#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3sga s ALA 17 N 0.00 4.28 0.58 1.51 0.00 -1.26 -3.29 121.76 123.57 3sga s ALA 17 Ca 0.00 -1.25 -0.20 0.00 0.00 0.00 0.00 51.96 50.50 3sga s ALA 17 Cb 0.00 -0.60 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 3sga s ALA 17 CO 0.00 -0.34 1.24 0.41 0.00 0.00 0.00 175.76 177.07 3sga n GLY 18 N -1.62 0.44 2.67 0.00 0.00 0.11 -2.46 105.19 104.32 3sga n GLY 18 Ca -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3sga n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3sga n GLY 19 N 0.93 1.89 3.92 -0.02 0.00 1.00 -1.05 105.19 111.86 3sga n GLY 19 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 3sga n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3sga s GLU 29 N -0.11 3.48 0.32 1.61 2.02 -1.03 -2.05 118.70 122.94 3sga s GLU 29 Ca 0.00 0.06 -0.29 0.00 0.02 0.00 0.00 54.97 54.76 3sga s GLU 29 Cb 0.00 -2.43 -0.10 0.00 0.10 0.00 0.00 34.13 31.70 3sga s GLU 29 CO 0.00 -0.17 1.31 0.00 0.02 0.00 0.00 175.26 176.43 3sga s ALA 30 N -2.67 3.51 -0.01 5.21 0.00 -1.26 0.10 121.76 126.63 3sga s ALA 30 Ca 0.46 1.25 0.03 0.00 0.00 0.00 0.00 51.96 53.70 3sga s ALA 30 Cb -0.10 -3.48 -0.00 0.00 0.00 0.00 0.00 23.12 19.53 3sga s ALA 30 CO 0.43 -0.64 -0.09 0.96 0.00 0.00 0.00 175.76 176.42 3sga s ILE 31 N -1.02 0.74 0.12 0.00 -4.36 -0.81 -4.82 121.20 111.05 3sga s ILE 31 Ca 0.50 -0.38 0.02 0.00 -0.26 0.00 0.00 60.65 60.52 3sga s ILE 31 Cb -0.40 -0.63 -0.04 0.00 1.25 0.00 0.00 42.46 42.64 3sga s ILE 31 CO 0.52 0.22 -0.04 0.42 0.24 0.00 0.00 174.94 176.30 3sga s THR 32 N -0.08 0.64 -0.17 8.37 -4.23 -1.26 -1.59 115.64 117.33 3sga s THR 32 Ca 0.01 -1.95 -0.05 0.00 -1.18 0.00 0.00 61.69 58.53 3sga s THR 32 Cb -0.05 -1.84 0.08 0.00 1.34 0.00 0.00 72.50 72.03 3sga s THR 32 CO -0.00 -0.72 0.29 0.28 -0.54 0.00 0.00 174.62 173.92 3sga s THR 33 N -3.67 -0.45 0.00 3.99 -1.32 -0.38 -0.38 115.64 113.44 3sga s THR 33 Ca 0.16 0.15 0.00 0.00 -1.21 0.00 0.00 61.69 60.79 3sga s THR 33 Cb 0.06 -0.56 0.00 0.00 -1.51 0.00 0.00 72.50 70.48 3sga s THR 33 CO -0.02 0.02 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 3sga n GLY 34 N 5.35 2.87 0.25 6.08 0.00 -1.26 -0.56 105.19 117.92 3sga n GLY 34 Ca -0.06 -0.15 0.07 0.00 0.00 0.00 0.00 46.02 45.89 3sga n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3sga n GLY 39 N 0.00 -0.39 3.86 -0.02 0.00 -1.26 -4.90 105.19 102.48 3sga n GLY 39 Ca 0.00 -0.22 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 3sga n GLY 39 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3sga s SER 40 N -1.38 6.60 -0.02 1.61 0.01 0.28 -5.10 113.70 115.69 3sga s SER 40 Ca 0.23 0.71 0.05 0.00 1.31 0.00 0.00 55.95 58.25 3sga s SER 40 Cb 0.12 -2.16 -0.01 0.00 0.21 0.00 0.00 66.02 64.18 3sga s SER 40 CO 0.18 0.32 -0.17 -0.60 0.41 0.00 0.00 173.24 173.38 3sga s ARG 41 N -1.28 1.48 0.20 12.44 3.52 -1.26 -1.25 118.95 132.81 3sga s ARG 41 Ca 0.23 -0.61 0.04 0.00 -0.13 0.00 0.00 55.73 55.25 3sga s ARG 41 Cb -0.14 -1.39 -0.01 0.00 -1.56 0.00 0.00 34.95 31.84 3sga s ARG 41 CO 0.11 0.34 0.13 0.00 -0.81 0.00 0.00 175.30 175.07 3sga s SER 43 N -2.35 3.04 0.27 0.00 0.01 0.78 -1.93 113.70 113.52 3sga s SER 43 Ca 0.18 -0.73 -0.29 0.00 1.31 0.00 0.00 55.95 56.42 3sga s SER 43 Cb 0.01 -0.19 -0.09 0.00 0.21 0.00 0.00 66.02 65.95 3sga s SER 43 CO 0.13 0.13 1.02 -0.22 0.41 0.00 0.00 173.24 174.72 3sga s LEU 44 N -2.02 4.57 0.00 2.44 0.20 0.11 -3.27 118.68 120.70 3sga s LEU 44 Ca 0.11 2.10 0.00 0.00 0.69 0.00 0.00 54.13 57.04 3sga s LEU 44 Cb -0.10 -3.66 0.00 0.00 -0.43 0.00 0.00 46.19 42.00 3sga s LEU 44 CO 0.05 -0.02 0.00 0.61 -0.29 0.00 0.00 176.35 176.70 3sga n GLY 45 N 1.25 0.35 3.15 7.98 0.00 0.10 -0.00 105.19 118.02 3sga n GLY 45 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 3sga n GLY 45 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3sga s PHE 46 N -0.51 -0.16 0.13 1.61 0.08 -1.15 -4.00 117.98 113.98 3sga s PHE 46 Ca 0.00 0.35 -0.25 0.00 0.12 0.00 0.00 56.93 57.15 3sga s PHE 46 Cb 0.00 0.05 -0.07 0.00 -0.57 0.00 0.00 43.02 42.43 3sga s PHE 46 CO 0.00 -0.23 0.75 -0.80 -0.10 0.00 0.00 175.22 174.84 3sga s ASN 47 N -0.61 7.32 0.24 1.36 0.01 -1.26 -0.73 114.94 121.27 3sga s ASN 47 Ca -0.07 1.57 -0.01 0.00 -0.71 0.00 0.00 52.86 53.64 3sga s ASN 47 Cb -0.04 -2.48 -0.03 0.00 0.41 0.00 0.00 41.25 39.11 3sga s ASN 47 CO 0.02 0.18 0.22 0.68 -1.51 0.00 0.00 177.10 176.68 3sga s VAL 48 N -0.94 0.00 -0.03 1.60 -7.23 0.85 -2.12 120.40 112.54 3sga s VAL 48 Ca 0.36 -1.91 0.06 0.00 -1.81 0.00 0.00 61.98 58.67 3sga s VAL 48 Cb -0.22 -2.48 -0.01 0.00 0.56 0.00 0.00 36.38 34.23 3sga s VAL 48 CO 0.25 0.00 -0.22 -0.55 -0.31 0.00 0.00 175.10 174.27 3sga s SER 48 N -3.19 2.58 -0.29 4.85 0.15 0.10 -0.69 113.70 117.22 3sga s SER 48 Ca 0.37 -0.41 0.02 0.00 0.70 0.00 0.00 55.95 56.63 3sga s SER 48 Cb 0.05 -0.46 0.08 0.00 -1.71 0.00 0.00 66.02 63.98 3sga s SER 48 CO 0.15 0.24 -0.00 -0.69 1.20 0.00 0.00 173.24 174.14 3sga s VAL 48 N -0.33 1.77 -1.38 4.45 1.01 0.40 -1.02 120.40 125.30 3sga s VAL 48 Ca 0.03 -1.70 -0.05 0.00 0.00 0.00 0.00 61.98 60.27 3sga s VAL 48 Cb -0.10 -2.15 0.03 0.00 0.00 0.00 0.00 36.38 34.16 3sga s VAL 48 CO 0.01 -0.36 0.81 0.59 0.00 0.00 0.00 175.10 176.15 3sga n ASN 48 N 4.52 -2.50 0.00 3.32 4.13 -1.26 -0.76 115.26 122.71 3sga n ASN 48 Ca -0.05 -0.80 0.00 0.00 1.68 0.00 0.00 54.58 55.41 3sga n ASN 48 Cb 0.43 -4.04 0.00 0.00 -1.54 0.00 0.00 39.78 34.63 3sga n ASN 48 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3sga n GLY 48 N -1.63 2.49 3.69 7.41 0.00 -1.26 -5.01 105.19 110.88 3sga n GLY 48 Ca -0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 3sga n GLY 48 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3sga s VAL 49 N -3.14 5.24 -0.01 1.61 1.01 0.06 -5.04 120.40 120.13 3sga s VAL 49 Ca 0.00 0.65 -0.30 0.00 0.00 0.00 0.00 61.98 62.33 3sga s VAL 49 Cb 0.00 