#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a3r s ILE 2 N 0.00 4.95 -0.12 0.53 1.01 -1.26 -5.01 121.20 121.30 1a3r s ILE 2 Ca 0.00 1.46 -0.17 0.00 0.00 0.00 0.00 60.65 61.94 1a3r s ILE 2 Cb 0.00 -4.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 1a3r s ILE 2 CO 0.00 0.09 0.42 -0.69 0.00 0.00 0.00 174.94 174.76 1a3r s VAL 3 N 1.82 5.21 -0.24 2.92 1.01 -1.26 -4.83 120.40 125.04 1a3r s VAL 3 Ca 0.35 0.83 -0.07 0.00 0.00 0.00 0.00 61.98 63.09 1a3r s VAL 3 Cb -0.17 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 1a3r s VAL 3 CO 0.13 0.36 0.05 -0.04 0.00 0.00 0.00 175.10 175.61 1a3r s MET 4 N 0.46 3.65 -0.23 2.72 1.00 -1.26 -1.78 119.30 123.86 1a3r s MET 4 Ca 0.23 -0.48 -0.02 0.00 0.00 0.00 0.00 55.69 55.41 1a3r s MET 4 Cb -0.15 -3.27 0.01 0.00 0.00 0.00 0.00 34.83 31.42 1a3r s MET 4 CO 0.09 -0.14 -0.07 0.99 0.00 0.00 0.00 175.02 175.89 1a3r s THR 5 N 1.47 3.03 0.06 2.05 2.01 0.41 -4.40 115.64 120.27 1a3r s THR 5 Ca 0.06 -0.77 0.03 0.00 0.31 0.00 0.00 61.69 61.32 1a3r s THR 5 Cb -0.15 -2.44 -0.04 0.00 0.01 0.00 0.00 72.50 69.89 1a3r s THR 5 CO 0.03 0.34 0.03 -1.10 -0.69 0.00 0.00 174.62 173.23 1a3r s GLN 6 N 1.40 2.74 -0.14 4.92 -0.21 -1.26 -0.60 119.66 126.51 1a3r s GLN 6 Ca 0.03 -0.72 -0.28 0.00 0.02 0.00 0.00 55.36 54.41 1a3r s GLN 6 Cb -0.15 -2.65 0.07 0.00 1.00 0.00 0.00 33.01 31.28 1a3r s GLN 6 CO -0.05 0.57 0.69 -1.54 -2.12 0.00 0.00 175.29 172.84 1a3r s SER 7 N -2.14 -0.69 0.85 5.90 1.04 -0.70 -4.62 113.70 113.35 1a3r s SER 7 Ca 0.25 1.00 -0.13 0.00 0.48 0.00 0.00 55.95 57.56 1a3r s SER 7 Cb -0.12 0.91 0.11 0.00 0.10 0.00 0.00 66.02 67.02 1a3r s SER 7 CO 0.18 -0.46 1.21 -2.16 0.98 0.00 0.00 173.24 172.98 1a3r s PRO 8 N -0.56 1.58 0.26 4.02 0.04 -1.26 -1.01 135.00 138.07 1a3r s PRO 8 Ca -0.07 0.01 0.14 0.00 0.04 0.00 0.00 61.00 61.12 1a3r s PRO 8 Cb -0.02 -1.92 0.12 0.00 0.04 0.00 0.00 34.50 32.73 1a3r s PRO 8 CO 0.06 -1.84 1.46 0.66 0.04 0.00 0.00 177.00 177.39 1a3r h SER 9 N -1.23 0.00 -4.26 6.66 4.64 -1.82 -3.41 113.55 114.14 1a3r h SER 9 Ca -0.46 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.66 1a3r h SER 9 Cb 1.31 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.15 1a3r h SER 9 CO 0.59 0.59 -0.70 -0.55 -0.87 0.00 0.00 176.83 175.90 1a3r s SER 10 N -6.52 0.09 -0.10 4.97 0.15 -1.26 -0.98 113.70 110.05 1a3r s SER 10 Ca 0.02 -0.19 -0.04 0.00 0.70 0.00 0.00 55.95 56.44 1a3r s SER 10 Cb 0.09 0.05 0.05 0.00 -1.71 0.00 0.00 66.02 64.50 1a3r s SER 10 