#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a1r s GLU 56 N 0.00 2.25 0.06 5.55 2.02 -1.26 -4.91 118.70 122.41 1a1r s GLU 56 Ca 0.00 -0.87 0.02 0.00 0.02 0.00 0.00 54.97 54.14 1a1r s GLU 56 Cb 0.00 -2.29 -0.04 0.00 0.10 0.00 0.00 34.13 31.90 1a1r s GLU 56 CO 0.00 0.57 0.07 0.20 0.02 0.00 0.00 175.26 176.11 1a1r s GLY 57 N -1.31 2.00 0.00 -1.39 0.00 -0.20 -4.70 107.32 101.73 1a1r s GLY 57 Ca 0.15 -0.99 0.17 0.00 0.00 0.00 0.00 44.72 44.05 1a1r s GLY 57 CO 0.05 -0.94 0.67 1.18 0.00 0.00 0.00 173.10 174.06 1a1r n GLU 58 N 0.69 0.63 -4.58 2.90 4.71 -1.25 -1.71 120.64 122.03 1a1r n GLU 58 Ca -0.10 0.17 -0.33 0.00 -0.01 0.00 0.00 57.16 56.89 1a1r n GLU 58 Cb 0.52 -1.74 -0.14 0.00 -1.01 0.00 0.00 31.44 29.07 1a1r n GLU 58 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1a1r s VAL 59 N -2.86 3.32 -0.05 2.62 1.01 -1.26 -0.92 120.40 122.26 1a1r s VAL 59 Ca -0.05 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 61.43 1a1r s VAL 59 Cb 0.09 -2.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 1a1r s VAL 59 CO 0.82 0.51 -0.21 0.00 0.00 0.00 0.00 175.10 176.22 1a1r s GLN 60 N 0.46 2.49 -0.52 2.72 0.00 -0.69 -4.98 119.66 119.15 1a1r s GLN 60 Ca -0.07 -0.82 -0.23 0.00 -0.00 0.00 0.00 55.36 54.23 1a1r s GLN 60 Cb -0.15 -2.24 0.04 0.00 0.00 0.00 0.00 33.01 30.66 1a1r s GLN 60 CO 0.04 0.49 0.85 0.42 0.00 0.00 0.00 175.29 177.09 1a1r s ILE 61 N -0.43 4.54 0.34 3.63 1.01 -1.26 -1.05 121.20 127.99 1a1r s ILE 61 Ca 0.04 0.16 0.07 0.00 0.00 0.00 0.00 60.65 60.93 1a1r s ILE 61 Cb -0.12 -4.44 -0.02 0.00 0.01 0.00 0.00 42.46 37.89 1a1r s ILE 61 CO 0.02 -0.97 0.38 0.68 0.00 0.00 0.00 174.94 175.05 1a1r s VAL 62 N 3.54 3.66 0.08 2.92 -7.23 -0.55 -4.98 120.40 117.84 1a1r s VAL 62 Ca 0.27 -1.21 -0.13 0.00 -1.81 0.00 0.00 61.98 59.10 1a1r s VAL 62 Cb -0.14 -3.25 0.02 0.00 0.56 0.00 0.00 36.38 33.57 1a1r s VAL 62 CO 0.19 -0.15 0.30 -0.44 -0.31 0.00 0.00 175.10 174.69 1a1r s SER 63 N -4.09 -0.09 0.41 4.85 0.01 -1.26 -1.58 113.70 111.95 1a1r s SER 63 Ca 0.44 -0.35 0.04 0.00 1.31 0.00 0.00 55.95 57.38 1a1r s SER 63 Cb -0.07 0.39 -0.02 0.00 0.21 0.00 0.00 66.02 66.52 1a1r s SER 63 CO 0.29 -0.72 0.12 0.42 0.41 0.00 0.00 173.24 173.75 1a1r s THR 64 N -3.30 0.67 0.55 1.44 -4.23 0.15 -4.99 115.64 105.94 1a1r s THR 64 Ca 0.00 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 58.74 1a1r s THR 64 Cb 0.02 -2.35 0.32 0.00 1.34 0.00 0.00 72.50 71.82 1a1r s THR 64 CO -0.08 0.00 2.17 0.00 -0.54 0.00 0.00 174.62 176.17 1a1r h ALA 65 N 1.76 1.86 0.00 3.99 0.00 -2.02 -3.20 119.26 121.64 1a1r h ALA 65 Ca -0.36 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1a1r h ALA 65 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1a1r h ALA 65 CO 0.59 -0.07 -0.08 0.25 0.00 0.00 0.00 179.25 179.94 1a1r n THR 66 N -4.22 0.00 -3.85 0.00 -2.24 -1.26 -5.07 114.28 97.63 1a1r n THR 66 Ca -0.02 -0.46 -0.12 0.00 -2.27 0.00 0.00 64.05 61.18 1a1r n THR 66 Cb 0.14 0.96 -0.12 0.00 -2.10 0.00 0.00 70.33 69.22 1a1r n THR 66 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1a1r s GLN 67 N -1.08 0.25 -0.06 -0.78 0.74 -1.21 -5.14 119.66 112.39 1a1r s GLN 67 Ca 0.00 -0.06 0.05 0.00 0.05 0.00 0.00 55.36 55.41 1a1r s GLN 67 Cb 0.00 0.11 -0.01 0.00 1.10 0.00 0.00 33.01 34.21 1a1r s GLN 67 CO 0.00 -0.05 -0.23 -0.08 -0.55 0.00 0.00 175.29 174.38 1a1r s THR 68 N -0.47 1.90 0.00 -0.34 -1.32 -1.26 0.33 115.64 114.48 1a1r s THR 68 Ca -0.06 -0.97 0.00 0.00 -1.21 0.00 0.00 61.69 59.45 1a1r s THR 68 Cb -0.04 -1.62 0.00 0.00 -1.51 0.00 0.00 72.50 69.34 1a1r s THR 68 CO 0.00 0.53 0.00 2.22 -2.21 0.00 0.00 174.62 175.16 1a1r n PHE 69 N 3.07 0.00 -4.39 9.09 -1.74 -0.61 -4.44 117.46 118.44 1a1r n PHE 69 Ca -0.18 0.00 -0.19 0.00 -0.56 0.00 0.00 57.45 56.52 1a1r n PHE 69 Cb 0.52 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.42 1a1r n PHE 69 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1a1r s LEU 70 N 0.00 2.27 0.06 5.98 1.43 -0.80 -1.48 118.68 126.13 1a1r s LEU 70 Ca 0.00 -1.25 0.01 0.00 -1.03 0.00 0.00 54.13 51.86 1a1r s LEU 70 Cb 0.00 -0.40 -0.03 0.00 0.03 0.00 0.00 46.19 45.79 1a1r s LEU 70 CO 0.00 -0.49 -0.05 0.00 0.23 0.00 0.00 176.35 176.04 1a1r s ALA 71 N -3.28 0.59 -0.05 4.21 0.00 -0.22 -4.14 121.76 118.88 1a1r s ALA 71 Ca 0.31 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 51.27 1a1r s ALA 71 Cb 0.06 0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.35 1a1r s ALA 71 CO 0.11 -0.19 -0.04 0.99 0.00 0.00 0.00 175.76 176.63 1a1r s THR 72 N -2.63 0.54 -0.18 0.00 2.01 0.46 -1.70 115.64 114.14 1a1r s THR 72 Ca -0.01 -0.12 -0.24 0.00 0.31 0.00 0.00 61.69 61.63 1a1r s THR 72 Cb -0.01 -0.57 -0.02 0.00 0.01 0.00 0.00 72.50 71.91 1a1r s THR 72 CO -0.04 0.23 0.78 0.00 -0.69 0.00 0.00 174.62 174.90 1a1r s ILE 74 N 2.15 -0.06 -1.43 0.00 1.01 0.18 -1.11 121.20 121.93 1a1r s ILE 74 Ca 0.35 0.22 -0.07 0.00 0.00 0.00 0.00 60.65 61.15 1a1r s ILE 74 Cb -0.16 -0.12 0.04 0.00 