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 3sga s VAL 49 CO 0.00 0.30 1.41 0.00 0.00 0.00 0.00 175.10 176.81 3sga s ALA 50 N 1.01 3.59 0.25 5.51 0.00 -1.26 -0.45 121.76 130.40 3sga s ALA 50 Ca 0.18 0.86 0.02 0.00 0.00 0.00 0.00 51.96 53.02 3sga s ALA 50 Cb -0.14 -3.60 -0.04 0.00 0.00 0.00 0.00 23.12 19.34 3sga s ALA 50 CO 0.07 -0.95 0.17 -1.01 0.00 0.00 0.00 175.76 174.04 3sga s HIS 51 N 2.54 1.39 -0.03 0.00 3.76 0.13 -1.88 115.29 121.19 3sga s HIS 51 Ca 0.64 -1.44 0.02 0.00 -0.15 0.00 0.00 55.06 54.13 3sga s HIS 51 Cb -0.31 -0.66 0.01 0.00 1.11 0.00 0.00 32.58 32.73 3sga s HIS 51 CO 0.26 -0.66 -0.06 0.00 -0.85 0.00 0.00 174.74 173.42 3sga s ALA 52 N -3.88 0.71 0.21 -1.40 0.00 0.14 -0.10 121.76 117.44 3sga s ALA 52 Ca 0.39 -0.17 -0.14 0.00 0.00 0.00 0.00 51.96 52.04 3sga s ALA 52 Cb 0.06 -0.34 -0.08 0.00 0.00 0.00 0.00 23.12 22.76 3sga s ALA 52 CO 0.17 0.06 0.60 -0.51 0.00 0.00 0.00 175.76 176.08 3sga s LEU 53 N 0.51 4.24 0.00 0.00 1.02 0.09 -1.56 118.68 122.98 3sga s LEU 53 Ca -0.07 1.10 -0.01 0.00 0.02 0.00 0.00 54.13 55.17 3sga s LEU 53 Cb -0.11 -3.58 0.00 0.00 0.02 0.00 0.00 46.19 42.52 3sga s LEU 53 CO 0.00 -0.02 0.07 1.07 0.02 0.00 0.00 176.35 177.50 3sga n THR 54 N 0.29 0.00 -2.92 5.49 5.66 -0.79 0.02 114.28 122.03 3sga n THR 54 Ca -0.02 -0.18 -0.34 0.00 -3.05 0.00 0.00 64.05 60.47 3sga n THR 54 Cb 0.52 0.13 -0.07 0.00 -1.55 0.00 0.00 70.33 69.36 3sga n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3sga s ALA 55 N -1.50 3.16 0.27 1.79 0.00 -1.26 -1.71 121.76 122.51 3sga s ALA 55 Ca 0.03 0.31 -0.01 0.00 0.00 0.00 0.00 51.96 52.29 3sga s ALA 55 Cb -0.00 -3.03 0.37 0.00 0.00 0.00 0.00 23.12 20.46 3sga s ALA 55 CO 0.02 0.20 1.76 0.78 0.00 0.00 0.00 175.76 178.53 3sga h GLY 56 N 2.27 0.77 2.00 0.00 0.00 -1.58 -1.68 103.07 104.86 3sga h GLY 56 Ca -0.48 -0.53 -0.02 0.00 0.00 0.00 0.00 47.33 46.30 3sga h GLY 56 CO 0.63 0.49 -0.08 0.84 0.00 0.00 0.00 176.54 178.42 3sga h HIS 57 N 0.67 0.00 0.00 5.60 -0.00 -1.86 0.12 115.15 119.67 3sga h HIS 57 Ca 0.13 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.48 3sga h HIS 57 Cb 0.48 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.88 3sga h HIS 57 CO 0.02 0.08 -0.15 0.00 -0.00 0.00 0.00 177.93 177.88 3sga h THR 59 N -1.00 0.41 0.00 0.00 1.35 -1.06 -1.67 112.91 110.93 3sga h THR 59 Ca -0.02 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.83 3sga h THR 59 Cb 0.37 0.94 -0.00 0.00 -1.73 0.00 0.00 68.15 67.73 3sga h THR 59 CO -0.01 0.00 -0.05 0.78 -0.25 0.00 0.00 175.52 175.98 3sga h ASN 62 N 0.00 0.00 -0.19 5.36 4.21 -1.11 -3.06 115.58 120.79 3sga h ASN 62 Ca 0.02 0.00 0.04 0.00 1.21 0.00 0.00 56.30 57.57 3sga h ASN 62 Cb 0.16 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.32 3sga h ASN 62 CO -0.00 0.05 -0.05 0.40 -1.29 0.00 0.00 177.43 176.54 3sga h ILE 63 N 0.00 0.81 -3.22 2.81 2.04 -1.46 -3.47 117.51 115.02 3sga h ILE 63 Ca -0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 3sga h ILE 63 Cb 0.10 0.81 -0.10 0.00 -0.74 0.00 0.00 36.82 36.89 3sga h ILE 63 CO 0.01 0.00 0.08 -0.55 0.00 0.00 0.00 178.15 177.69 3sga s SER 64 N -5.20 -0.31 0.13 1.72 0.15 -1.16 -5.02 113.70 104.00 3sga s SER 64 Ca -0.13 -0.40 0.23 0.00 0.70 0.00 0.00 55.95 56.35 3sga s SER 64 Cb 0.10 0.60 0.20 0.00 -1.71 0.00 0.00 66.02 65.20 3sga s SER 64 CO 0.68 -1.07 1.19 0.00 1.20 0.00 0.00 173.24 175.25 3sga h ALA 65 N 2.15 0.51 -2.97 5.45 0.00 -1.91 -3.45 119.26 119.03 3sga h ALA 65 Ca -0.29 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 53.96 3sga h ALA 65 Cb 1.27 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 18.81 3sga h ALA 65 CO 0.36 0.00 -0.64 0.45 0.00 0.00 0.00 179.25 179.42 3sga s SER 65 N -4.48 4.99 0.28 0.00 0.15 -1.26 -0.60 113.70 112.77 3sga s SER 65 Ca 0.04 -0.40 0.11 0.00 0.70 0.00 0.00 55.95 56.40 3sga s SER 65 Cb 0.12 -1.88 -0.05 0.00 -1.71 0.00 0.00 66.02 62.51 3sga s SER 65 CO 0.75 -0.08 -0.11 0.26 1.20 0.00 0.00 173.24 175.26 3sga s TRP 66 N 1.56 2.46 0.45 3.44 0.52 0.27 -4.60 118.94 123.03 3sga s TRP 66 Ca 0.05 -0.30 0.18 0.00 0.02 0.00 0.00 56.10 56.05 3sga s TRP 66 Cb -0.16 -1.10 1.13 0.00 -1.15 0.00 0.00 33.47 32.20 3sga s TRP 66 CO 0.02 0.67 1.92 0.66 0.02 0.00 0.00 176.95 180.24 3sga h SER 84 N 2.10 0.32 0.19 2.95 4.64 -1.09 -2.25 113.55 120.40 3sga h SER 84 Ca -0.42 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3sga h SER 84 Cb 1.26 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3sga h SER 84 CO 0.61 0.16 -0.53 2.30 -0.87 0.00 0.00 176.83 178.50 3sga n ILE 85 N -4.46 0.00 -2.97 0.95 -5.35 -1.26 -5.01 119.36 101.26 3sga n ILE 85 Ca 0.15 -0.10 0.00 0.00 -0.27 0.00 0.00 62.75 62.52 3sga n ILE 85 Cb 0.58 0.70 0.00 0.00 -1.74 0.00 0.00 39.64 39.18 3sga n ILE 85 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3sga n GLY 86 N 1.43 -0.19 3.66 3.28 0.00 -0.85 -1.22 105.19 111.31 3sga n GLY 86 Ca 0.08 -1.26 -0.35 0.00 0.00 0.00 0.00 46.02 44.50 3sga n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3sga s THR 87 N -3.06 4.61 0.25 2.61 2.01 -0.97 -0.57 115.64 120.51 3sga s THR 87 Ca 0.00 -0.11 -0.30 0.00 0.31 0.00 0.00 61.69 61.59 3sga s THR 87 Cb 0.00 -3.02 -0.10 0.00 0.01 0.00 0.00 72.50 69.39 3sga s THR 87 CO 0.00 0.53 1.47 -0.60 -0.69 0.00 0.00 174.62 175.33 3sga s ARG 88 N -0.19 4.24 0.00 4.92 3.52 0.23 -0.54 118.95 131.14 3sga s ARG 88 Ca 0.07 2.34 0.00 0.00 -0.13 0.00 0.00 55.73 58.01 3sga s ARG 88 Cb -0.12 -3.10 0.00 0.00 -1.56 0.00 0.00 34.95 30.17 3sga s ARG 88 CO 0.02 -0.46 0.66 0.25 -0.81 0.00 0.00 175.30 174.96 3sga n THR 89 N 2.46 0.34 -3.62 4.11 -2.24 0.05 -4.86 114.28 110.52 3sga n THR 89 Ca 0.08 -0.66 -0.06 0.00 -2.27 0.00 0.00 64.05 61.13 3sga n THR 89 Cb 0.40 0.84 -0.05 0.00 -2.10 0.00 0.00 70.33 69.42 3sga n THR 89 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3sga s GLY 90 N -0.34 -0.02 -0.14 3.38 0.00 -1.11 -4.96 107.32 104.13 3sga s GLY 90 