CO 0.75 -0.13 0.22 -0.22 1.20 0.00 0.00 173.24 175.07 1a3r s LEU 11 N -0.61 0.18 -0.23 3.45 2.96 0.31 -4.91 118.68 119.83 1a3r s LEU 11 Ca -0.07 0.48 -0.03 0.00 -0.22 0.00 0.00 54.13 54.30 1a3r s LEU 11 Cb -0.04 0.60 0.00 0.00 0.50 0.00 0.00 46.19 47.26 1a3r s LEU 11 CO -0.00 -0.20 -0.06 -0.89 -1.32 0.00 0.00 176.35 173.88 1a3r s THR 12 N 1.73 3.11 0.19 3.68 2.01 -1.26 -0.54 115.64 124.57 1a3r s THR 12 Ca -0.04 -0.69 0.04 0.00 0.31 0.00 0.00 61.69 61.30 1a3r s THR 12 Cb -0.11 -2.46 -0.05 0.00 0.01 0.00 0.00 72.50 69.89 1a3r s THR 12 CO -0.08 0.37 -0.04 0.68 -0.69 0.00 0.00 174.62 174.86 1a3r s VAL 13 N 1.42 1.05 0.03 3.82 -7.23 -0.54 -4.88 120.40 114.08 1a3r s VAL 13 Ca 0.04 -2.04 -0.01 0.00 -1.81 0.00 0.00 61.98 58.17 1a3r s VAL 13 Cb -0.15 -2.13 -0.04 0.00 0.56 0.00 0.00 36.38 34.62 1a3r s VAL 13 CO -0.05 -0.50 0.18 0.42 -0.31 0.00 0.00 175.10 174.84 1a3r s THR 14 N -3.41 5.29 0.24 5.32 -4.23 -1.26 -0.05 115.64 117.54 1a3r s THR 14 Ca 0.23 -0.35 -0.31 0.00 -1.18 0.00 0.00 61.69 60.09 1a3r s THR 14 Cb 0.04 -3.53 -0.14 0.00 1.34 0.00 0.00 72.50 70.21 1a3r s THR 14 CO 0.05 0.21 1.23 0.35 -0.54 0.00 0.00 174.62 175.93 1a3r n THR 15 N 0.58 1.25 0.00 3.99 -2.24 -1.26 -2.50 114.28 114.10 1a3r n THR 15 Ca -0.08 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1a3r n THR 15 Cb 0.52 -1.18 0.00 0.00 -2.10 0.00 0.00 70.33 67.57 1a3r n THR 15 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a3r n GLY 16 N 1.78 3.29 3.89 3.38 0.00 -0.23 -4.93 105.19 112.37 1a3r n GLY 16 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1a3r n GLY 16 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1a3r s GLU 17 N -0.63 2.95 -0.10 1.61 -1.05 -1.04 -3.84 118.70 116.61 1a3r s GLU 17 Ca 0.00 0.39 -0.22 0.00 -0.15 0.00 0.00 54.97 54.99 1a3r s GLU 17 Cb 0.00 -2.08 -0.04 0.00 -0.44 0.00 0.00 34.13 31.57 1a3r s GLU 17 CO 0.00 -0.91 0.64 0.21 0.95 0.00 0.00 175.26 176.15 1a3r s LYS 18 N -5.26 4.39 0.03 -4.83 2.20 -1.26 -2.18 119.74 112.83 1a3r s LYS 18 Ca 0.57 0.74 0.04 0.00 -0.36 0.00 0.00 55.97 56.96 1a3r s LYS 18 Cb -0.11 -3.46 -0.04 0.00 -1.51 0.00 0.00 37.83 32.72 1a3r s LYS 18 CO 0.50 0.05 -0.06 0.08 -0.36 0.00 0.00 175.35 175.56 1a3r s VAL 19 N 0.89 3.65 -0.06 4.02 1.01 -0.37 -4.97 120.40 124.58 1a3r s VAL 19 Ca 0.34 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.41 1a3r s VAL 19 Cb -0.17 -2.63 0.04 0.00 0.00 0.00 0.00 36.38 33.62 1a3r s VAL 19 CO 0.15 0.31 0.12 -0.89 0.00 0.00 0.00 175.10 