0.01 0.00 0.00 42.46 42.23 1a1r s ILE 74 CO 0.11 0.09 0.81 0.59 0.00 0.00 0.00 174.94 176.54 1a1r n ASN 75 N 4.23 -2.79 0.00 3.58 3.02 -1.23 -1.63 115.26 120.43 1a1r n ASN 75 Ca -0.27 -0.82 0.00 0.00 -0.03 0.00 0.00 54.58 53.46 1a1r n ASN 75 Cb 0.50 -3.85 0.00 0.00 -0.61 0.00 0.00 39.78 35.83 1a1r n ASN 75 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a1r n GLY 76 N -1.66 0.77 3.64 7.41 0.00 -1.26 -4.99 105.19 109.09 1a1r n GLY 76 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 1a1r n GLY 76 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a1r s VAL 77 N -2.89 3.79 -0.51 1.61 1.01 -0.64 -1.24 120.40 121.52 1a1r s VAL 77 Ca 0.00 -0.93 -0.14 0.00 0.00 0.00 0.00 61.98 60.91 1a1r s VAL 77 Cb 0.00 -2.74 0.12 0.00 0.00 0.00 0.00 36.38 33.76 1a1r s VAL 77 CO 0.00 0.23 0.45 0.00 0.00 0.00 0.00 175.10 175.78 1a1r s TRP 79 N 1.55 3.47 0.38 0.00 0.52 -0.05 -1.08 118.94 123.73 1a1r s TRP 79 Ca 0.04 0.58 -0.13 0.00 0.02 0.00 0.00 56.10 56.60 1a1r s TRP 79 Cb -0.28 -2.03 0.05 0.00 -1.15 0.00 0.00 33.47 30.06 1a1r s TRP 79 CO 0.03 0.38 0.74 -2.37 0.02 0.00 0.00 176.95 175.75 1a1r n THR 80 N -0.12 0.00 -3.24 2.01 5.66 -0.16 -0.40 114.28 118.03 1a1r n THR 80 Ca -0.02 -1.02 -0.39 0.00 -3.05 0.00 0.00 64.05 59.57 1a1r n THR 80 Cb 0.52 0.96 -0.06 0.00 -1.55 0.00 0.00 70.33 70.21 1a1r n THR 80 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1a1r s VAL 81 N -2.19 5.13 0.44 1.08 -7.23 -1.26 -1.86 120.40 114.52 1a1r s VAL 81 Ca 0.16 1.03 0.21 0.00 -1.81 0.00 0.00 61.98 61.57 1a1r s VAL 81 Cb -0.04 -3.86 0.40 0.00 0.56 0.00 0.00 36.38 33.44 1a1r s VAL 81 CO 0.12 0.25 1.86 0.22 -0.31 0.00 0.00 175.10 177.24 1a1r h TYR 82 N 7.04 0.43 0.00 2.82 5.03 -1.11 0.14 116.97 131.33 1a1r h TYR 82 Ca -0.38 0.01 0.00 0.00 2.58 0.00 0.00 58.73 60.95 1a1r h TYR 82 Cb 1.17 -0.13 0.00 0.00 1.55 0.00 0.00 36.73 39.32 1a1r h TYR 82 CO 0.66 0.10 0.00 -2.39 -1.32 0.00 0.00 178.16 175.21 1a1r n HIS 83 N -4.47 0.00 0.00 -3.82 1.44 -1.26 -0.21 115.22 106.90 1a1r n HIS 83 Ca 0.19 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.90 1a1r n HIS 83 Cb 0.76 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.87 1a1r n HIS 83 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1a1r n GLY 84 N -0.05 0.00 0.13 -1.39 0.00 0.43 -4.85 105.19 99.46 1a1r n GLY 84 Ca 0.10 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 1a1r n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a1r h ALA 85 N 0.00 0.22 -0.37 4.61 0.00 -1.32 -3.48 119.26 118.92 1a1r h ALA 85 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 54.91 53.78 1a1r h ALA 85 Cb 0.84 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1a1r h ALA 85 CO 0.00 1.09 0.00 0.41 0.00 0.00 0.00 179.25 180.75 1a1r n GLY 86 N 1.75 2.07 0.27 0.00 0.00 0.71 -2.23 105.19 107.76 1a1r n GLY 86 Ca -0.20 -0.39 0.09 0.00 0.00 0.00 0.00 46.02 45.52 1a1r n GLY 86 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a1r n THR 87 N 0.00 1.96 -1.36 2.61 -2.24 -1.26 -4.85 114.28 109.13 1a1r n THR 87 Ca 0.00 -2.13 -0.34 0.00 -2.27 0.00 0.00 64.05 59.31 1a1r n THR 87 Cb 0.00 -0.22 0.10 0.00 -2.10 0.00 0.00 70.33 68.11 1a1r n THR 87 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1a1r s ARG 88 N -2.80 2.06 0.38 -0.78 0.52 -0.95 -4.86 118.95 112.53 1a1r s ARG 88 Ca 0.34 1.69 -0.07 0.00 -0.52 0.00 0.00 55.73 57.17 1a1r s ARG 88 Cb 0.29 -1.83 -0.05 0.00 0.52 0.00 0.00 34.95 33.87 1a1r s ARG 88 CO 0.04 -1.88 0.69 0.95 0.02 0.00 0.00 175.30 175.13 1a1r s THR 89 N -2.11 4.91 -0.10 0.02 -4.23 -1.26 -4.53 115.64 108.34 1a1r s THR 89 Ca 0.73 0.28 -0.11 0.00 -1.18 0.00 0.00 61.69 61.40 1a1r s THR 89 Cb -0.27 -3.77 -0.05 0.00 1.34 0.00 0.00 72.50 69.75 1a1r s THR 89 CO 0.47 -0.54 0.25 -0.51 -0.54 0.00 0.00 174.62 173.75 1a1r s ILE 90 N -2.37 5.32 0.39 2.99 2.07 0.57 -4.81 121.20 125.37 1a1r s ILE 90 Ca 0.47 0.47 -0.26 0.00 -1.41 0.00 0.00 60.65 59.92 1a1r s ILE 90 Cb -0.10 -3.55 -0.09 0.00 0.13 0.00 0.00 42.46 38.85 1a1r s ILE 90 CO 0.34 0.55 1.30 0.00 -1.91 0.00 0.00 174.94 175.22 1a1r s ALA 91 N -0.62 3.29 0.00 1.50 0.00 -1.26 -0.15 121.76 124.53 1a1r s ALA 91 Ca 0.17 1.23 -0.06 0.00 0.00 0.00 0.00 51.96 53.30 1a1r s ALA 91 Cb -0.14 -3.48 -0.00 0.00 0.00 0.00 0.00 23.12 19.50 1a1r s ALA 91 CO 0.06 -0.78 0.10 0.45 0.00 0.00 0.00 175.76 175.59 1a1r s SER 92 N -0.71 0.07 0.00 0.00 0.15 -1.02 -4.85 113.70 107.33 1a1r s SER 92 Ca 0.56 -0.25 0.06 0.00 0.70 0.00 0.00 55.95 57.01 1a1r s SER 92 Cb -0.38 0.18 0.34 0.00 -1.71 0.00 0.00 66.02 64.45 1a1r s SER 92 CO 0.49 -0.34 0.73 -0.81 1.20 0.00 0.00 173.24 174.51 1a1r n PRO 93 N 1.55 0.32 -0.03 5.44 -0.04 -1.26 -0.40 135.00 140.58 1a1r n PRO 93 Ca -0.23 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.25 1a1r n PRO 93 Cb 0.56 -1.27 0.02 0.00 -0.04 0.00 0.00 33.50 32.76 1a1r n PRO 93 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1a1r n LYS 94 N -0.77 2.18 0.00 0.54 5.02 -1.26 -5.12 118.16 118.75 1a1r n LYS 94 Ca 0.04 -1.52 0.00 0.00 -2.02 0.00 0.00 58.31 54.81 1a1r n LYS 94 Cb 0.02 -0.99 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 1a1r n LYS 94 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1a1r n GLY 95 N -0.57 1.40 3.76 0.72 0.00 0.46 -5.04 105.19 105.93 1a1r n GLY 95 Ca 0.03 -2.15 -0.41 0.00 0.00 0.00 0.00 46.02 43.48 1a1r n GLY 95 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a1r s PRO 96 N -1.55 4.16 -0.12 1.61 0.04 -1.26 -2.43 135.00 135.44 1a1r s PRO 96 Ca 0.00 2.51 -0.01 0.00 0.04 0.00 0.00 61.00 63.54 1a1r s PRO 96 Cb 0.00 -3.02 -0.02 0.00 0.04 0.00 0.00 34.50 31.50 1a1r s PRO 96 CO 0.00 -0.53 -0.09 0.08 0.04 0.00 0.00 177.00 176.50 1a1r s VAL 97 N -0.47 3.46 0.32 -0.36 1.01 0.79 -4.91 120.40 120.24 1a1r s VAL 97 Ca 0.58 -0.53 -0.12 0.00 0.00 0.00 0.00 61.98 61.90 1a1r s VAL 97 Cb -0.46 -2.46 -0.08 0.00 0.00 0.00 0.00 36.38 33.38 1a1r s VAL 97 CO 0.53 0.53 0.70 0.27 0.00 0.00 0.00 175.10 177.13 1a1r s ILE 98 N 0.05 4.77 0.27 2.22 -4.36 -1.26 -0.31 121.20 122.57 1a1r s ILE 98 Ca -0.03 0.74 -0.31 0.00 -0.26 0.00 0.00 60.65 60.80 1a1r s ILE 98 Cb -0.14 -3.64 -0.13 0.00 1.25 0.00 0.00 42.46 39.80 1a1r s ILE 98 CO 0.04 -0.24 1.49 0.00 0.24 0.00 0.00 174.94 176.47 1a1r n GLN 99 N -0.54 2.35 0.08 0.37 6.02 -1.26 -4.65 117.38 119.75 1a1r n GLN 99 Ca 0.02 0.84 -0.12 0.00 -0.01 0.00 0.00 57.00 57.73 1a1r n GLN 99 Cb 0.53 -2.55 -0.12 0.00 1.02 0.00 0.00 30.24 29.12 1a1r n GLN 99 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 1a1r h MET 100 N 4.46 0.15 -3.93 -1.09 2.86 0.52 -3.46 114.93 114.44 1a1r h MET 100 Ca -0.46 -0.25 -0.25 0.00 -2.06 0.00 0.00 59.70 56.68 1a1r h MET 100 Cb 1.25 0.09 -0.27 0.00 0.06 0.00 0.00 31.60 32.73 1a1r h MET 100 CO 0.77 1.11 -0.73 0.71 1.06 0.00 0.00 176.91 179.83 1a1r s TYR 101 N -2.72 0.17 -0.04 -0.22 2.02 -0.78 -4.99 117.35 110.79 1a1r s TYR 101 Ca -0.02 -0.08 -0.01 0.00 -0.37 0.00 0.00 57.07 56.59 1a1r s TYR 101 Cb 0.09 -0.11 0.03 0.00 -0.40 0.00 0.00 41.96 41.57 1a1r s TYR 101 CO 0.85 -0.02 0.03 0.99 -1.57 0.00 0.00 175.55 175.84 1a1r s THR 102 N -0.19 0.06 -0.39 -0.71 2.01 -1.26 -0.98 115.64 114.18 1a1r s THR 102 Ca -0.01 0.27 0.02 0.00 0.31 0.00 0.00 61.69 62.28 1a1r s THR 102 Cb -0.02 -0.25 0.15 0.00 0.01 0.00 0.00 72.50 72.39 1a1r s THR 102 CO -0.00 0.18 0.28 0.21 -0.69 0.00 0.00 174.62 174.60 1a1r s ASN 103 N 1.78 2.34 0.26 3.53 3.84 0.11 -5.00 114.94 121.80 1a1r s ASN 103 Ca 0.01 -2.65 -0.02 0.00 0.21 0.00 0.00 52.86 50.41 1a1r s ASN 103 Cb -0.12 -0.47 0.47 0.00 -0.55 0.00 0.00 41.25 40.58 1a1r s ASN 103 CO -0.03 -0.24 1.82 0.58 -2.79 0.00 0.00 177.10 176.44 1a1r h VAL 104 N 4.84 0.90 -0.45 -5.21 2.07 -1.96 -1.43 116.25 115.01 1a1r h VAL 104 Ca 0.15 -0.30 0.05 0.00 0.82 0.00 0.00 66.70 67.42 1a1r h VAL 104 Cb 0.94 -0.05 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 1a1r h VAL 104 CO 0.33 0.16 0.18 0.44 0.02 0.00 0.00 177.57 178.71 1a1r h ASP 105 N 0.88 0.22 0.10 0.57 3.32 -1.94 -2.20 116.42 117.37 1a1r h ASP 105 Ca 0.45 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.54 1a1r h ASP 105 Cb 0.43 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1a1r h ASP 105 CO -0.26 0.16 -0.05 0.00 -1.72 0.00 0.00 179.24 177.36 1a1r n GLN 106 N -4.97 1.19 -2.49 3.56 6.02 -0.97 -4.91 117.38 114.81 1a1r n GLN 106 Ca 0.04 -0.52 -0.17 0.00 -0.01 0.00 0.00 57.00 56.33 1a1r n GLN 106 Cb 0.16 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.93 1a1r n GLN 106 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1a1r n ASP 107 N -0.45 -4.98 -4.23 1.08 2.03 -0.63 -4.94 116.55 104.44 1a1r n ASP 107 Ca 0.18 -0.09 -0.31 0.00 0.52 0.00 0.00 54.79 55.10 1a1r n ASP 107 Cb 0.28 -4.00 -0.17 0.00 -0.72 0.00 0.00 41.12 36.52 1a1r n ASP 107 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1a1r s LEU 108 N -4.94 2.05 0.01 -2.67 2.96 -0.68 -0.54 118.68 114.87 1a1r s LEU 108 Ca 0.08 -0.51 -0.02 0.00 -0.22 0.00 0.00 54.13 53.46 1a1r s LEU 108 Cb -0.04 -1.34 -0.01 0.00 0.50 0.00 0.00 46.19 45.31 1a1r s LEU 108 CO 0.10 0.19 0.02 0.68 -1.32 0.00 0.00 176.35 176.02 1a1r s VAL 109 N 0.11 0.10 -0.08 1.68 -7.23 -0.77 0.09 120.40 114.29 1a1r s VAL 109 Ca -0.11 -0.83 -0.12 0.00 -1.81 0.00 0.00 61.98 59.12 1a1r s VAL 109 Cb -0.16 -0.31 0.03 0.00 0.56 0.00 0.00 36.38 36.50 1a1r s VAL 109 CO 0.06 -0.45 0.31 -0.83 -0.31 0.00 0.00 175.10 173.87 1a1r s GLY 110 N -1.41 -0.20 0.43 2.32 0.00 -0.16 -0.99 107.32 107.32 1a1r s GLY 110 Ca -0.15 0.68 0.05 0.00 0.00 0.00 0.00 44.72 45.29 1a1r s GLY 110 CO -0.00 0.53 0.02 -0.98 0.00 0.00 0.00 173.10 172.66 1a1r s TRP 111 N -0.34 2.26 0.44 1.90 0.51 -0.24 0.11 118.94 123.58 1a1r s TRP 111 Ca -0.05 -0.80 -0.24 0.00 -2.12 0.00 0.00 56.10 52.90 1a1r s TRP 111 Cb -0.03 -1.67 -0.08 0.00 -0.81 0.00 0.00 33.47 30.88 1a1r s TRP 111 CO 0.02 0.32 1.21 -2.14 -0.51 0.00 0.00 176.95 175.85 1a1r s PRO 112 N -3.77 3.82 0.17 4.98 0.02 -1.26 -0.07 135.00 138.88 1a1r s PRO 112 Ca 0.26 1.91 -0.32 0.00 0.02 0.00 0.00 61.00 62.87 1a1r s PRO 112 Cb 0.07 -2.53 -0.12 0.00 0.02 0.00 0.00 34.50 31.94 1a1r s PRO 112 CO 0.13 -0.54 1.75 0.00 -0.33 0.00 0.00 177.00 178.02 1a1r n ALA 113 N -0.27 2.42 -1.01 -1.55 0.00 -0.38 -4.44 120.51 115.29 1a1r n ALA 113 Ca 0.06 0.38 -0.11 0.00 0.00 0.00 0.00 53.44 53.77 1a1r n ALA 113 Cb 0.46 -2.53 0.14 0.00 0.00 0.00 0.00 19.45 17.53 1a1r n ALA 113 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1a1r n PRO 114 N 4.51 -2.31 -2.90 0.00 -0.04 -1.26 -4.98 135.00 128.02 1a1r n PRO 114 Ca 0.17 -0.97 -0.37 0.00 -0.04 0.00 0.00 63.50 62.28 1a1r n PRO 114 Cb 0.35 -0.93 -0.06 0.00 -0.04 0.00 0.00 33.50 32.82 1a1r n PRO 114 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1a1r s GLN 115 N -4.38 4.51 0.00 0.54 -0.21 -1.26 -3.63 119.66 115.23 1a1r s GLN 115 Ca 0.40 1.19 0.00 0.00 0.02 0.00 0.00 55.36 56.97 1a1r s GLN 115 Cb -0.04 -2.93 0.00 0.00 1.00 0.00 0.00 33.01 31.03 1a1r s GLN 115 CO 0.31 0.38 0.00 0.41 -2.12 0.00 0.00 175.29 174.26 1a1r n GLY 116 N 0.84 0.70 3.58 3.09 0.00 -1.26 -5.04 105.19 107.11 1a1r n GLY 116 Ca -0.01 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 1a1r n GLY 116 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a1r s SER 117 N -2.07 4.09 -0.03 1.61 1.04 -1.24 -1.03 113.70 116.07 1a1r s SER 117 Ca 0.00 -0.91 -0.03 0.00 0.48 0.00 0.00 55.95 55.49 1a1r s SER 117 Cb 0.00 -0.55 0.01 0.00 0.10 0.00 0.00 66.02 65.58 1a1r s SER 117 CO 0.00 -0.08 0.08 0.00 0.98 0.00 0.00 173.24 174.22 1a1r s ARG 118 N -3.64 0.13 0.53 4.02 1.70 -0.70 -4.76 118.95 116.24 1a1r s ARG 118 Ca 0.32 0.06 -0.16 0.00 -0.47 0.00 0.00 55.73 55.48 1a1r s ARG 118 Cb -0.03 0.06 -0.07 0.00 -0.57 0.00 0.00 34.95 34.33 1a1r s ARG 118 CO 0.18 -0.02 1.00 -1.12 -1.08 0.00 0.00 175.30 174.26 1a1r s SER 119 N -0.09 6.50 0.17 -2.89 0.01 -1.26 -3.85 113.70 112.28 1a1r s SER 119 Ca -0.01 1.59 -0.03 0.00 1.31 0.00 0.00 55.95 58.81 1a1r s SER 119 Cb -0.01 -2.51 -0.05 0.00 0.21 0.00 0.00 66.02 63.66 1a1r s SER 119 CO 0.00 -0.67 0.38 -0.76 0.41 0.00 0.00 173.24 172.60 1a1r s LEU 120 N -4.18 4.25 -0.11 2.44 1.43 -0.27 -4.93 118.68 117.30 1a1r s LEU 120 Ca 0.59 0.48 -0.13 0.00 -1.03 0.00 0.00 54.13 54.05 1a1r s LEU 120 Cb -0.11 -3.23 -0.05 0.00 0.03 0.00 0.00 46.19 42.84 1a1r s LEU 120 CO 0.33 0.01 0.29 -0.89 0.23 0.00 0.00 176.35 176.32 1a1r s THR 121 N -1.76 5.27 0.61 5.49 2.01 -1.26 -3.56 115.64 122.43 1a1r s THR 121 Ca 0.39 0.56 -0.17 0.00 0.31 0.00 0.00 61.69 62.78 1a1r s THR 121 Cb -0.12 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 1a1r s THR 121 CO 0.27 0.49 1.14 -2.84 -0.69 0.00 0.00 174.62 172.99 1a1r s PRO 122 N -0.27 3.01 0.53 4.92 0.02 -1.26 -0.18 135.00 141.77 1a1r s PRO 122 Ca 0.18 1.57 -0.20 0.00 0.02 0.00 0.00 61.00 62.58 1a1r s PRO 122 Cb -0.14 -1.96 -0.06 0.00 0.02 0.00 0.00 34.50 32.36 1a1r s PRO 122 CO 0.06 -1.12 1.12 0.00 -0.33 0.00 0.00 177.00 176.74 1a1r n THR 124 N -1.20 0.00 0.75 0.00 -2.24 -1.26 -4.82 114.28 105.51 1a1r n THR 124 Ca 0.11 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.97 1a1r n THR 124 Cb 0.51 0.99 0.00 0.00 -2.10 0.00 0.00 70.33 69.73 1a1r n THR 124 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a1r n GLY 126 N 1.17 0.14 3.77 0.00 0.00 -1.26 -4.93 105.19 104.09 1a1r n GLY 126 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 1a1r n GLY 126 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1a1r s SER 127 N -2.14 5.76 0.00 1.61 0.15 -1.26 -4.95 113.70 112.87 1a1r s SER 127 Ca 0.00 2.19 0.17 0.00 0.70 0.00 0.00 55.95 59.01 1a1r s SER 127 Cb 0.00 -2.58 0.02 0.00 -1.71 0.00 0.00 66.02 61.75 1a1r s SER 127 CO 0.00 -1.20 0.92 -1.54 1.20 0.00 0.00 173.24 172.63 1a1r n SER 128 N -1.23 1.83 -4.43 5.45 3.41 -1.26 -4.79 113.62 112.61 1a1r n SER 128 Ca 0.11 -1.42 -0.44 0.00 -0.26 0.00 0.00 58.87 56.87 1a1r n SER 128 Cb 0.51 0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 64.81 1a1r n SER 128 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1a1r s ASP 129 N -1.89 6.44 0.42 4.04 1.01 -1.26 -0.28 116.67 125.15 1a1r s ASP 129 Ca 0.15 -1.71 0.00 0.00 0.71 0.00 0.00 52.55 51.70 1a1r s ASP 129 Cb 0.14 -2.37 -0.01 0.00 1.01 0.00 0.00 42.92 41.68 1a1r s ASP 129 CO 0.39 -1.13 0.64 -0.76 0.21 0.00 0.00 175.17 174.51 1a1r s LEU 130 N 2.85 3.76 -0.12 1.23 1.43 0.12 -3.66 118.68 124.29 1a1r s LEU 130 Ca 0.25 0.36 -0.04 0.00 -1.03 0.00 0.00 54.13 53.67 1a1r s LEU 130 Cb -0.12 -3.24 0.05 0.00 0.03 0.00 0.00 46.19 42.92 1a1r s LEU 130 CO -0.02 -0.57 0.08 -0.31 0.23 0.00 0.00 176.35 175.77 1a1r s TYR 131 N -2.49 0.12 -0.07 0.29 2.02 0.18 -0.47 117.35 116.94 1a1r s TYR 131 Ca 0.46 -0.06 -0.18 0.00 -0.37 0.00 0.00 57.07 56.92 1a1r s TYR 131 Cb -0.10 -0.59 -0.05 0.00 -0.40 0.00 0.00 41.96 40.82 1a1r s TYR 131 CO 0.38 -0.39 0.50 -1.17 -1.57 0.00 0.00 175.55 173.30 1a1r s LEU 132 N 2.16 4.35 -0.21 -1.29 0.20 0.76 -0.32 118.68 124.33 1a1r s LEU 132 Ca 0.03 0.93 -0.07 0.00 0.69 0.00 0.00 54.13 55.72 1a1r s LEU 132 Cb -0.14 -2.74 -0.03 0.00 -0.43 0.00 0.00 46.19 42.85 1a1r s LEU 132 CO -0.07 0.08 0.04 -0.69 -0.29 0.00 0.00 176.35 175.43 1a1r s VAL 133 N 0.13 4.39 0.66 1.68 1.01 -1.05 0.48 120.40 127.70 1a1r s VAL 133 Ca 0.27 -0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.07 1a1r s VAL 133 Cb -0.16 -3.00 0.08 0.00 0.00 0.00 0.00 36.38 33.29 1a1r s VAL 133 CO 0.13 0.41 0.92 0.42 0.00 0.00 0.00 175.10 176.98 1a1r s THR 134 N 0.91 2.38 -1.17 3.92 -4.23 -0.33 -4.41 115.64 112.72 1a1r s THR 134 Ca 0.03 -0.53 0.08 0.00 -1.18 0.00 0.00 61.69 60.10 1a1r s THR 134 Cb -0.14 -2.85 0.10 0.00 1.34 0.00 0.00 72.50 70.95 1a1r s THR 134 CO 0.02 0.00 1.22 -2.11 -0.54 0.00 0.00 174.62 173.21 1a1r n ARG 135 N -2.69 0.05 -0.21 3.99 1.85 -1.26 -1.05 116.66 117.34 1a1r n ARG 135 Ca 0.11 0.30 0.09 0.00 -1.00 0.00 0.00 57.85 57.34 1a1r n ARG 135 Cb 0.60 -1.50 0.20 0.00 -1.05 0.00 0.00 32.46 30.71 1a1r n ARG 135 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1a1r n HIS 136 N -1.42 0.55 -0.99 2.89 8.25 -1.26 -4.95 115.22 118.29 1a1r n HIS 136 Ca 0.03 -0.38 0.00 0.00 -0.26 0.00 0.00 57.72 57.11 1a1r n HIS 136 Cb 0.09 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.19 1a1r n HIS 136 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1a1r n ALA 137 N 1.04 0.00 -1.60 -1.41 0.00 -0.21 -5.02 120.51 113.31 1a1r n ALA 137 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.26 1a1r n ALA 137 Cb 0.50 -0.07 0.03 0.00 0.00 0.00 0.00 19.45 19.92 1a1r n ALA 137 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1a1r s ASP 138 N -2.49 5.28 -0.08 0.00 1.01 -1.26 -4.74 116.67 114.39 1a1r s ASP 138 Ca 0.00 2.08 0.04 0.00 0.71 0.00 0.00 52.55 55.39 1a1r s ASP 138 Cb 0.00 -2.56 -0.01 0.00 1.01 0.00 0.00 42.92 41.36 1a1r s ASP 138 CO 0.00 -1.52 -0.22 -0.69 0.21 0.00 0.00 175.17 172.95 1a1r s VAL 139 N -2.12 2.29 -0.21 -1.27 1.01 -1.26 -1.18 120.40 117.67 1a1r s VAL 139 Ca 0.69 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.72 1a1r s VAL 139 Cb -0.22 -1.87 0.04 0.00 0.00 0.00 0.00 36.38 34.33 1a1r s VAL 139 CO 0.37 0.56 -0.12 -0.63 0.00 0.00 0.00 175.10 175.27 1a1r s ILE 140 N 0.01 1.83 0.04 2.22 1.01 0.18 -4.92 121.20 121.56 1a1r s ILE 140 Ca -0.08 -1.11 -0.30 0.00 0.00 0.00 0.00 60.65 59.16 1a1r s ILE 140 Cb -0.15 -1.85 -0.07 0.00 0.01 0.00 0.00 42.46 40.40 1a1r s ILE 140 CO 0.05 0.21 1.52 -2.84 0.00 0.00 0.00 174.94 173.89 1a1r s PRO 141 N 1.32 4.24 -0.06 2.79 0.02 -1.26 -0.17 135.00 141.88 1a1r s PRO 141 Ca -0.01 2.15 0.04 0.00 0.02 0.00 0.00 61.00 63.19 1a1r s PRO 141 Cb -0.16 -3.57 0.00 0.00 0.02 0.00 0.00 34.50 30.79 1a1r s PRO 141 CO -0.09 -0.65 -0.17 0.08 -0.33 0.00 0.00 177.00 175.85 1a1r s VAL 142 N 2.46 1.42 -0.23 3.83 1.01 0.38 -1.42 120.40 127.85 1a1r s VAL 142 Ca 0.69 -0.69 -0.09 0.00 0.00 0.00 0.00 61.98 61.89 1a1r s VAL 142 Cb -0.36 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 1a1r s VAL 142 CO 0.29 0.41 0.11 -0.60 0.00 0.00 0.00 175.10 175.32 1a1r s ARG 143 N 0.24 3.94 0.37 2.72 3.00 0.48 0.12 118.95 129.82 1a1r s ARG 143 Ca -0.08 -0.34 -0.27 0.00 -1.00 0.00 0.00 55.73 54.03 1a1r s ARG 143 Cb -0.13 -3.39 -0.09 0.00 0.00 0.00 0.00 34.95 31.33 1a1r s ARG 143 CO 0.03 0.06 1.28 0.50 0.00 0.00 0.00 175.30 177.17 1a1r s ARG 144 N 1.00 4.18 -0.00 5.12 3.52 0.62 0.09 118.95 133.48 1a1r s ARG 144 Ca 0.06 2.12 0.02 0.00 -0.13 0.00 0.00 55.73 57.79 1a1r s ARG 144 Cb -0.14 -2.90 -0.02 0.00 -1.56 0.00 0.00 34.95 30.33 1a1r s ARG 144 CO 0.04 -0.30 0.06 0.54 -0.81 0.00 0.00 175.30 174.82 1a1r n ARG 145 N 0.46 3.69 -4.05 5.12 5.12 0.59 -4.86 116.66 122.73 1a1r n ARG 145 Ca 0.02 -0.01 0.05 0.00 -1.93 0.00 0.00 57.85 55.98 1a1r n ARG 145 Cb 0.43 -0.78 0.01 0.00 -1.16 0.00 0.00 32.46 30.96 1a1r n ARG 145 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1a1r s GLY 146 N -1.61 -0.21 0.26 -0.13 0.00 -1.03 -4.96 107.32 99.64 1a1r s GLY 146 Ca 0.00 0.15 0.06 0.00 0.00 0.00 0.00 44.72 44.93 1a1r s GLY 146 CO 0.07 7.05 1.24 1.22 0.00 0.00 0.00 173.10 182.69 1a1r n ASP 147 N -1.01 0.01 -2.60 1.64 8.00 -1.26 -2.55 116.55 118.78 1a1r n ASP 147 Ca 0.07 1.33 0.00 0.00 0.71 0.00 0.00 54.79 56.90 1a1r n ASP 147 Cb 0.58 -0.53 0.05 0.00 -0.02 0.00 0.00 41.12 41.19 1a1r n ASP 147 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1a1r n SER 148 N -5.02 1.52 -3.81 -2.24 3.41 -1.26 -4.54 113.62 101.68 1a1r n SER 148 Ca 0.22 -2.04 -0.12 0.00 -0.26 0.00 0.00 58.87 56.66 1a1r n SER 148 Cb 0.72 -0.45 -0.10 0.00 -0.26 0.00 0.00 64.21 64.12 1a1r n SER 148 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1a1r s ARG 149 N -3.19 0.42 0.04 4.33 3.00 -1.06 -1.77 118.95 120.73 1a1r s ARG 149 Ca 0.28 0.02 -0.13 0.00 -1.00 0.00 0.00 55.73 54.90 1a1r s ARG 149 Cb 0.33 0.19 0.02 0.00 0.00 0.00 0.00 34.95 35.49 1a1r s ARG 149 CO -0.06 -0.09 0.28 0.20 0.00 0.00 0.00 175.30 