Ca 0.00 2.66 -0.22 0.00 0.00 0.00 0.00 44.72 47.17 3sga s GLY 90 CO 0.00 1.34 0.55 -1.08 0.00 0.00 0.00 173.10 173.91 3sga s THR 91 N -0.68 0.01 -0.28 0.90 -1.32 -1.26 -0.86 115.64 112.15 3sga s THR 91 Ca 0.04 -0.08 -0.01 0.00 -1.21 0.00 0.00 61.69 60.43 3sga s THR 91 Cb -0.02 -0.81 0.13 0.00 -1.51 0.00 0.00 72.50 70.29 3sga s THR 91 CO -0.06 -0.04 0.28 -0.55 -2.21 0.00 0.00 174.62 172.04 3sga s SER 93 N -0.34 1.67 -0.27 8.08 0.15 0.41 -4.97 113.70 118.42 3sga s SER 93 Ca -0.05 -0.68 -0.23 0.00 0.70 0.00 0.00 55.95 55.68 3sga s SER 93 Cb -0.03 0.48 0.08 0.00 -1.71 0.00 0.00 66.02 64.84 3sga s SER 93 CO 0.04 -0.38 0.76 0.12 1.20 0.00 0.00 173.24 174.97 3sga s PHE 94 N 2.35 -0.79 0.00 3.44 5.36 -1.26 -2.31 117.98 124.78 3sga s PHE 94 Ca 0.09 1.86 0.00 0.00 -0.96 0.00 0.00 56.93 57.92 3sga s PHE 94 Cb -0.14 0.34 0.00 0.00 -0.34 0.00 0.00 43.02 42.88 3sga s PHE 94 CO -0.30 -0.38 0.00 -0.35 -1.46 0.00 0.00 175.22 172.73 3sga n PRO 99 N 2.90 2.57 0.00 10.12 -0.04 -1.26 -4.96 135.00 144.33 3sga n PRO 99 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 3sga n PRO 99 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 3sga n PRO 99 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 3sga n ASN 100 N 0.00 0.00 -4.77 3.54 5.15 -0.07 -4.75 115.26 114.37 3sga n ASN 100 Ca 0.00 0.00 -0.20 0.00 -0.60 0.00 0.00 54.58 53.78 3sga n ASN 100 Cb 0.00 0.00 0.05 0.00 -0.53 0.00 0.00 39.78 39.30 3sga n ASN 100 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3sga n ASN 101 N 3.96 2.21 -2.98 1.20 4.13 -1.26 -1.47 115.26 121.04 3sga n ASN 101 Ca 0.00 -2.56 -0.16 0.00 1.68 0.00 0.00 54.58 53.53 3sga n ASN 101 Cb 0.00 -0.30 -0.01 0.00 -1.54 0.00 0.00 39.78 37.93 3sga n ASN 101 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 3sga n ASP 102 N -2.21 -1.20 -3.88 6.41 4.64 -1.17 -4.10 116.55 115.04 3sga n ASP 102 Ca 0.10 -3.02 -0.09 0.00 -1.38 0.00 0.00 54.79 50.40 3sga n ASP 102 Cb 0.58 0.52 -0.08 0.00 -1.04 0.00 0.00 41.12 41.10 3sga n ASP 102 CO 0.00 0.00 0.00 -0.72 -0.82 0.00 0.00 177.20 175.66 3sga s TYR 103 N -0.40 0.15 0.22 -0.67 -0.00 -0.98 -3.44 117.35 112.23 3sga s TYR 103 Ca 0.33 -0.47 -0.19 0.00 -0.00 0.00 0.00 57.07 56.75 3sga s TYR 103 Cb 0.21 -0.09 0.03 0.00 -0.00 0.00 0.00 41.96 42.11 3sga s TYR 103 CO -0.16 -0.44 0.59 0.20 -0.00 0.00 0.00 175.55 175.73 3sga s GLY 104 N -2.37 -0.13 -0.04 5.49 0.00 -0.69 -0.45 107.32 109.14 3sga s GLY 104 Ca -0.01 -0.19 -0.06 0.00 0.00 0.00 0.00 44.72 44.45 3sga s GLY 104 CO -0.06 -0.18 0.16 -1.50 0.00 0.00 0.00 173.10 171.52 3sga s ILE 105 N -3.88 0.03 -0.07 0.90 2.07 -0.04 -1.88 121.20 118.33 3sga s ILE 105 Ca 0.09 -0.22 0.02 0.00 -1.41 0.00 0.00 60.65 59.14 3sga s ILE 105 Cb -0.02 -0.31 0.01 0.00 0.13 0.00 0.00 42.46 42.27 3sga s ILE 105 CO -0.01 -0.12 -0.13 -0.63 -1.91 0.00 0.00 174.94 172.14 3sga s ILE 106 N -0.38 1.21 -0.03 2.00 1.01 -0.60 -0.77 121.20 123.64 3sga s ILE 106 Ca -0.05 -0.51 -0.26 0.00 0.00 0.00 0.00 60.65 59.83 3sga s ILE 106 Cb -0.03 -1.11 -0.03 0.00 0.01 0.00 0.00 42.46 41.29 3sga s ILE 106 CO 0.01 0.38 0.82 -0.60 0.00 0.00 0.00 174.94 175.54 3sga s ARG 107 N 0.75 4.49 0.27 2.79 3.52 0.30 0.24 118.95 131.32 3sga s ARG 107 Ca -0.13 1.12 -0.29 0.00 -0.13 0.00 0.00 55.73 56.30 3sga s ARG 107 Cb -0.16 -3.45 -0.10 0.00 -1.56 0.00 0.00 34.95 29.69 3sga s ARG 107 CO 0.03 0.03 1.23 -1.01 -0.81 0.00 0.00 175.30 174.76 3sga s HIS 108 N 0.85 3.30 0.24 5.12 3.76 -0.79 -2.30 115.29 125.47 3sga s HIS 108 Ca 0.44 1.47 0.07 0.00 -0.15 0.00 0.00 55.06 56.88 3sga s HIS 108 Cb -0.19 -3.52 0.26 0.00 1.11 0.00 0.00 32.58 30.24 3sga s HIS 108 CO 0.23 -1.39 1.56 0.77 -0.85 0.00 0.00 174.74 175.06 3sga h SER 109 N 4.11 0.15 -3.74 1.40 0.02 -1.51 -3.39 113.55 110.58 3sga h SER 109 Ca -0.47 -0.09 -0.64 0.00 -0.84 0.00 0.00 61.79 59.75 3sga h SER 109 Cb 1.22 -0.05 -0.40 0.00 0.14 0.00 0.00 62.40 63.31 3sga h SER 109 CO 0.69 0.76 -0.71 0.21 -1.14 0.00 0.00 176.83 176.64 3sga s ASN 110 N -6.88 4.48 0.62 3.07 2.47 -1.26 -4.99 114.94 112.46 3sga s ASN 110 Ca -0.03 -2.29 0.32 0.00 0.42 0.00 0.00 52.86 51.28 3sga s ASN 110 Cb 0.12 -1.47 1.80 0.00 -1.45 0.00 0.00 41.25 40.25 3sga s ASN 110 CO 0.79 -0.35 2.12 1.55 -3.72 0.00 0.00 177.10 177.49 3sga h PRO 111 N 7.39 0.00 0.00 0.43 0.13 -1.93 -0.14 132.00 137.87 3sga h PRO 111 Ca -0.06 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.07 3sga h PRO 111 Cb 0.99 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.11 3sga h PRO 111 CO 0.55 0.00 -0.02 0.00 -0.23 0.00 0.00 178.00 178.30 3sga h ALA 112 N 1.73 1.02 0.00 -0.56 0.00 -1.97 -2.56 119.26 116.91 3sga h ALA 112 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3sga h ALA 112 Cb 0.44 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3sga h ALA 112 CO -0.00 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.27 3sga n ALA 113 N -2.11 2.27 -2.25 0.00 0.00 -0.07 -4.65 120.51 113.70 3sga n ALA 113 Ca -0.00 -0.08 -0.35 0.00 0.00 0.00 0.00 53.44 53.00 3sga n ALA 113 Cb 0.25 -1.45 -0.03 0.00 0.00 0.00 0.00 19.45 18.21 3sga n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3sga n ALA 114 N -1.56 2.70 -2.56 0.00 0.00 -0.97 -1.67 120.51 116.45 3sga n ALA 114 Ca 0.06 -3.41 -0.43 0.00 0.00 0.00 0.00 53.44 49.67 3sga n ALA 114 Cb 0.35 -3.54 -0.02 0.00 0.00 0.00 0.00 19.45 16.23 3sga n ALA 114 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3sga s ASP 115 N 5.38 6.70 0.00 0.00 -1.08 -1.21 -4.95 116.67 121.51 3sga s ASP 115 Ca 0.61 0.78 -0.04 0.00 -0.52 0.00 0.00 52.55 53.38 3sga s ASP 115 Cb 0.02 -2.55 -0.19 0.00 -1.46 0.00 0.00 42.92 38.75 3sga s ASP 115 CO 0.11 -1.14 2.93 0.61 0.52 0.00 0.00 175.17 178.19 3sga n GLY 116 N 4.51 2.65 3.27 2.66 0.00 -1.26 -4.51 105.19 112.51 3sga n GLY 116 Ca 0.13 -0.83 -0.17 0.00 0.00 0.00 0.00 46.02 45.15 3sga n GLY 116 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3sga s