.63 117.16 122.01 3gct n TYR 94 Ca 0.11 0.08 -0.31 0.00 3.32 0.00 0.00 57.90 61.10 3gct n TYR 94 Cb 0.33 -2.66 -0.15 0.00 -0.63 0.00 0.00 39.34 36.23 3gct n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3gct s ASN 95 N 1.04 4.69 0.61 2.98 3.84 -0.11 -4.97 114.94 123.02 3gct s ASN 95 Ca 0.73 -2.00 0.33 0.00 0.21 0.00 0.00 52.86 52.13 3gct s ASN 95 Cb -0.51 -1.61 1.94 0.00 -0.55 0.00 0.00 41.25 40.53 3gct s ASN 95 CO 0.35 -0.34 2.27 0.77 -2.79 0.00 0.00 177.10 177.36 3gct h SER 96 N 7.65 0.00 0.18 -4.21 4.64 -1.92 0.27 113.55 120.16 3gct h SER 96 Ca -0.07 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.02 3gct h SER 96 Cb 1.02 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.12 3gct h SER 96 CO 0.51 0.00 -0.90 -0.07 -0.87 0.00 0.00 176.83 175.50 3gct h LEU 97 N 0.00 0.67 0.00 5.97 4.07 -1.96 -3.32 115.31 120.74 3gct h LEU 97 Ca 0.00 -0.50 0.00 0.00 0.08 0.00 0.00 57.88 57.47 3gct h LEU 97 Cb 0.03 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.57 3gct h LEU 97 CO -0.00 1.29 -1.02 0.35 -1.08 0.00 0.00 178.44 177.98 3gct n THR 98 N -3.82 0.00 -2.22 0.22 -2.24 -1.01 -4.97 114.28 100.23 3gct n THR 98 Ca -0.07 -0.14 -0.15 0.00 -2.27 0.00 0.00 64.05 61.41 3gct n THR 98 Cb 0.81 0.83 -0.01 0.00 -2.10 0.00 0.00 70.33 69.85 3gct n THR 98 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 3gct n ILE 99 N -1.55 -0.67 -3.39 2.28 5.41 0.91 -5.00 119.36 117.34 3gct n ILE 99 Ca 0.02 0.00 -0.34 0.00 1.00 0.00 0.00 62.75 63.43 3gct n ILE 99 Cb 0.31 -2.27 -0.06 0.00 -0.71 0.00 0.00 39.64 36.91 3gct n ILE 99 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 3gct s ASN 100 N -2.35 6.72 -1.10 4.38 3.04 -1.02 -4.09 114.94 120.53 3gct s ASN 100 Ca 0.00 0.99 -0.00 0.00 0.04 0.00 0.00 52.86 53.89 3gct s ASN 100 Cb 0.00 -2.25 0.00 0.00 -1.54 0.00 0.00 41.25 37.46 3gct s ASN 100 CO 0.00 0.03 0.92 0.59 -3.04 0.00 0.00 177.10 175.59 3gct n ASN 101 N 0.38 -2.21 -3.70 -4.21 3.02 -1.26 -0.94 115.26 106.34 3gct n ASN 101 Ca -0.03 -0.56 -0.42 0.00 -0.03 0.00 0.00 54.58 53.54 3gct n ASN 101 Cb 0.52 -4.71 -0.02 0.00 -0.61 0.00 0.00 39.78 34.96 3gct n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3gct n ASP 102 N -2.93 3.51 -3.91 6.41 4.64 -1.26 -3.95 116.55 119.07 3gct n ASP 102 Ca -0.25 -2.80 -0.13 0.00 -1.38 0.00 0.00 54.79 50.23 3gct n ASP 102 Cb 0.65 -1.51 -0.14 0.00 -1.04 0.00 0.00 41.12 39.08 3gct n ASP 102 CO 0.00 0.00 0.00 -0.51 -0.82 0.00 0.00 177.20 175.87 3gct s ILE 103 N 3.68 0.15 0.01 5.18 2.07 -1.26 -3.42 121.20 127.60 3gct s ILE 103 Ca 0.50 -0.12 0.02 0.00 -1.41 0.00 0.00 60.65 59.64 3gct s ILE 103 Cb 0.14 -0.14 -0.01 0.00 0.13 0.00 0.00 42.46 42.58 3gct s ILE 103 CO -0.03 0.02 -0.08 -0.89 -1.91 0.00 0.00 174.94 172.04 3gct s THR 104 N -0.11 