175.63 1a1r s GLY 150 N -0.61 -0.09 -0.13 8.12 0.00 -0.73 -0.30 107.32 113.57 1a1r s GLY 150 Ca -0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 44.72 44.62 1a1r s GLY 150 CO 0.02 -0.23 -0.11 -1.35 0.00 0.00 0.00 173.10 171.43 1a1r s SER 151 N -1.99 4.22 0.29 1.64 1.04 0.11 -0.19 113.70 118.81 1a1r s SER 151 Ca -0.06 -0.26 -0.29 0.00 0.48 0.00 0.00 55.95 55.81 1a1r s SER 151 Cb -0.01 -1.60 -0.10 0.00 0.10 0.00 0.00 66.02 64.41 1a1r s SER 151 CO -0.03 0.18 1.44 -0.76 0.98 0.00 0.00 173.24 175.05 1a1r s LEU 152 N 0.26 4.38 0.46 2.42 1.02 0.64 -0.39 118.68 127.47 1a1r s LEU 152 Ca -0.08 2.75 0.24 0.00 0.02 0.00 0.00 54.13 57.07 1a1r s LEU 152 Cb -0.15 -3.64 1.10 0.00 0.02 0.00 0.00 46.19 43.53 1a1r s LEU 152 CO 0.05 -0.71 1.92 -0.07 0.02 0.00 0.00 176.35 177.55 1a1r h LEU 153 N 4.41 0.00 -6.79 1.79 4.07 -1.55 -3.38 115.31 113.86 1a1r h LEU 153 Ca -0.47 0.00 -0.46 0.00 0.08 0.00 0.00 57.88 57.03 1a1r h LEU 153 Cb 1.22 0.00 -0.39 0.00 1.08 0.00 0.00 40.66 42.58 1a1r h LEU 153 CO 0.74 0.21 -0.73 -0.44 -1.08 0.00 0.00 178.44 177.14 1a1r s SER 154 N -6.26 2.71 0.62 -0.43 0.01 -1.26 -5.13 113.70 103.96 1a1r s SER 154 Ca -0.01 -0.93 -0.18 0.00 1.31 0.00 0.00 55.95 56.14 1a1r s SER 154 Cb 0.12 -0.09 -0.05 0.00 0.21 0.00 0.00 66.02 66.21 1a1r s SER 154 CO 0.63 -0.40 0.80 -2.65 0.41 0.00 0.00 173.24 172.03 1a1r n PRO 155 N 5.27 0.68 -4.12 12.44 -0.02 -1.26 -5.02 135.00 142.98 1a1r n PRO 155 Ca -0.05 0.27 -0.10 0.00 -2.02 0.00 0.00 63.50 61.60 1a1r n PRO 155 Cb 0.45 -2.02 -0.10 0.00 -0.02 0.00 0.00 33.50 31.81 1a1r n PRO 155 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1a1r s ARG 156 N -2.65 0.69 0.36 -0.52 3.00 -0.30 -4.95 118.95 114.58 1a1r s ARG 156 Ca 0.73 -1.16 -0.27 0.00 0.00 0.00 0.00 55.73 55.03 1a1r s ARG 156 Cb -0.41 -0.09 -0.12 0.00 0.00 0.00 0.00 34.95 34.34 1a1r s ARG 156 CO 0.50 -0.03 1.24 -2.30 0.00 0.00 0.00 175.30 174.70 1a1r n PRO 157 N 0.36 1.95 -0.30 3.54 -0.02 -1.26 0.19 135.00 139.44 1a1r n PRO 157 Ca -0.15 0.69 0.18 0.00 -2.02 0.00 0.00 63.50 62.19 1a1r n PRO 157 Cb 0.59 -2.27 0.44 0.00 -0.02 0.00 0.00 33.50 32.24 1a1r n PRO 157 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1a1r h ILE 158 N 2.30 0.66 -0.96 4.25 2.10 -1.15 0.34 117.51 125.05 1a1r h ILE 158 Ca -0.46 -0.19 0.10 0.00 1.08 0.00 0.00 64.86 65.40 1a1r h ILE 158 Cb 1.30 0.07 -0.07 0.00 -1.09 0.00 0.00 36.82 37.02 1a1r h ILE 158 CO 0.61 0.10 0.62 0.77 -1.08 0.00 0.00 178.15 179.17 1a1r h SER 159 N 0.54 0.90 -0.72 2.19 4.64 -1.88 0.15 113.55 119.38 1a1r h SER 159 Ca 0.54 0.03 0.20 0.00 -0.47 0.00 0.00 61.79 62.09 1a1r h SER 159 Cb 1.14 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 63.04 1a1r h SER 159 CO -0.28 0.51 0.51 0.22 -0.87 0.00 0.00 176.83 176.93 1a1r h TYR 160 N 0.98 0.04 -0.01 4.77 3.20 -1.25 0.13 116.97 124.82 1a1r h TYR 160 Ca 0.46 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.33 1a1r h TYR 160 Cb 0.41 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.67 1a1r h TYR 160 CO -0.00 0.01 -0.57 1.28 -1.64 0.00 0.00 178.16 177.24 1a1r n LEU 161 N -4.34 1.74 -4.77 2.82 4.32 -0.01 -4.92 117.00 111.84 1a1r n LEU 161 Ca 0.14 -0.70 -0.41 0.00 -0.02 0.00 0.00 56.01 55.03 1a1r n LEU 161 Cb 0.77 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.57 1a1r n LEU 161 CO 0.37 0.34 1.09 -0.54 -1.22 0.00 0.00 177.39 177.43 1a1r s LYS 162 N -2.51 4.01 0.00 3.23 1.02 0.03 -2.47 119.74 123.06 1a1r s LYS 162 Ca 0.15 2.47 0.00 0.00 0.02 0.00 0.00 55.97 58.61 1a1r s LYS 162 Cb 0.17 -2.88 0.00 0.00 -0.52 0.00 0.00 37.83 34.60 1a1r s LYS 162 CO 0.61 -0.57 0.00 0.41 -0.92 0.00 0.00 175.35 174.88 1a1r n GLY 163 N 0.54 0.53 0.64 -3.33 0.00 -1.26 -4.83 105.19 97.48 1a1r n GLY 163 Ca 0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.13 1a1r n GLY 163 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1a1r n SER 164 N -0.13 2.31 -4.72 1.61 7.64 -1.03 -3.73 113.62 115.56 1a1r n SER 164 Ca 0.00 -1.66 -0.42 0.00 1.01 0.00 0.00 58.87 57.81 1a1r n SER 164 Cb 0.07 0.12 -0.03 0.00 -1.01 0.00 0.00 64.21 63.36 1a1r n SER 164 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1a1r s SER 165 N -1.64 6.61 0.00 6.43 1.04 -1.26 -1.34 113.70 123.54 1a1r s SER 165 Ca 0.19 2.62 0.00 0.00 0.48 0.00 0.00 55.95 59.24 1a1r s SER 165 Cb 0.15 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.67 1a1r s SER 165 CO 0.28 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.32 1a1r n GLY 166 N 3.33 1.96 3.72 7.32 0.00 0.25 -1.91 105.19 119.87 1a1r n GLY 166 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1a1r n GLY 166 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a1r s GLY 167 N -2.14 1.57 0.27 -0.02 0.00 -0.45 -3.51 107.32 103.05 1a1r s GLY 167 Ca 0.00 -0.52 -0.07 0.00 0.00 0.00 0.00 44.72 44.13 1a1r s GLY 167 CO 0.00 0.10 0.56 2.56 0.00 0.00 0.00 173.10 176.32 1a1r s PRO 168 N -5.17 3.70 -0.33 2.90 0.04 -1.26 -0.37 135.00 134.50 1a1r s