ARG 117 N 1.02 1.58 -0.08 1.61 0.52 -1.26 -1.81 118.95 120.53 3sga s ARG 117 Ca 0.46 -1.87 0.05 0.00 -0.52 0.00 0.00 55.73 53.85 3sga s ARG 117 Cb 0.22 0.32 -0.00 0.00 0.52 0.00 0.00 34.95 36.00 3sga s ARG 117 CO 0.00 -0.57 -0.23 0.08 0.02 0.00 0.00 175.30 174.59 3sga s VAL 118 N -3.67 1.97 0.00 3.52 1.01 0.55 0.06 120.40 123.84 3sga s VAL 118 Ca 0.39 -0.99 -0.30 0.00 0.00 0.00 0.00 61.98 61.09 3sga s VAL 118 Cb 0.04 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 3sga s VAL 118 CO 0.22 0.54 0.98 -0.47 0.00 0.00 0.00 175.10 176.37 3sga s TYR 119 N 0.14 3.66 -2.57 5.22 5.04 -0.21 0.07 117.35 128.70 3sga s TYR 119 Ca -0.12 1.70 0.27 0.00 -2.44 0.00 0.00 57.07 56.48 3sga s TYR 119 Cb -0.16 -3.12 0.90 0.00 0.35 0.00 0.00 41.96 39.94 3sga s TYR 119 CO 0.06 -0.01 1.66 1.28 -1.34 0.00 0.00 175.55 177.20 3sga n LEU 120 N 3.88 1.75 -2.16 6.97 4.77 -0.28 -4.83 117.00 127.10 3sga n LEU 120 Ca 0.06 -0.59 -0.18 0.00 -0.03 0.00 0.00 56.01 55.27 3sga n LEU 120 Cb 0.51 -0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.59 3sga n LEU 120 CO 0.52 0.29 -0.19 -1.22 -1.33 0.00 0.00 177.39 175.46 3sga n TYR 120 N 0.37 -1.00 -2.28 -1.77 4.01 -1.26 -4.52 117.16 110.71 3sga n TYR 120 Ca 0.18 0.08 0.01 0.00 -0.16 0.00 0.00 57.90 58.01 3sga n TYR 120 Cb 0.39 -3.66 0.00 0.00 -0.31 0.00 0.00 39.34 35.77 3sga n TYR 120 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 3sga n ASN 120 N -1.54 0.40 0.00 7.72 0.23 -1.26 -4.93 115.26 115.88 3sga n ASN 120 Ca -0.20 -1.94 0.00 0.00 -0.53 0.00 0.00 54.58 51.92 3sga n ASN 120 Cb 0.65 -0.17 0.00 0.00 -2.08 0.00 0.00 39.78 38.19 3sga n ASN 120 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3sga n GLY 120 N 0.28 0.94 3.61 4.83 0.00 -1.26 -5.01 105.19 108.58 3sga n GLY 120 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 3sga n GLY 120 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3sga s SER 120 N -2.90 3.91 0.05 1.61 0.15 -1.26 -5.05 113.70 110.20 3sga s SER 120 Ca 0.00 -1.29 0.01 0.00 0.70 0.00 0.00 55.95 55.38 3sga s SER 120 Cb 0.00 -0.40 -0.03 0.00 -1.71 0.00 0.00 66.02 63.88 3sga s SER 120 CO 0.00 -0.39 -0.06 -0.31 1.20 0.00 0.00 173.24 173.68 3sga s TYR 121 N -2.67 0.62 -0.20 3.44 1.51 -1.26 -1.13 117.35 117.67 3sga s TYR 121 Ca 0.35 -0.64 -0.07 0.00 -1.01 0.00 0.00 57.07 55.69 3sga s TYR 121 Cb 0.07 -0.38 -0.04 0.00 -0.11 0.00 0.00 41.96 41.50 3sga s TYR 121 CO 0.18 -0.15 0.06 -1.14 -1.11 0.00 0.00 175.55 173.40 3sga s GLN 122 N -2.23 3.88 0.30 -0.62 2.00 0.11 -4.92 119.66 118.18 3sga s GLN 122 Ca -0.05 -0.39 -0.27 0.00 -2.00 0.00 0.00 55.36 52.65 3sga s GLN 122 Cb -0.05 -3.24 -0.10 0.00 0.80 0.00 0.00 33.01 30.43 3sga s GLN 122 CO -0.02 0.15 0.96 0.34 -0.50 0.00 0.00 175.29 176.22 3sga s ASP 123 N 0.70 7.41 -0.11 6.67 2.15 -1.26 -0.33 116.67 131.90 3sga s ASP 123 Ca 0.03 1.90 -0.01 0.00 0.43 0.00 0.00 52.55 54.90 3sga s ASP 123 Cb -0.13 -2.59 -0.03 0.00 -0.30 0.00 0.00 42.92 39.87 3sga s ASP 123 CO 0.02 -0.02 -0.06 -0.63 -0.17 0.00 0.00 175.17 174.30 3sga s ILE 124 N -1.46 3.69 0.00 4.11 -1.09 -0.75 -4.01 121.20 121.70 3sga s ILE 124 Ca 0.47 -0.45 0.00 0.00 -2.23 0.00 0.00 60.65 58.44 3sga s ILE 124 Cb -0.22 -2.56 0.00 0.00 -1.58 0.00 0.00 42.46 38.10 3sga s ILE 124 CO 0.27 0.55 0.00 0.35 -1.23 0.00 0.00 174.94 174.88 3sga n THR 125 N 2.93 0.00 -4.22 2.92 -2.24 0.12 -4.80 114.28 108.99 3sga n THR 125 Ca -0.18 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.44 3sga n THR 125 Cb 0.53 -0.55 -0.08 0.00 -2.10 0.00 0.00 70.33 68.13 3sga n THR 125 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3sga s THR 126 N -1.70 0.00 0.05 4.28 -1.32 -0.98 -4.93 115.64 111.04 3sga s THR 126 Ca 0.00 -1.92 0.08 0.00 -1.21 0.00 0.00 61.69 58.64 3sga s THR 126 Cb 0.00 -2.51 -0.03 0.00 -1.51 0.00 0.00 72.50 68.45 3sga s THR 126 CO 0.00 0.00 -0.21 0.00 -2.21 0.00 0.00 174.62 172.20 3sga s ALA 127 N -3.66 2.47 0.12 11.08 0.00 -1.26 -0.57 121.76 129.94 3sga s ALA 127 Ca 0.38 -1.23 0.01 0.00 0.00 0.00 0.00 51.96 51.12 3sga s ALA 127 Cb 0.03 -0.63 -0.00 0.00 0.00 0.00 0.00 23.12 22.52 3sga s ALA 127 CO 0.21 0.56 0.14 0.41 0.00 0.00 0.00 175.76 177.07 3sga n GLY 128 N 1.59 3.22 3.61 0.00 0.00 0.90 -4.84 105.19 109.66 3sga n GLY 128 Ca -0.16 -1.60 -0.34 0.00 0.00 0.00 0.00 46.02 43.92 3sga n GLY 128 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3sga s ASN 129 N -1.79 4.80 0.62 1.61 0.01 -1.26 -4.54 114.94 114.40 3sga s ASN 129 Ca 0.12 -0.01 -0.13 0.00 -0.71 0.00 0.00 52.86 52.12 3sga s ASN 129 Cb 0.00 -1.22 -0.03 0.00 0.41 0.00 0.00 41.25 40.41 3sga s ASN 129 CO 0.09 0.34 1.04 0.00 -1.51 0.00 0.00 177.10 177.06 3sga s ALA 130 N -0.89 2.84 0.03 0.60 0.00 -1.26 -5.09 121.76 117.99 3sga s ALA 130 Ca 0.14 0.16 0.03 0.00 0.00 0.00 0.00 51.96 52.29 3sga s ALA 130 Cb -0.11 -3.17 -0.02 0.00 0.00 0.00 0.00 23.12 19.82 3sga s ALA 130 CO 0.04 -0.83 -0.08 -0.59 0.00 0.00 0.00 175.76 174.29 3sga s PHE 131 N -2.82 0.73 0.16 0.00 -0.71 -1.26 -5.09 117.98 108.99 3sga s PHE 131 Ca 0.59 -0.38 -0.32 0.00 -1.04 0.00 0.00 56.93 55.79 3sga s PHE 131 Cb -0.13 -0.44 -0.11 0.00 -1.21 0.00 0.00 43.02 41.13 3sga s PHE 131 CO 0.45 -0.04 1.68 0.08 -1.34 0.00 0.00 175.22 176.05 3sga s VAL 132 N -1.00 2.44 0.00 -2.49 1.01 -1.26 -1.48 120.40 117.61 3sga s VAL 132 Ca -0.05 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.15 3sga s VAL 132 Cb -0.08 -3.14 0.00 0.00 0.00 0.00 0.00 36.38 33.16 3sga s VAL 132 CO 0.00 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.73 3sga n GLY 133 N 3.95 0.66 3.75 4.51 0.00 0.05 -5.00 105.19 113.12 3sga n GLY 133 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3sga n GLY 133 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3sga s GLN 134 N -0.75 4.51 -0.14 1.61 0.74 -0.55 -4.76 119.66 120.32 3sga s GLN 134 Ca 0.00 1.91 -0.29 0.00 0.05 0.00 0.00 55.36 57.03 3sga s GLN 134 Cb 0.00 -3.20 -0.02 0.00 