0.60 -0.02 4.00 2.01 -0.27 -2.72 115.64 119.13 3gct s THR 104 Ca -0.00 -0.60 0.03 0.00 0.31 0.00 0.00 61.69 61.43 3gct s THR 104 Cb -0.01 -0.56 -0.03 0.00 0.01 0.00 0.00 72.50 71.90 3gct s THR 104 CO -0.00 -0.02 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.08 3gct s LEU 105 N -0.68 3.16 -0.16 4.42 1.43 0.59 -1.13 118.68 126.31 3gct s LEU 105 Ca -0.01 -0.12 0.01 0.00 -1.03 0.00 0.00 54.13 52.99 3gct s LEU 105 Cb -0.05 -1.78 0.01 0.00 0.03 0.00 0.00 46.19 44.40 3gct s LEU 105 CO 0.00 0.30 -0.20 -0.76 0.23 0.00 0.00 176.35 175.93 3gct s LEU 106 N -1.25 2.20 -0.23 1.79 1.43 0.54 0.04 118.68 123.20 3gct s LEU 106 Ca 0.16 -0.59 -0.16 0.00 -1.03 0.00 0.00 54.13 52.50 3gct s LEU 106 Cb -0.11 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 3gct s LEU 106 CO 0.06 0.05 0.43 -0.75 0.23 0.00 0.00 176.35 176.37 3gct s LYS 107 N 1.00 4.11 0.34 1.70 2.20 -0.74 -1.41 119.74 126.94 3gct s LYS 107 Ca -0.02 0.21 -0.26 0.00 -0.36 0.00 0.00 55.97 55.54 3gct s LYS 107 Cb -0.15 -3.59 -0.09 0.00 -1.51 0.00 0.00 37.83 32.49 3gct s LYS 107 CO -0.05 -0.18 1.01 -0.51 -0.36 0.00 0.00 175.35 175.26 3gct s LEU 108 N 1.75 4.33 0.15 5.43 1.43 -0.39 -0.06 118.68 131.32 3gct s LEU 108 Ca 0.19 1.99 0.14 0.00 -1.03 0.00 0.00 54.13 55.42 3gct s LEU 108 Cb -0.15 -3.98 -0.08 0.00 0.03 0.00 0.00 46.19 42.01 3gct s LEU 108 CO 0.09 -0.22 1.14 0.77 0.23 0.00 0.00 176.35 178.36 3gct h SER 109 N 3.11 0.00 -3.39 2.29 4.64 -0.65 -3.42 113.55 116.13 3gct h SER 109 Ca -0.47 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.18 3gct h SER 109 Cb 1.20 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 62.94 3gct h SER 109 CO 0.65 0.65 -0.82 0.42 -0.87 0.00 0.00 176.83 176.86 3gct s THR 110 N -2.88 2.26 0.31 2.95 -4.23 -1.25 -5.02 115.64 107.79 3gct s THR 110 Ca 0.00 -1.16 -0.30 0.00 -1.18 0.00 0.00 61.69 59.06 3gct s THR 110 Cb 0.08 -2.10 -0.11 0.00 1.34 0.00 0.00 72.50 71.71 3gct s THR 110 CO 0.79 0.31 1.55 0.00 -0.54 0.00 0.00 174.62 176.73 3gct s ALA 111 N 1.24 3.70 0.63 3.99 0.00 -1.26 -4.69 121.76 125.36 3gct s ALA 111 Ca -0.00 1.55 -0.18 0.00 0.00 0.00 0.00 51.96 53.32 3gct s ALA 111 Cb -0.16 -3.63 -0.02 0.00 0.00 0.00 0.00 23.12 19.31 3gct s ALA 111 CO -0.09 -0.97 1.25 0.00 0.00 0.00 0.00 175.76 175.95 3gct s ALA 112 N -0.26 2.43 -0.33 0.00 0.00 0.16 -4.99 121.76 118.77 3gct s ALA 112 Ca 0.60 1.11 -0.10 0.00 0.00 0.00 0.00 51.96 53.57 3gct s ALA 112 Cb -0.47 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.15 3gct s ALA 112 CO 0.51 -1.43 0.16 0.45 0.00 0.00 0.00 175.76 175.45 3gct s SER 113 N -1.52 5.58 0.27 0.00 0.15 -1.26 -4.84 113.70 112.08 3gct s SER 113 Ca 0.80 -0.65 -0.30 0.00 0.70 0.00 0.00 55.95 56.50 3gct s SER 113 Cb -0.34 -2.00 -0.09 0.00 -1.71 0.00 0.00 66.02 