174.79 1a3r s THR 20 N -1.07 -0.09 0.08 3.92 2.01 -1.26 -1.33 115.64 117.90 1a3r s THR 20 Ca 0.19 0.23 0.07 0.00 0.31 0.00 0.00 61.69 62.49 1a3r s THR 20 Cb -0.11 -0.21 -0.03 0.00 0.01 0.00 0.00 72.50 72.16 1a3r s THR 20 CO 0.10 0.10 -0.18 0.00 -0.69 0.00 0.00 174.62 173.94 1a3r s MET 21 N 1.39 1.04 0.07 4.92 0.23 -0.48 -4.86 119.30 121.61 1a3r s MET 21 Ca -0.06 -1.05 0.06 0.00 -1.03 0.00 0.00 55.69 53.61 1a3r s MET 21 Cb -0.12 -1.19 -0.04 0.00 -1.53 0.00 0.00 34.83 31.95 1a3r s MET 21 CO -0.05 0.28 -0.10 0.99 -2.03 0.00 0.00 175.02 174.10 1a3r s THR 22 N -1.14 3.35 -0.09 3.16 2.01 -0.18 -1.46 115.64 121.29 1a3r s THR 22 Ca 0.04 -1.15 -0.02 0.00 0.31 0.00 0.00 61.69 60.87 1a3r s THR 22 Cb -0.10 -2.52 0.03 0.00 0.01 0.00 0.00 72.50 69.92 1a3r s THR 22 CO 0.03 0.20 0.02 0.00 -0.69 0.00 0.00 174.62 174.19 1a3r s LYS 24 N 2.00 2.25 0.11 0.00 1.02 0.23 -1.30 119.74 124.04 1a3r s LYS 24 Ca 0.04 -0.86 0.07 0.00 0.02 0.00 0.00 55.97 55.25 1a3r s LYS 24 Cb -0.13 -2.23 -0.04 0.00 -0.52 0.00 0.00 37.83 34.91 1a3r s LYS 24 CO -0.06 0.58 -0.11 -1.54 -0.92 0.00 0.00 175.35 173.30 1a3r s SER 25 N -0.98 4.34 0.13 2.83 1.04 -0.51 -0.45 113.70 120.11 1a3r s SER 25 Ca 0.12 -0.41 0.21 0.00 0.48 0.00 0.00 55.95 56.35 1a3r s SER 25 Cb -0.10 -0.80 0.85 0.00 0.10 0.00 0.00 66.02 66.06 1a3r s SER 25 CO 0.02 0.18 1.64 -1.54 0.98 0.00 0.00 173.24 174.52 1a3r n SER 26 N 0.70 0.37 -3.86 7.02 3.41 -0.74 -4.79 113.62 115.74 1a3r n SER 26 Ca -0.14 0.58 -0.10 0.00 -0.26 0.00 0.00 58.87 58.95 1a3r n SER 26 Cb 0.52 -0.66 -0.08 0.00 -0.26 0.00 0.00 64.21 63.72 1a3r n SER 26 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1a3r s GLN 27 N -3.15 0.69 0.00 4.33 -0.21 -1.26 -4.99 119.66 115.07 1a3r s GLN 27 Ca 0.07 -0.69 0.00 0.00 0.02 0.00 0.00 55.36 54.76 1a3r s GLN 27 Cb 0.10 0.28 0.00 0.00 1.00 0.00 0.00 33.01 34.39 1a3r s GLN 27 CO 0.37 -0.20 0.00 0.45 -2.12 0.00 0.00 175.29 173.80 1a3r n SER 27 N 0.63 -1.08 -0.87 5.90 2.88 -1.26 -4.72 113.62 115.09 1a3r n SER 27 Ca -0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 1a3r n SER 27 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 1a3r n SER 27 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1a3r n LEU 27 N 0.00 -3.70 -4.52 2.46 7.94 -1.26 -5.01 117.00 112.91 1a3r n LEU 27 Ca 0.00 1.55 -0.40 0.00 -1.11 0.00 0.00 56.01 56.05 1a3r n LEU 27 Cb 0.00 -0.98 -0.11 0.00 0.53 0.00 0.00 43.42 42.87 1a3r n LEU 27 CO 0.00 -0.22 -0.13 0.21 -1.11 0.00 0.00 177.39 