1.10 0.00 0.00 33.01 30.89 3sga s GLN 134 CO 0.00 -0.04 1.21 0.00 -0.55 0.00 0.00 175.29 175.91 3sga s ALA 135 N -0.44 3.61 0.25 1.58 0.00 -1.26 -1.82 121.76 123.67 3sga s ALA 135 Ca 0.51 0.46 0.02 0.00 0.00 0.00 0.00 51.96 52.95 3sga s ALA 135 Cb -0.34 -3.57 -0.05 0.00 0.00 0.00 0.00 23.12 19.16 3sga s ALA 135 CO 0.40 -1.02 0.07 0.14 0.00 0.00 0.00 175.76 175.35 3sga s VAL 136 N 3.04 0.64 0.07 0.00 -7.23 -0.45 -4.77 120.40 111.71 3sga s VAL 136 Ca 0.53 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.75 3sga s VAL 136 Cb -0.22 -2.54 -0.03 0.00 0.56 0.00 0.00 36.38 34.15 3sga s VAL 136 CO 0.16 -0.10 -0.11 -1.10 -0.31 0.00 0.00 175.10 173.63 3sga s GLN 137 N -4.00 0.76 -0.01 4.82 -0.21 -0.41 -1.76 119.66 118.87 3sga s GLN 137 Ca 0.35 -0.98 0.03 0.00 0.02 0.00 0.00 55.36 54.78 3sga s GLN 137 Cb 0.07 -0.61 -0.01 0.00 1.00 0.00 0.00 33.01 33.46 3sga s GLN 137 CO 0.12 0.12 -0.11 0.50 -2.12 0.00 0.00 175.29 173.80 3sga s ARG 138 N -2.05 0.90 -0.07 2.91 3.52 0.62 -1.27 118.95 123.52 3sga s ARG 138 Ca -0.01 -0.41 0.04 0.00 -0.13 0.00 0.00 55.73 55.22 3sga s ARG 138 Cb -0.08 -0.87 -0.00 0.00 -1.56 0.00 0.00 34.95 32.44 3sga s ARG 138 CO 0.01 0.24 -0.20 0.45 -0.81 0.00 0.00 175.30 174.99 3sga s SER 139 N -0.29 2.54 0.05 -2.12 0.15 -0.67 -1.39 113.70 111.97 3sga s SER 139 Ca 0.04 -0.43 -0.23 0.00 0.70 0.00 0.00 55.95 56.03 3sga s SER 139 Cb -0.04 -0.93 0.06 0.00 -1.71 0.00 0.00 66.02 63.39 3sga s SER 139 CO -0.00 0.15 0.54 -0.83 1.20 0.00 0.00 173.24 174.30 3sga s GLY 140 N 0.21 -0.46 0.06 9.45 0.00 0.97 -2.62 107.32 114.93 3sga s GLY 140 Ca -0.10 0.64 0.17 0.00 0.00 0.00 0.00 44.72 45.42 3sga s GLY 140 CO 0.05 0.33 1.53 -1.14 0.00 0.00 0.00 173.10 173.86 3sga n SER 141 N 0.34 0.16 -0.10 1.64 3.41 -0.87 0.03 113.62 118.23 3sga n SER 141 Ca -0.18 0.54 -0.16 0.00 -0.26 0.00 0.00 58.87 58.80 3sga n SER 141 Cb 0.61 -0.57 -0.06 0.00 -0.26 0.00 0.00 64.21 63.92 3sga n SER 141 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3sga n THR 142 N -1.67 1.49 1.03 6.66 -1.04 -1.26 -4.63 114.28 114.86 3sga n THR 142 Ca 0.03 -0.01 0.12 0.00 -2.04 0.00 0.00 64.05 62.15 3sga n THR 142 Cb 0.19 -2.17 0.09 0.00 -1.82 0.00 0.00 70.33 66.62 3sga n THR 142 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3sga n THR 143 N -4.44 0.00 -0.15 12.58 -2.24 -1.25 -5.07 114.28 113.71 3sga n THR 143 Ca -0.27 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 3sga n THR 143 Cb 0.59 1.32 0.00 0.00 -2.10 0.00 0.00 70.33 70.14 3sga n THR 143 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3sga n GLY 156 N 1.37 1.09 3.64 3.38 0.00 0.10 -4.76 105.19 110.01 3sga n GLY 156 Ca 0.12 -0.56 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 3sga n GLY 156 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3sga s LEU 157 N 0.00 3.69 0.04 0.99 2.96 -1.26 -0.02 118.68 125.08 3sga s LEU 157 Ca 0.00 0.08 0.00 0.00 -0.22 0.00 0.00 54.13 53.99 3sga s LEU 157 Cb 0.00 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 44.76 3sga s LEU 157 CO 0.00 0.24 -0.04 -0.13 -1.32 0.00 0.00 176.35 175.10 3sga s ARG 158 N -0.02 0.52 0.25 1.98 1.81 -0.48 -4.99 118.95 118.02 3sga s ARG 158 Ca 0.05 -0.95 0.05 0.00 -1.72 0.00 0.00 55.73 53.15 3sga s ARG 158 Cb -0.12 0.05 -0.05 0.00 -0.45 0.00 0.00 34.95 34.37 3sga s ARG 158 CO 0.01 -0.05 -0.03 -1.54 -0.68 0.00 0.00 175.30 173.01 3sga s SER 159 N -2.23 2.23 0.00 0.23 1.04 -1.26 -0.28 113.70 113.43 3sga s SER 159 Ca -0.03 -1.20 0.00 0.00 0.48 0.00 0.00 55.95 55.20 3sga s SER 159 Cb -0.01 -0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.04 3sga s SER 159 CO -0.05 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 174.35 3sga n GLY 160 N -0.48 -0.78 3.26 7.32 0.00 -0.72 -4.72 105.19 109.06 3sga n GLY 160 Ca -0.05 -0.31 -0.09 0.00 0.00 0.00 0.00 46.02 45.56 3sga n GLY 160 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3sga s SER 161 N -4.00 -0.03 -0.05 1.61 1.04 -1.26 -1.35 113.70 109.67 3sga s SER 161 Ca 0.00 -0.53 -0.30 0.00 0.48 0.00 0.00 55.95 55.60 3sga s SER 161 Cb 0.00 0.40 -0.03 0.00 0.10 0.00 0.00 66.02 66.50 3sga s SER 161 CO 0.00 -0.80 1.07 -0.69 0.98 0.00 0.00 173.24 173.81 3sga s VAL 162 N -3.85 4.58 -0.37 5.02 1.01 -0.76 -2.15 120.40 123.89 3sga s VAL 162 Ca 0.05 1.86 0.08 0.00 0.00 0.00 0.00 61.98 63.97 3sga s VAL 162 Cb 0.03 -4.19 -0.09 0.00 0.00 0.00 0.00 36.38 32.13 3sga s VAL 162 CO -0.10 0.06 0.35 0.35 0.00 0.00 0.00 175.10 175.75 3sga n THR 163 N 4.32 0.00 -3.52 3.92 -2.24 0.15 -0.77 114.28 116.15 3sga n THR 163 Ca 0.09 -0.30 -0.09 0.00 -2.27 0.00 0.00 64.05 61.48 3sga n THR 163 Cb 0.48 0.96 -0.03 0.00 -2.10 0.00 0.00 70.33 69.65 3sga n THR 163 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3sga s GLY 164 N -1.86 -0.43 0.18 3.38 0.00 -1.04 -4.96 107.32 102.59 3sga s GLY 164 Ca 0.03 1.22 0.07 0.00 0.00 0.00 0.00 44.72 46.04 3sga s GLY 164 CO 0.34 0.49 -0.13 1.08 0.00 0.00 0.00 173.10 174.88 3sga s LEU 165 N -2.18 2.54 -1.58 0.66 1.43 -1.26 0.25 118.68 118.53 3sga s LEU 165 Ca 0.03 -1.00 -0.14 0.00 -1.03 0.00 0.00 54.13 51.99 3sga s LEU 165 Cb -0.01 -0.58 0.10 0.00 0.03 0.00 0.00 46.19 45.74 3sga s LEU 165 CO -0.06 -0.21 0.87 -3.20 0.23 0.00 0.00 176.35 173.98 3sga n ASN 166 N -0.25 -3.88 -4.77 2.29 4.05 -0.76 -4.90 115.26 107.04 3sga n ASN 166 Ca -0.09 -0.88 -0.39 0.00 0.45 0.00 0.00 54.58 53.67 3sga n ASN 166 Cb 0.60 -3.44 -0.06 0.00 1.23 0.00 0.00 39.78 38.11 3sga n ASN 166 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3sga s ALA 167 N -3.35 3.36 -0.15 5.20 0.00 0.45 -4.39 121.76 122.88 3sga s ALA 167 Ca 0.63 0.47 -0.17 0.00 0.00 0.00 0.00 51.96 52.89 3sga s ALA 167 Cb -0.33 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 3sga s ALA 167 CO 0.87 0.24 0.46 0.99 0.00 0.00 0.00 175.76 178.32 3sga s THR 168 N -1.28 5.18 -0.15 0.00 2.01 -1.26 -1.57 115.64 118.57 3sga s THR 168 Ca 0.41 0.88 0.00 0.00 0.31 