61.87 3gct s SER 113 CO 0.37 -0.24 1.09 -0.36 1.20 0.00 0.00 173.24 175.30 3gct s PHE 114 N 1.59 3.60 0.00 3.44 0.40 -1.26 -4.79 117.98 120.96 3gct s PHE 114 Ca 0.04 1.70 0.00 0.00 -0.60 0.00 0.00 56.93 58.07 3gct s PHE 114 Cb -0.18 -3.27 0.00 0.00 0.51 0.00 0.00 43.02 40.08 3gct s PHE 114 CO 0.06 -0.51 0.00 -1.13 0.70 0.00 0.00 175.22 174.34 3gct n SER 115 N 1.32 0.00 -0.17 1.36 3.41 -0.20 -4.94 113.62 114.40 3gct n SER 115 Ca -0.01 -0.01 -0.02 0.00 -0.26 0.00 0.00 58.87 58.57 3gct n SER 115 Cb 0.45 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.59 3gct n SER 115 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3gct h GLN 116 N 0.00 0.91 -0.02 4.33 4.20 -1.98 -3.17 115.11 119.38 3gct h GLN 116 Ca 0.00 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.57 3gct h GLN 116 Cb 0.00 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.62 3gct h GLN 116 CO 0.00 0.74 -0.34 0.25 -0.67 0.00 0.00 178.83 178.81 3gct n THR 117 N -4.32 0.00 -3.76 -0.54 -2.24 -1.26 -4.87 114.28 97.29 3gct n THR 117 Ca 0.05 -0.28 -0.26 0.00 -2.27 0.00 0.00 64.05 61.30 3gct n THR 117 Cb 0.17 1.12 -0.17 0.00 -2.10 0.00 0.00 70.33 69.35 3gct n THR 117 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3gct s VAL 118 N -2.38 0.50 0.23 2.28 1.01 -1.20 -4.40 120.40 116.44 3gct s VAL 118 Ca 0.22 -0.24 -0.21 0.00 0.00 0.00 0.00 61.98 61.74 3gct s VAL 118 Cb 0.19 -0.82 0.06 0.00 0.00 0.00 0.00 36.38 35.81 3gct s VAL 118 CO 0.51 0.04 0.91 -0.94 0.00 0.00 0.00 175.10 175.62 3gct s SER 119 N 1.90 -0.09 0.21 3.32 1.04 -1.01 -1.03 113.70 118.03 3gct s SER 119 Ca 0.02 -0.69 -0.01 0.00 0.48 0.00 0.00 55.95 55.75 3gct s SER 119 Cb -0.15 0.61 -0.04 0.00 0.10 0.00 0.00 66.02 66.54 3gct s SER 119 CO -0.07 -1.17 0.40 0.00 0.98 0.00 0.00 173.24 173.38 3gct s ALA 120 N -2.80 3.82 0.29 5.32 0.00 -1.26 -2.81 121.76 124.31 3gct s ALA 120 Ca 0.16 -0.81 -0.02 0.00 0.00 0.00 0.00 51.96 51.29 3gct s ALA 120 Cb -0.03 -2.02 -0.04 0.00 0.00 0.00 0.00 23.12 21.03 3gct s ALA 120 CO 0.06 0.42 0.51 0.54 0.00 0.00 0.00 175.76 177.28 3gct s VAL 121 N -1.89 5.11 0.33 0.00 0.11 -0.50 -4.86 120.40 118.70 3gct s VAL 121 Ca 0.39 -0.26 -0.16 0.00 -2.93 0.00 0.00 61.98 59.02 3gct s VAL 121 Cb -0.11 -3.78 -0.09 0.00 -1.53 0.00 0.00 36.38 30.87 3gct s VAL 121 CO 0.29 -0.37 0.75 0.00 -3.33 0.00 0.00 175.10 172.44 3gct s LEU 123 N -2.97 4.38 0.84 0.00 1.43 -1.26 -5.12 118.68 115.98 3gct s LEU 123 Ca 0.55 0.65 -0.12 0.00 -1.03 0.00 0.00 54.13 54.17 3gct s LEU 123 Cb -0.10 -2.70 0.12 0.00 0.03 0.00 0.00 46.19 43.54 3gct s LEU 123 CO 0.17 0.25 1.20 -2.16 0.23 0.00 0.00 176.35 176.04 3gct s PRO 124 N -1.68 1.53 0.31 1.29 0.04 -1.26 -5.07 135.00 130.16 3gct s PRO 124 Ca 0.28 -0.17 -0.11 0.00 0.04 0.00 0.00 61.00 61.03 