PRO 168 Ca 0.65 0.13 0.01 0.00 0.04 0.00 0.00 61.00 61.83 1a1r s PRO 168 Cb -0.16 -2.63 0.09 0.00 0.04 0.00 0.00 34.50 31.84 1a1r s PRO 168 CO 0.55 0.23 0.05 -0.51 0.04 0.00 0.00 177.00 177.37 1a1r s LEU 169 N -3.31 4.47 0.11 -3.56 1.43 -0.26 -2.54 118.68 115.03 1a1r s LEU 169 Ca 0.46 -1.81 -0.13 0.00 -1.03 0.00 0.00 54.13 51.62 1a1r s LEU 169 Cb -0.11 -1.68 -0.06 0.00 0.03 0.00 0.00 46.19 44.37 1a1r s LEU 169 CO 0.27 -0.36 0.48 -0.76 0.23 0.00 0.00 176.35 176.21 1a1r s LEU 170 N 1.07 4.35 0.85 1.79 1.43 0.56 0.19 118.68 128.93 1a1r s LEU 170 Ca 0.03 0.96 -0.08 0.00 -1.03 0.00 0.00 54.13 54.01 1a1r s LEU 170 Cb -0.20 -3.11 0.17 0.00 0.03 0.00 0.00 46.19 43.08 1a1r s LEU 170 CO -0.05 0.15 1.17 0.00 0.23 0.00 0.00 176.35 177.84 1a1r h PRO 172 N -1.12 0.00 -0.20 0.00 0.11 -1.91 -0.80 132.00 128.08 1a1r h PRO 172 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1a1r h PRO 172 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1a1r h PRO 172 CO 0.37 0.00 0.00 2.41 -0.21 0.00 0.00 178.00 180.57 1a1r n THR 173 N -2.38 0.23 -0.95 -1.15 -1.04 -1.26 -4.95 114.28 102.78 1a1r n THR 173 Ca -0.02 -0.59 0.00 0.00 -2.04 0.00 0.00 64.05 61.40 1a1r n THR 173 Cb 0.16 1.18 0.00 0.00 -1.82 0.00 0.00 70.33 69.85 1a1r n THR 173 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1a1r n GLY 174 N 1.41 0.52 3.86 3.41 0.00 -0.31 -5.04 105.19 109.05 1a1r n GLY 174 Ca 0.17 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1a1r n GLY 174 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1a1r s HIS 175 N -2.00 3.48 -0.01 1.61 3.76 -1.26 -4.80 115.29 116.07 1a1r s HIS 175 Ca 0.00 0.94 -0.30 0.00 -0.15 0.00 0.00 55.06 55.55 1a1r s HIS 175 Cb 0.00 -2.30 -0.07 0.00 1.11 0.00 0.00 32.58 31.32 1a1r s HIS 175 CO 0.00 0.31 1.78 0.00 -0.85 0.00 0.00 174.74 175.99 1a1r s ALA 176 N -1.71 3.61 -0.20 -1.40 0.00 0.75 -1.63 121.76 121.18 1a1r s ALA 176 Ca 0.45 1.12 0.01 0.00 0.00 0.00 0.00 51.96 53.53 1a1r s ALA 176 Cb -0.12 -3.78 -0.21 0.00 0.00 0.00 0.00 23.12 19.00 1a1r s ALA 176 CO 0.20 -1.45 0.03 0.28 0.00 0.00 0.00 175.76 174.82 1a1r n VAL 177 N 5.46 1.59 -3.87 0.00 0.31 0.13 -0.43 118.33 121.52 1a1r n VAL 177 Ca 0.18 -0.63 0.02 0.00 -0.01 0.00 0.00 64.34 63.91 1a1r n VAL 177 Cb 0.42 -1.45 0.01 0.00 -0.91 0.00 0.00 33.84 31.91 1a1r n VAL 177 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1a1r s GLY 178 N -6.07 -0.21 -0.18 2.92 0.00 -1.14 -1.73 107.32 100.90 1a1r s GLY 178 Ca -0.28 0.24 -0.08 0.00 0.00 0.00 0.00 44.72 44.61 1a1r s GLY 178 CO 0.68 3.80 0.07 1.08 0.00 0.00 0.00 173.10 178.72 1a1r s LEU 179 N -3.54 3.82 -0.07 0.66 1.02 0.58 -1.10 118.68 120.06 1a1r s LEU 179 Ca 0.24 0.08 -0.29 0.00 0.02 0.00 0.00 54.13 54.18 1a1r s LEU 179 Cb 0.01 -1.97 -0.07 0.00 0.02 0.00 0.00 46.19 44.18 1a1r s LEU 179 CO -0.02 0.17 1.99 0.12 0.02 0.00 0.00 176.35 178.64 1a1r s PHE 180 N 0.41 1.36 -0.21 0.29 5.36 0.50 -0.59 117.98 125.09 1a1r s PHE 180 Ca 0.03 -0.04 -0.18 0.00 -0.96 0.00 0.00 56.93 55.78 1a1r s PHE 180 Cb -0.12 -4.11 -0.15 0.00 -0.34 0.00 0.00 43.02 38.29 1a1r s PHE 180 CO 0.00 -4.80 0.03 -2.13 -1.46 0.00 0.00 175.22 166.86 1a1r n ARG 181 N 7.90 0.56 -3.49 10.12 0.63 0.15 -0.58 116.66 131.94 1a1r n ARG 181 Ca 0.23 0.49 -0.15 0.00 -0.92 0.00 0.00 57.85 57.50 1a1r n ARG 181 Cb 0.43 -1.68 -0.04 0.00 0.45 0.00 0.00 32.46 31.62 1a1r n ARG 181 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1a1r s ALA 182 N -2.46 -1.60 -0.17 5.13 0.00 -0.61 -4.81 121.76 117.23 1a1r s ALA 182 Ca -0.29 0.82 -0.20 0.00 0.00 0.00 0.00 51.96 52.28 1a1r s ALA 182 Cb 0.07 0.45 -0.03 0.00 0.00 0.00 0.00 23.12 23.61 1a1r s ALA 182 CO 0.52 -0.56 0.59 0.00 0.00 0.00 0.00 175.76 176.30 1a1r s ALA 183 N -2.52 3.51 -0.54 0.00 0.00 -1.26 0.65 121.76 121.60 1a1r s ALA 183 Ca -0.05 -0.25 -0.17 0.00 0.00 0.00 0.00 51.96 51.49 1a1r s ALA 183 Cb -0.01 -2.89 0.10 0.00 0.00 0.00 0.00 23.12 20.33 1a1r s ALA 183 CO -0.02 -0.41 0.54 0.08 0.00 0.00 0.00 175.76 175.96 1a1r s VAL 184 N 1.56 5.08 0.14 0.00 1.01 -0.71 -4.94 120.40 122.54 1a1r s VAL 184 Ca 0.28 -1.19 0.09 0.00 0.00 0.00 0.00 61.98 61.16 1a1r s VAL 184 Cb -0.16 -4.33 -0.04 0.00 0.00 0.00 0.00 36.38 31.85 1a1r s VAL 184 CO 0.11 -0.87 -0.20 0.00 0.00 0.00 0.00 175.10 174.14 1a1r n THR 186 N 0.60 0.00 -1.26 0.00 -1.04 -0.95 -4.80 114.28 106.83 1a1r n THR 186 Ca -0.16 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.49 1a1r n THR 186 Cb 0.56 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 69.03 1a1r n THR 186 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1a1r n ARG 187 N 0.00 3.54 0.00 -2.82 1.74 -1.26 -4.30 116.66 113.56 1a1r n ARG 187 Ca 0.00 -2.10 0.00 0.00 -0.77 0.00 0.00 57.85 54.98 1a1r n ARG 187 Cb 0.00 -2.74 0.00 0.00 -1.02 0.00 0.00 32.46 28.70 1a1r n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a1r n GLY 188 N 3.54 1.57 3.55 -0.13 0.00 -1.26 -5.02 105.19 107.43 1a1r n GLY 188 Ca 0.75 