0.00 0.00 61.69 63.29 3sga s THR 168 Cb -0.23 -3.79 0.02 0.00 0.01 0.00 0.00 72.50 68.51 3sga s THR 168 CO 0.28 0.29 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.66 3sga s VAL 169 N 0.94 1.62 -0.40 3.82 1.01 0.52 -5.00 120.40 122.91 3sga s VAL 169 Ca 0.24 -0.66 -0.17 0.00 0.00 0.00 0.00 61.98 61.38 3sga s VAL 169 Cb -0.15 -1.51 0.01 0.00 0.00 0.00 0.00 36.38 34.73 3sga s VAL 169 CO 0.09 0.47 0.44 0.21 0.00 0.00 0.00 175.10 176.30 3sga s ASN 170 N 1.46 6.21 -0.23 3.32 3.84 -1.26 -0.50 114.94 127.77 3sga s ASN 170 Ca 0.05 -0.49 0.12 0.00 0.21 0.00 0.00 52.86 52.75 3sga s ASN 170 Cb -0.13 -2.23 0.75 0.00 -0.55 0.00 0.00 41.25 39.09 3sga s ASN 170 CO -0.11 -0.52 1.67 -1.22 -2.79 0.00 0.00 177.10 174.12 3sga n TYR 171 N 5.60 1.99 0.00 0.43 0.53 0.50 -5.00 117.16 121.21 3sga n TYR 171 Ca -0.07 -0.75 0.00 0.00 -1.02 0.00 0.00 57.90 56.06 3sga n TYR 171 Cb 0.48 -0.51 0.00 0.00 -1.03 0.00 0.00 39.34 38.28 3sga n TYR 171 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3sga n GLY 172 N 0.46 4.19 0.32 2.72 0.00 -1.25 -2.23 105.19 109.40 3sga n GLY 172 Ca 0.28 0.09 0.16 0.00 0.00 0.00 0.00 46.02 46.55 3sga n GLY 172 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3sga h SER 173 N 0.00 0.00 1.13 1.61 4.64 -2.05 -0.66 113.55 118.22 3sga h SER 173 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3sga h SER 173 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3sga h SER 173 CO 0.00 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.76 3sga n SER 174 N -3.85 0.39 0.00 4.97 7.64 -0.95 -5.04 113.62 116.78 3sga n SER 174 Ca -0.00 0.54 0.00 0.00 1.01 0.00 0.00 58.87 60.42 3sga n SER 174 Cb 0.23 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 62.78 3sga n SER 174 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3sga n GLY 175 N 1.17 -2.83 3.50 0.23 0.00 -0.26 -4.63 105.19 102.36 3sga n GLY 175 Ca 0.06 -2.15 -0.33 0.00 0.00 0.00 0.00 46.02 43.59 3sga n GLY 175 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3sga s ILE 176 N -0.77 3.33 0.03 -0.61 1.09 -1.26 -0.37 121.20 122.64 3sga s ILE 176 Ca 0.00 -0.61 0.06 0.00 -1.10 0.00 0.00 60.65 59.00 3sga s ILE 176 Cb 0.00 -2.35 -0.03 0.00 -1.06 0.00 0.00 42.46 39.02 3sga s ILE 176 CO 0.00 0.58 -0.15 0.68 -0.10 0.00 0.00 174.94 175.95 3sga s VAL 177 N -0.53 3.00 0.24 2.92 -7.23 0.34 -0.89 120.40 118.25 3sga s VAL 177 Ca 0.07 -1.06 0.11 0.00 -1.81 0.00 0.00 61.98 59.30 3sga s VAL 177 Cb -0.12 -2.27 -0.05 0.00 0.56 0.00 0.00 36.38 34.51 3sga s VAL 177 CO 0.02 0.37 -0.19 -0.31 -0.31 0.00 0.00 175.10 174.67 3sga s TYR 178 N -0.93 2.35 -1.22 2.82 1.51 -0.54 -0.35 117.35 120.99 3sga s TYR 178 Ca 0.15 -0.33 -0.04 0.00 -1.01 0.00 0.00 57.07 55.84 3sga s TYR 178 Cb -0.11 -1.08 0.00 0.00 -0.11 0.00 0.00 41.96 40.67 3sga s TYR 178 CO 0.06 0.62 0.59 0.41 -1.11 0.00 0.00 175.55 176.11 3sga n GLY 179 N -0.26 -0.27 3.83 0.71 0.00 -1.11 -4.80 105.19 103.29 3sga n GLY 179 Ca -0.08 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 3sga n GLY 179 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3sga s MET 180 N -5.59 4.09 0.22 1.61 -1.94 -0.61 -4.35 119.30 112.74 3sga s MET 180 Ca 0.29 0.68 -0.30 0.00 -1.71 0.00 0.00 55.69 54.65 3sga s MET 180 Cb -0.13 -2.77 -0.08 0.00 2.01 0.00 0.00 34.83 33.86 3sga s MET 180 CO 0.36 0.35 0.96 0.42 -0.01 0.00 0.00 175.02 177.10 3sga s ILE 181 N -1.64 4.10 -0.06 2.53 1.01 -0.17 -0.41 121.20 126.56 3sga s ILE 181 Ca 0.45 2.04 0.03 0.00 0.00 0.00 0.00 60.65 63.16 3sga s ILE 181 Cb -0.14 -4.30 -0.02 0.00 0.01 0.00 0.00 42.46 38.01 3sga s ILE 181 CO 0.20 0.46 -0.14 -1.58 0.00 0.00 0.00 174.94 173.87 3sga s GLN 182 N -0.99 2.67 0.13 2.79 0.74 0.14 -0.81 119.66 124.32 3sga s GLN 182 Ca 0.42 -0.70 -0.01 0.00 0.05 0.00 0.00 55.36 55.12 3sga s GLN 182 Cb -0.26 -2.42 -0.04 0.00 1.10 0.00 0.00 33.01 31.39 3sga s GLN 182 CO 0.32 0.54 0.05 0.95 -0.55 0.00 0.00 175.29 176.60 3sga s THR 183 N -0.51 0.11 -0.36 -0.34 -4.23 0.22 -0.67 115.64 109.87 3sga s THR 183 Ca 0.07 -1.91 0.08 0.00 -1.18 0.00 0.00 61.69 58.75 3sga s THR 183 Cb -0.12 -2.02 0.74 0.00 1.34 0.00 0.00 72.50 72.44 3sga s THR 183 CO 0.02 -0.49 1.85 -0.46 -0.54 0.00 0.00 174.62 174.99 3sga n ASN 184 N -0.08 4.61 -4.80 3.99 0.23 -0.91 -1.43 115.26 116.86 3sga n ASN 184 Ca -0.06 -3.33 -0.38 0.00 -0.53 0.00 0.00 54.58 50.28 3sga n ASN 184 Cb 0.64 -0.77 -0.06 0.00 -2.08 0.00 0.00 39.78 37.50 3sga n ASN 184 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 3sga s VAL 190 N -3.08 4.95 0.66 3.53 1.01 -1.26 -4.73 120.40 121.49 3sga s VAL 190 Ca 0.56 1.02 -0.11 0.00 0.00 0.00 0.00 61.98 63.45 3sga s VAL 190 Cb 0.45 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 3sga s VAL 190 CO 0.13 0.51 1.05 0.00 0.00 0.00 0.00 175.10 176.79 3sga s ALA 192 N -3.12 -1.52 0.16 0.00 0.00 -1.26 -4.93 121.76 111.08 3sga s ALA 192 Ca 0.56 0.33 -0.00 0.00 0.00 0.00 0.00 51.96 52.85 3sga s ALA 192 Cb -0.12 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.81 3sga s ALA 192 CO 0.54 -0.83 0.05 -0.65 0.00 0.00 0.00 175.76 174.88 3sga s GLN 192 N -3.76 1.04 0.19 0.00 -0.21 -1.26 -4.36 119.66 111.30 3sga s GLN 192 Ca 0.03 -1.51 -0.33 0.00 0.02 0.00 0.00 55.36 53.58 3sga s GLN 192 Cb -0.02 0.07 -0.14 0.00 1.00 0.00 0.00 33.01 33.92 3sga s GLN 192 CO -0.08 -0.24 1.36 -2.30 -2.12 0.00 0.00 175.29 171.91 3sga n PRO 192 N -0.18 1.74 0.00 2.91 -0.02 -1.26 -1.10 135.00 137.09 3sga n PRO 192 Ca -0.05 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3sga n PRO 192 Cb 0.64 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 3sga n PRO 192 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3sga n GLY 193 N 2.35 2.60 0.13 -1.23 0.00 -1.26 -4.76 105.19 103.03 3sga n GLY 193 Ca 0.14 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.29 3sga n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3sga h ASP 194 N 0.33 0.00 -3.59 1.61 3.45 -1.44 -3.25 116.42 113.53 3sga h ASP 194 Ca 0.00 0.00 -0.56 0.00 0.43 0.00 0.00 57.03 56.90 3sga h ASP 194 Cb 0.00 0.00 0.12 0.00 -0.56 0.00 0.00 39.33 38.89 3sga h ASP 194 CO 0.00 0.00 0.52 -1.20 -1.57 0.00 0.00 179.24 176.99 3sga n SER 195 N -2.40 2.68 0.00 6.45 7.64 -1.26 -2.17 113.62 124.56 3sga n SER 195 Ca 0.04 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.04 3sga n SER 195 Cb 0.39 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.07 3sga n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3sga n GLY 196 N 0.77 2.59 3.60 0.23 0.00 0.70 -0.16 105.19 112.92 3sga n GLY 196 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 3sga n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3sga s GLY 197 N -1.98 1.58 0.11 -0.02 0.00 -0.92 -1.53 107.32 104.56 3sga s GLY 197 Ca 0.00 -0.09 -0.30 0.00 0.00 0.00 0.00 44.72 44.32 3sga s GLY 197 CO 0.00 0.52 1.15 -0.56 0.00 0.00 0.00 173.10 174.21 3sga s SER 198 N -2.95 7.16 -0.17 1.64 0.01 -1.08 -1.06 113.70 117.25 3sga s SER 198 Ca 0.66 2.05 -0.01 0.00 1.31 0.00 0.00 55.95 59.96 3sga s SER 198 Cb -0.22 -2.59 -0.00 0.00 0.21 0.00 0.00 66.02 63.42 3sga s SER 198 CO 0.61 -0.36 -0.13 -0.22 0.41 0.00 0.00 173.24 173.55 3sga s LEU 199 N 0.41 2.60 0.23 2.44 2.96 -0.10 -1.67 118.68 125.56 3sga s LEU 199 Ca 0.54 -0.44 -0.12 0.00 -0.22 0.00 0.00 54.13 53.90 3sga s LEU 199 Cb -0.29 -1.61 -0.01 0.00 0.50 0.00 0.00 46.19 44.78 3sga s LEU 199 CO 0.32 0.07 0.44 0.72 -1.32 0.00 0.00 176.35 176.58 3sga s PHE 200 N 0.92 0.41 -0.30 5.38 -0.12 -0.39 -0.89 117.98 122.98 3sga s PHE 200 Ca -0.03 -0.76 -0.03 0.00 -0.05 0.00 0.00 56.93 56.06 3sga s PHE 200 Cb -0.15 0.12 0.11 0.00 -0.63 0.00 0.00 43.02 42.47 3sga s PHE 200 CO -0.01 -0.94 0.16 0.00 -0.05 0.00 0.00 175.22 174.38 3sga s ALA 201 N -4.02 0.59 0.00 1.99 0.00 -0.35 -1.28 121.76 118.69 3sga s ALA 201 Ca 0.23 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 50.99 3sga s ALA 201 Cb 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.65 3sga s ALA 201 CO 0.08 -1.76 0.00 0.41 0.00 0.00 0.00 175.76 174.49 3sga n GLY 202 N 4.99 1.99 0.82 0.00 0.00 -1.26 -2.10 105.19 109.64 3sga n GLY 202 Ca -0.02 -0.49 0.05 0.00 0.00 0.00 0.00 46.02 45.56 3sga n GLY 202 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3sga n SER 207 N 4.06 2.33 -4.45 1.61 3.41 -1.26 -4.81 113.62 114.51 3sga n SER 207 Ca 0.00 -2.16 -0.36 0.00 -0.26 0.00 0.00 58.87 56.09 3sga n SER 207 Cb 0.00 -0.36 -0.12 0.00 -0.26 0.00 0.00 64.21 63.47 3sga n SER 207 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3sga s THR 208 N -1.64 4.33 0.12 6.66 2.01 -0.89 -0.70 115.64 125.53 3sga s THR 208 Ca 0.24 -0.17 -0.30 0.00 0.31 0.00 0.00 61.69 61.77 3sga s THR 208 Cb 0.15 -3.02 -0.06 0.00 0.01 0.00 0.00 72.50 69.57 3sga s THR 208 CO 0.13 0.34 1.05 0.00 -0.69 0.00 0.00 174.62 175.45 3sga s ALA 209 N 1.55 3.30 0.00 7.40 0.00 0.26 -1.21 121.76 133.07 3sga s ALA 209 Ca 0.06 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.72 3sga s ALA 209 Cb -0.15 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.63 3sga s ALA 209 CO 0.04 -0.17 0.00 1.28 0.00 0.00 0.00 175.76 176.90 3sga n LEU 210 N 2.90 1.84 -3.84 0.00 4.77 -0.07 -0.07 117.00 122.53 3sga n LEU 210 Ca 0.04 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.97 3sga n LEU 210 Cb 0.48 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.58 3sga n LEU 210 CO 0.53 0.31 0.69 -0.83 -1.33 0.00 0.00 177.39 176.76 3sga s GLY 211 N -3.52 0.16 -0.09 -0.72 0.00 -0.69 -0.95 107.32 101.51 3sga s GLY 211 Ca 0.00 -0.44 0.03 0.00 0.00 0.00 0.00 44.72 44.32 3sga s GLY 211 CO 0.00 1.16 -0.20 1.08 0.00 0.00 0.00 173.10 175.14 3sga s LEU 212 N -3.23 1.94 0.15 0.66 1.43 0.06 -0.92 118.68 118.78 3sga s LEU 212 Ca 0.18 -0.47 -0.31 0.00 -1.03 0.00 0.00 54.13 52.50 3sga s LEU 212 Cb -0.03 -1.21 -0.11 0.00 0.03 0.00 0.00 46.19 44.86 3sga s LEU 212 CO 0.07 0.12 1.80 -0.89 0.23 0.00 0.00 176.35 177.68 3sga s THR 213 N 0.44 2.34 -0.17 5.49 2.01 -0.22 -0.74 115.64 124.79 3sga s THR 213 Ca -0.17 0.03 -0.12 0.00 0.31 0.00 0.00 61.69 61.73 3sga s THR 213 Cb -0.17 -3.02 -0.07 0.00 0.01 0.00 0.00 72.50 69.25 3sga s THR 213 CO 0.07 0.00 -0.27 -0.24 -0.69 0.00 0.00 174.62 173.49 3sga n SER 214 N 5.09 1.61 -0.39 3.53 2.88 -0.27 -0.22 113.62 125.85 3sga n SER 214 Ca 0.17 0.27 0.00 0.00 -1.33 0.00 0.00 58.87 57.98 3sga n SER 214 Cb 0.37 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 63.20 3sga n SER 214 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3sga n GLY 215 N 1.80 0.79 0.00 0.46 0.00 -1.10 -4.86 105.19 102.28 3sga n GLY 215 Ca -0.27 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.06 3sga n GLY 215 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3sga n GLY 216 N 0.00 -0.72 3.28 -0.02 0.00 -1.26 -0.23 105.19 106.23 3sga n GLY 216 Ca 0.00 -1.11 -0.17 0.00 0.00 0.00 0.00 46.02 44.74 3sga n GLY 216 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3sga s SER 217 N -4.00 2.11 0.00 1.61 1.04 0.35 -5.00 113.70 109.81 3sga s SER 217 Ca 0.00 -0.94 0.00 0.00 0.48 0.00 0.00 55.95 55.49 3sga s SER 217 Cb 0.00 -0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.05 3sga s SER 217 CO 0.00 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.62 3sga n GLY 218 N 0.02 -1.02 3.83 7.32 0.00 -1.26 -2.13 105.19 111.94 3sga n GLY 218 Ca -0.11 -1.35 -0.07 0.00 0.00 0.00 0.00 46.02 44.49 3sga n GLY 218 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3sga s ASN 219 N -4.00 -0.02 0.00 1.61 2.20 -0.80 -4.87 114.94 109.06 3sga s ASN 219 Ca 0.00 -0.96 0.21 0.00 -0.94 0.00 0.00 52.86 51.17 3sga s ASN 219 Cb 0.00 0.74 1.27 0.00 -2.00 0.00 0.00 41.25 41.26 3sga s ASN 219 CO 0.00 -1.46 1.79 0.00 -2.94 0.00 0.00 177.10 174.49 3sga n ARG 221 N -0.85 0.66 0.00 0.00 0.00 -1.26 -4.51 116.66 110.71 3sga n ARG 221 Ca 0.16 0.16 0.08 0.00 -0.00 0.00 0.00 57.85 58.25 3sga n ARG 221 Cb 