3gct s PRO 124 Cb -0.14 -1.96 -0.07 0.00 0.04 0.00 0.00 34.50 32.37 3gct s PRO 124 CO 0.15 -1.82 0.67 -1.12 0.04 0.00 0.00 177.00 174.92 3gct s SER 125 N -4.68 6.64 0.61 6.66 0.01 -1.26 -4.94 113.70 116.73 3gct s SER 125 Ca 0.66 1.08 0.29 0.00 1.31 0.00 0.00 55.95 59.29 3gct s SER 125 Cb -0.08 -2.29 1.57 0.00 0.21 0.00 0.00 66.02 65.42 3gct s SER 125 CO 0.50 -0.21 1.95 0.00 0.41 0.00 0.00 173.24 175.89 3gct h ALA 126 N 2.04 1.87 -0.12 1.44 0.00 -2.08 0.13 119.26 122.55 3gct h ALA 126 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3gct h ALA 126 Cb 1.18 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3gct h ALA 126 CO 0.66 -0.52 0.00 -1.13 0.00 0.00 0.00 179.25 178.26 3gct n SER 127 N -3.53 2.35 -4.77 0.00 3.41 -1.26 -4.98 113.62 104.84 3gct n SER 127 Ca 0.04 -1.79 -0.41 0.00 -0.26 0.00 0.00 58.87 56.46 3gct n SER 127 Cb 0.51 -0.07 -0.01 0.00 -0.26 0.00 0.00 64.21 64.38 3gct n SER 127 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3gct s ASP 128 N -1.81 6.52 -0.23 4.04 -0.00 0.45 -5.04 116.67 120.60 3gct s ASP 128 Ca 0.34 2.87 -0.05 0.00 -0.00 0.00 0.00 52.55 55.71 3gct s ASP 128 Cb 0.20 -2.65 -0.02 0.00 -0.00 0.00 0.00 42.92 40.45 3gct s ASP 128 CO 0.31 -0.76 0.01 -0.62 -0.00 0.00 0.00 175.17 174.11 3gct s ASP 129 N -0.05 4.72 -0.31 0.27 2.15 -1.26 -4.97 116.67 117.21 3gct s ASP 129 Ca 0.54 -0.29 0.01 0.00 0.43 0.00 0.00 52.55 53.24 3gct s ASP 129 Cb -0.44 -1.83 0.10 0.00 -0.30 0.00 0.00 42.92 40.45 3gct s ASP 129 CO 0.55 -0.01 0.08 -0.36 -0.17 0.00 0.00 175.17 175.25 3gct s PHE 130 N 1.47 2.28 0.45 -5.34 0.40 -1.26 -5.12 117.98 110.86 3gct s PHE 130 Ca 0.05 -2.07 -0.23 0.00 -0.60 0.00 0.00 56.93 54.09 3gct s PHE 130 Cb -0.15 -2.03 -0.08 0.00 0.51 0.00 0.00 43.02 41.28 3gct s PHE 130 CO 0.00 -0.89 1.12 0.00 0.70 0.00 0.00 175.22 176.15 3gct s ALA 131 N 1.42 2.97 0.41 5.36 0.00 -1.26 -5.01 121.76 125.65 3gct s ALA 131 Ca 0.09 0.82 -0.26 0.00 0.00 0.00 0.00 51.96 52.62 3gct s ALA 131 Cb -0.18 -3.34 -0.10 0.00 0.00 0.00 0.00 23.12 19.51 3gct s ALA 131 CO -0.20 -0.51 1.28 0.00 0.00 0.00 0.00 175.76 176.34 3gct n ALA 132 N -0.49 1.33 0.00 0.00 0.00 -1.26 -2.15 120.51 117.94 3gct n ALA 132 Ca 0.07 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.79 3gct n ALA 132 Cb 0.49 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.67 3gct n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gct n GLY 133 N 0.79 3.46 3.74 0.00 0.00 -1.26 -5.05 105.19 106.88 3gct n GLY 133 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3gct n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gct s THR 134 N -2.94 2.69 -0.28 2.61 2.01 -0.91 -4.98 115.64 113.85 3gct s THR 134 Ca 0.00 0.57 -0.18 0.00 0.31 0.00 0.00 61.69 62.39 3gct s THR 134 Cb 0.00 -3.36 -0.02 0.00 0.01 0.00 0.00 72.50 69.12 3gct s THR 134 CO 0.00 0.09 0.54 -0.89 -0.69 0.00 0.00 174.62 173.66 3gct s THR 135 N 0.13 5.04 0.43 -0.82 2.01 -1.26 -5.04 115.64 116.13 3gct s THR 135 Ca 0.60 0.81 0.02 0.00 0.31 0.00 0.00 61.69 63.43 3gct s THR 135 Cb -0.42 -3.88 -0.01 0.00 0.01 0.00 0.00 72.50 68.21 3gct s THR 135 CO 0.42 0.01 0.06 0.00 -0.69 0.00 0.00 174.62 174.41 3gct s VAL 137 N -2.80 0.84 0.04 0.00 1.01 -1.26 -5.15 120.40 113.08 3gct s VAL 137 Ca 0.08 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.18 3gct s VAL 137 Cb 0.00 -0.80 -0.02 0.00 0.00 0.00 0.00 36.38 35.57 3gct s VAL 137 CO 0.06 -0.11 -0.13 0.28 0.00 0.00 0.00 175.10 175.19 3gct s THR 138 N -0.93 1.05 0.15 3.92 -1.32 -1.26 -5.16 115.64 112.10 3gct s THR 138 Ca -0.02 -1.03 0.02 0.00 -1.21 0.00 0.00 61.69 59.45 3gct s THR 138 Cb -0.08 -0.97 -0.04 0.00 -1.51 0.00 0.00 72.50 69.90 3gct s THR 138 CO 0.01 -0.05 -0.04 0.42 -2.21 0.00 0.00 174.62 172.75 3gct s THR 139 N -0.93 0.81 0.00 5.08 -4.23 -1.26 -5.10 115.64 110.01 3gct s THR 139 Ca 0.00 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 3gct s THR 139 Cb -0.08 -1.96 0.00 0.00 1.34 0.00 0.00 72.50 71.80 3gct s THR 139 CO 0.01 -0.63 0.00 0.61 -0.54 0.00 0.00 174.62 174.07 3gct n GLY 140 N -0.19 0.26 1.03 3.99 0.00 -1.26 -4.96 105.19 104.06 3gct n GLY 140 Ca -0.09 -1.22 -0.01 0.00 0.00 0.00 0.00 46.02 44.70 3gct n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3gct n TRP 141 N -0.96 0.96 -1.47 1.61 8.01 -1.26 -4.69 117.44 119.63 3gct n TRP 141 Ca 0.00 -1.43 -0.29 0.00 -1.31 0.00 0.00 57.50 54.46 3gct n TRP 141 Cb 0.00 -0.43 0.19 0.00 -2.01 0.00 0.00 31.31 29.05 3gct n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 3gct s GLY 142 N -2.47 1.63 0.27 6.99 0.00 -1.26 -4.88 107.32 107.60 3gct s GLY 142 Ca 0.43 -0.84 -0.29 0.00 0.00 0.00 0.00 44.72 44.01 3gct s GLY 142 CO 0.01 -0.12 1.18 1.04 0.00 0.00 0.00 173.10 175.21 3gct n LEU 143 N -4.12 2.40 0.01 0.66 4.77 -1.26 -2.67 117.00 116.79 3gct n LEU 143 Ca 0.11 1.17 0.11 0.00 -0.03 0.00 0.00 56.01 57.37 3gct n LEU 143 Cb 0.59 -1.35 -0.05 0.00 -2.33 0.00 0.00 43.42 40.28 3gct n LEU 143 CO 0.50 -1.00 -0.09 0.35 -1.33 0.00 0.00 177.39 175.83 3gct n THR 144 N 0.80 0.04 -3.63 -5.08 -2.24 -1.26 -1.03 114.28 101.89 3gct n THR 144 Ca 0.10 -0.13 -0.16 0.00 -2.27 0.00 0.00 64.05 61.59 3gct n THR 144 Cb 0.32 0.57 -0.07 0.00 -2.10 0.00 0.00 70.33 69.04 3gct n THR 144 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3gct s ARG 145 N -3.13 0.87 0.00 -0.78 0.52 -1.26 -4.00 118.95 111.17 3gct s ARG 145 Ca 0.05 0.08 0.03 0.00 -0.52 0.00 0.00 55.73 55.37 3gct s ARG 145 Cb 0.15 0.40 0.02 0.00 0.52 0.00 0.00 34.95 36.05 3gct s ARG 145 CO 0.84 -0.25 0.60 0.98 0.02 0.00 0.00 175.30 177.48