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.40 1a1r n GLY 188 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a1r s VAL 189 N -2.51 5.00 -0.27 1.61 1.01 -1.26 -0.54 120.40 123.43 1a1r s VAL 189 Ca 0.00 0.06 -0.29 0.00 0.00 0.00 0.00 61.98 61.75 1a1r s VAL 189 Cb 0.00 -3.37 0.01 0.00 0.00 0.00 0.00 36.38 33.02 1a1r s VAL 189 CO 0.00 0.28 1.16 0.00 0.00 0.00 0.00 175.10 176.54 1a1r s ALA 190 N 1.68 3.53 -0.03 5.51 0.00 0.13 -2.23 121.76 130.35 1a1r s ALA 190 Ca 0.07 0.12 0.09 0.00 0.00 0.00 0.00 51.96 52.24 1a1r s ALA 190 Cb -0.16 -3.67 -0.13 0.00 0.00 0.00 0.00 23.12 19.16 1a1r s ALA 190 CO 0.08 -1.42 0.17 1.63 0.00 0.00 0.00 175.76 176.22 1a1r n LYS 191 N 6.84 0.70 -4.30 0.00 5.02 -1.15 -1.15 118.16 124.11 1a1r n LYS 191 Ca 0.13 -0.07 -0.17 0.00 -2.02 0.00 0.00 58.31 56.18 1a1r n LYS 191 Cb 0.46 -1.22 -0.10 0.00 -0.02 0.00 0.00 35.03 34.16 1a1r n LYS 191 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1a1r s ALA 192 N -2.56 1.74 0.02 7.82 0.00 -1.05 -0.26 121.76 127.46 1a1r s ALA 192 Ca -0.03 -1.79 0.01 0.00 0.00 0.00 0.00 51.96 50.15 1a1r s ALA 192 Cb 0.05 1.19 -0.01 0.00 0.00 0.00 0.00 23.12 24.35 1a1r s ALA 192 CO 0.37 -0.52 -0.05 0.08 0.00 0.00 0.00 175.76 175.65 1a1r s VAL 193 N -3.75 0.33 -0.09 0.00 1.01 0.73 -1.74 120.40 116.89 1a1r s VAL 193 Ca 0.37 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 1a1r s VAL 193 Cb 0.06 -0.36 -0.03 0.00 0.00 0.00 0.00 36.38 36.06 1a1r s VAL 193 CO 0.16 -0.16 -0.05 -0.62 0.00 0.00 0.00 175.10 174.42 1a1r s ASP 194 N -0.78 4.76 0.20 3.32 2.15 0.21 -1.77 116.67 124.76 1a1r s ASP 194 Ca -0.05 -0.02 -0.07 0.00 0.43 0.00 0.00 52.55 52.83 1a1r s ASP 194 Cb -0.06 -1.36 -0.02 0.00 -0.30 0.00 0.00 42.92 41.19 1a1r s ASP 194 CO -0.00 0.32 0.29 0.72 -0.17 0.00 0.00 175.17 176.33 1a1r s PHE 195 N -0.55 0.65 -0.39 -5.34 -0.12 -0.73 0.31 117.98 111.82 1a1r s PHE 195 Ca 0.08 -0.97 -0.10 0.00 -0.05 0.00 0.00 56.93 55.89 1a1r s PHE 195 Cb -0.12 -0.15 0.05 0.00 -0.63 0.00 0.00 43.02 42.17 1a1r s PHE 195 CO 0.02 -0.78 0.22 0.42 -0.05 0.00 0.00 175.22 175.05 1a1r s ILE 196 N -4.05 4.42 0.63 -4.49 1.01 0.24 -4.64 121.20 114.32 1a1r s ILE 196 Ca 0.26 -1.07 -0.18 0.00 0.00 0.00 0.00 60.65 59.67 1a1r s ILE 196 Cb 0.03 -3.55 -0.02 0.00 0.01 0.00 0.00 42.46 38.94 1a1r s ILE 196 CO 0.07 -0.33 1.24 -2.16 0.00 0.00 0.00 174.94 173.76 1a1r s PRO 197 N 1.50 2.71 0.56 2.79 0.04 -1.26 -0.31 135.00 141.03 1a1r s PRO 197 Ca 0.02 1.90 0.24 0.00 0.04 0.00 0.00 61.00 63.19 1a1r s PRO 197 Cb -0.21 -1.89 1.54 0.00 0.04 0.00 0.00 34.50 33.99 1a1r s PRO 197 CO 0.05 -1.43 2.15 -0.39 0.04 0.00 0.00 177.00 177.42 1a1r h VAL 198 N 0.59 0.71 -0.59 -0.36 -1.51 -1.63 -1.06 116.25 112.41 1a1r h VAL 198 Ca -0.50 0.00 0.03 0.00 -1.23 0.00 0.00 66.70 65.00 1a1r h VAL 198 Cb 1.31 0.94 -0.03 0.00 -2.13 0.00 0.00 31.29 31.37 1a1r h VAL 198 CO 0.54 0.00 0.39 -0.33 -1.23 0.00 0.00 177.57 176.94 1a1r h GLU 199 N 0.00 0.67 -0.05 5.19 3.07 -1.91 0.72 114.58 122.28 1a1r h GLU 199 Ca 0.05 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1a1r h GLU 199 Cb 0.22 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 27.98 1a1r h GLU 199 CO -0.00 0.45 0.02 -0.91 -1.40 0.00 0.00 179.01 177.16 1a1r h ASN 200 N 0.69 0.07 -0.07 1.42 -0.26 -1.55 0.76 115.58 116.64 1a1r h ASN 200 Ca 0.23 -0.19 0.03 0.00 -0.56 0.00 0.00 56.30 55.81 1a1r h ASN 200 Cb 0.08 -0.02 -0.03 0.00 -1.06 0.00 0.00 38.32 37.29 1a1r h ASN 200 CO -0.06 0.24 -0.09 -0.07 -1.06 0.00 0.00 177.43 176.39 1a1r h LEU 201 N -0.11 -0.26 -0.45 1.61 4.07 -1.41 0.16 115.31 118.92 1a1r h LEU 201 Ca 0.02 0.05 0.08 0.00 0.08 0.00 0.00 57.88 58.10 1a1r h LEU 201 Cb 0.19 0.13 -0.07 0.00 1.08 0.00 0.00 40.66 41.99 1a1r h LEU 201 CO -0.00 -0.12 0.06 -0.33 -1.08 0.00 0.00 178.44 176.97 1a1r h GLU 202 N -0.12 0.17 -0.49 1.13 5.08 -0.66 -0.65 114.58 119.05 1a1r h GLU 202 Ca 0.06 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.32 1a1r h GLU 202 Cb 0.20 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1a1r h GLU 202 CO -0.14 0.12 -0.04 1.79 -1.00 0.00 0.00 179.01 179.74 1a1r h THR 203 N 0.18 1.27 -0.46 1.13 1.35 -0.44 -2.46 112.91 113.47 1a1r h THR 203 Ca 0.22 -1.14 0.11 0.00 -0.55 0.00 0.00 66.41 65.06 1a1r h THR 203 Cb 0.30 1.02 -0.02 0.00 -1.73 0.00 0.00 68.15 67.72 1a1r h THR 203 CO -0.32 0.40 0.32 0.74 -0.25 0.00 0.00 175.52 176.41 1a1r h THR 204 N 0.74 0.83 -0.05 6.82 2.02 0.24 0.12 112.91 123.64 1a1r h THR 204 Ca 0.13 -0.05 -0.03 0.00 0.77 0.00 0.00 66.41 67.23 1a1r h THR 204 Cb 0.57 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 1a1r h THR 204 CO 0.03 0.03 0.04 0.23 0.37 0.00 0.00 175.52 176.22 1a1r n MET 205 N -4.44 1.08 0.00 6.66 2.00 -0.34 -5.03 117.12 117.04 1a1r n MET 205 Ca 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 57.70 57.61 1a1r n MET 205 Cb 0.44 -1.06 0.00 0.00 0.00 0.00 0.00 33.22 32.59 1a1r n MET 205 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51