0.07 -1.54 -0.09 0.00 -0.00 0.00 0.00 32.46 30.90 3sga n ARG 221 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 3sga n THR 222 N -3.27 0.00 -0.08 8.89 -2.24 -1.21 -5.09 114.28 111.27 3sga n THR 222 Ca -0.44 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 3sga n THR 222 Cb 1.00 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 70.25 3sga n THR 222 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3sga n GLY 223 N 1.39 -2.97 0.00 3.38 0.00 0.14 -4.91 105.19 102.21 3sga n GLY 223 Ca 0.04 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.32 3sga n GLY 223 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3sga n GLY 224 N -0.64 -1.39 3.44 -0.02 0.00 -1.25 -1.91 105.19 103.43 3sga n GLY 224 Ca 0.00 -0.98 -0.32 0.00 0.00 0.00 0.00 46.02 44.72 3sga n GLY 224 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3sga s THR 225 N -2.68 2.89 0.06 2.61 2.01 -0.91 -4.22 115.64 115.40 3sga s THR 225 Ca 0.00 -0.78 0.02 0.00 0.31 0.00 0.00 61.69 61.24 3sga s THR 225 Cb 0.00 -2.12 -0.03 0.00 0.01 0.00 0.00 72.50 70.36 3sga s THR 225 CO 0.00 0.58 -0.07 0.42 -0.69 0.00 0.00 174.62 174.86 3sga s THR 226 N -0.62 0.58 -0.02 -0.82 -4.23 -0.51 -0.49 115.64 109.52 3sga s THR 226 Ca 0.09 -1.33 0.06 0.00 -1.18 0.00 0.00 61.69 59.33 3sga s THR 226 Cb -0.11 -0.92 -0.02 0.00 1.34 0.00 0.00 72.50 72.78 3sga s THR 226 CO 0.01 -0.53 -0.19 -0.36 -0.54 0.00 0.00 174.62 173.01 3sga s PHE 227 N -2.04 2.53 -0.00 3.99 0.40 0.68 -0.61 117.98 122.92 3sga s PHE 227 Ca -0.04 -0.28 0.05 0.00 -0.60 0.00 0.00 56.93 56.06 3sga s PHE 227 Cb -0.05 -1.55 -0.01 0.00 0.51 0.00 0.00 43.02 41.91 3sga s PHE 227 CO -0.01 0.12 -0.15 0.71 0.70 0.00 0.00 175.22 176.58 3sga s TYR 228 N -0.72 1.33 -0.06 0.36 2.02 0.01 -1.11 117.35 119.17 3sga s TYR 228 Ca 0.11 -0.26 -0.30 0.00 -0.37 0.00 0.00 57.07 56.25 3sga s TYR 228 Cb -0.10 -0.85 -0.03 0.00 -0.40 0.00 0.00 41.96 40.58 3sga s TYR 228 CO 0.01 -0.01 1.10 -1.14 -1.57 0.00 0.00 175.55 173.93 3sga s GLN 229 N -0.45 4.41 0.16 -0.62 2.00 0.08 -0.99 119.66 124.24 3sga s GLN 229 Ca 0.05 1.54 -0.32 0.00 -2.00 0.00 0.00 55.36 54.63 3sga s GLN 229 Cb -0.06 -3.53 -0.12 0.00 0.80 0.00 0.00 33.01 30.10 3sga s GLN 229 CO -0.00 -0.34 1.73 -2.30 -0.50 0.00 0.00 175.29 173.88 3sga n PRO 230 N 4.90 2.61 0.13 1.67 -0.02 -1.26 -0.76 135.00 142.26 3sga n PRO 230 Ca 0.09 0.94 -0.01 0.00 -2.02 0.00 0.00 63.50 62.51 3sga n PRO 230 Cb 0.48 -2.79 0.26 0.00 -0.02 0.00 0.00 33.50 31.43 3sga n PRO 230 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 3sga h VAL 231 N 4.10 1.31 -0.49 -1.45 3.04 -1.35 -3.02 116.25 118.39 3sga h VAL 231 Ca -0.45 -1.52 0.01 0.00 -1.01 0.00 0.00 66.70 63.74 3sga h VAL 231 Cb 1.22 1.74 -0.03 0.00 -2.01 0.00 0.00 31.29 32.22 3sga h VAL 231 CO 0.94 0.45 0.33 0.71 -1.01 0.00 0.00 177.57 178.98 3sga h THR 232 N 0.11 1.10 -0.32 3.17 1.35 -1.82 -0.65 112.91 115.85 3sga h THR 232 Ca 0.01 -0.22 -0.14 0.00 -0.55 0.00 0.00 66.41 65.51 3sga h THR 232 Cb 0.80 0.42 -0.01 0.00 -1.73 0.00 0.00 68.15 67.63 3sga h THR 232 CO 0.06 0.11 -0.37 -0.08 -0.25 0.00 0.00 175.52 175.00 3sga h GLU 233 N 0.63 0.73 -0.32 4.72 4.81 -1.92 -1.48 114.58 121.75 3sga h GLU 233 Ca 0.19 -0.36 -0.04 0.00 -0.13 0.00 0.00 59.36 59.01 3sga h GLU 233 Cb -0.01 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 3sga h GLU 233 CO -0.04 0.98 0.04 0.00 -0.73 0.00 0.00 179.01 179.26 3sga h ALA 234 N 0.98 0.42 -0.20 2.92 0.00 -1.51 -1.52 119.26 120.35 3sga h ALA 234 Ca 0.06 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3sga h ALA 234 Cb 0.91 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3sga h ALA 234 CO 0.08 0.13 0.13 -0.07 0.00 0.00 0.00 179.25 179.52 3sga h LEU 235 N 0.36 0.24 -1.12 0.00 3.38 -1.00 -2.65 115.31 114.51 3sga h LEU 235 Ca 0.10 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 3sga h LEU 235 Cb 0.36 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3sga h LEU 235 CO 0.01 0.21 -0.35 0.77 0.09 0.00 0.00 178.44 179.16 3sga h SER 235 N 0.25 0.16 -0.12 -0.43 4.64 -1.25 0.23 113.55 117.03 3sga h SER 235 Ca 0.07 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 3sga h SER 235 Cb 0.01 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 3sga h SER 235 CO -0.01 0.50 0.05 0.00 -0.87 0.00 0.00 176.83 176.50 3sga h ALA 236 N 1.51 1.78 -0.11 5.18 0.00 -0.93 -3.05 119.26 123.65 3sga h ALA 236 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3sga h ALA 236 Cb 0.69 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3sga h ALA 236 CO 0.05 0.17 0.00 0.66 0.00 0.00 0.00 179.25 180.14 3sga n TYR 237 N -4.45 0.14 -3.55 0.00 4.01 -1.01 -5.00 117.16 107.31 3sga n TYR 237 Ca -0.01 -0.30 -0.22 0.00 -0.16 0.00 0.00 57.90 57.21 3sga n TYR 237 Cb 0.13 -0.02 0.08 0.00 -0.31 0.00 0.00 39.34 39.21 3sga n TYR 237 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3sga n GLY 238 N 0.13 -0.48 3.77 2.72 0.00 0.58 -4.94 105.19 106.97 3sga n GLY 238 Ca 0.05 0.21 -0.22 0.00 0.00 0.00 0.00 46.02 46.06 3sga n GLY 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3sga s ALA 239 N -3.32 3.47 -0.01 4.61 0.00 0.09 -4.43 121.76 122.17 3sga s ALA 239 Ca 0.50 -1.47 0.03 0.00 0.00 0.00 0.00 51.96 51.02 3sga s ALA 239 Cb -0.22 -1.16 -0.01 0.00 0.00 0.00 0.00 23.12 21.73 3sga s ALA 239 CO 0.71 0.27 -0.10 0.95 0.00 0.00 0.00 175.76 177.59 3sga s THR 240 N -2.16 0.77 0.45 0.00 -4.23 -0.18 -4.64 115.64 105.65 3sga s THR 240 Ca 0.32 -0.43 -0.24 0.00 -1.18 0.00 0.00 61.69 60.17 3sga s THR 240 Cb -0.08 -0.65 -0.07 0.00 1.34 0.00 0.00 72.50 73.04 3sga s THR 240 CO 0.23 0.21 1.19 0.68 -0.54 0.00 0.00 174.62 176.40 3sga s VAL 241 N -0.25 2.99 -2.48 2.29 -7.23 -1.26 0.03 120.40 114.49 3sga s VAL 241 Ca 0.04 0.77 0.28 0.00 -1.81 0.00 0.00 61.98 61.26 3sga s VAL 241 Cb -0.04 -3.41 0.57 0.00 0.56 0.00 0.00 36.38 34.06 3sga s VAL 241 CO -0.00 0.02 1.77 0.18 -0.31 0.00 0.00 175.10 176.75