176.15 1a3r s ASN 27 N -1.69 6.02 0.22 1.96 3.84 -0.58 -4.98 114.94 119.73 1a3r s ASN 27 Ca 0.00 -0.46 -0.08 0.00 0.21 0.00 0.00 52.86 52.52 1a3r s ASN 27 Cb 0.00 -2.13 0.19 0.00 -0.55 0.00 0.00 41.25 38.77 1a3r s ASN 27 CO 0.00 -0.24 1.88 0.28 -2.79 0.00 0.00 177.10 176.23 1a3r h SER 27 N 8.49 1.01 -0.37 -4.21 0.02 -1.97 0.36 113.55 116.88 1a3r h SER 27 Ca -0.31 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.57 1a3r h SER 27 Cb 1.15 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.42 1a3r h SER 27 CO 0.64 0.75 0.15 -0.09 -1.14 0.00 0.00 176.83 177.14 1a3r h ARG 27 N 1.17 0.55 0.00 3.45 2.43 -1.98 -3.19 114.38 116.82 1a3r h ARG 27 Ca 0.31 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1a3r h ARG 27 Cb -0.09 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.37 1a3r h ARG 27 CO -0.06 0.53 -0.84 0.25 -1.51 0.00 0.00 179.97 178.34 1a3r n THR 28 N -4.68 0.16 -2.88 0.20 -2.24 -1.19 -4.98 114.28 98.68 1a3r n THR 28 Ca -0.01 -0.18 -0.22 0.00 -2.27 0.00 0.00 64.05 61.37 1a3r n THR 28 Cb 0.14 0.20 0.02 0.00 -2.10 0.00 0.00 70.33 68.59 1a3r n THR 28 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a3r n GLN 29 N -1.87 -3.99 -4.41 -0.78 1.13 0.13 -5.00 117.38 102.59 1a3r n GLN 29 Ca 0.03 0.90 -0.26 0.00 -1.94 0.00 0.00 57.00 55.73 1a3r n GLN 29 Cb 0.41 -5.70 -0.13 0.00 0.11 0.00 0.00 30.24 24.93 1a3r n GLN 29 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1a3r s LYS 30 N -5.55 1.30 -0.24 -1.09 1.02 -1.20 -4.94 119.74 109.04 1a3r s LYS 30 Ca 0.23 -1.20 -0.09 0.00 0.02 0.00 0.00 55.97 54.94 1a3r s LYS 30 Cb -0.10 -1.62 -0.04 0.00 -0.52 0.00 0.00 37.83 35.54 1a3r s LYS 30 CO 0.28 0.39 0.12 -0.80 -0.92 0.00 0.00 175.35 174.42 1a3r s ASN 31 N -1.82 5.66 -1.22 2.83 0.01 -1.26 -1.53 114.94 117.62 1a3r s ASN 31 Ca 0.10 -0.03 -0.10 0.00 -0.71 0.00 0.00 52.86 52.11 1a3r s ASN 31 Cb -0.10 -2.02 0.19 0.00 0.41 0.00 0.00 41.25 39.74 1a3r s ASN 31 CO 0.04 0.03 1.59 -1.22 -1.51 0.00 0.00 177.10 176.03 1a3r n TYR 32 N 4.52 3.89 -5.10 2.20 4.02 -1.26 -3.01 117.16 122.41 1a3r n TYR 32 Ca -0.15 -3.10 -0.31 0.00 -0.01 0.00 0.00 57.90 54.33 1a3r n TYR 32 Cb 0.52 -1.95 -0.17 0.00 -0.02 0.00 0.00 39.34 37.72 1a3r n TYR 32 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1a3r s LEU 33 N 0.14 2.03 -0.04 7.72 1.98 -1.26 -1.67 118.68 127.57 1a3r s LEU 33 Ca 0.39 -0.53 0.07 0.00 -2.89 0.00 0.00 54.13 51.17 1a3r s LEU 33 Cb 0.02 -1.33 -0.02 0.00 0.66 0.00 0.00 46.19 45.53 1a3r s LEU 33 CO 0.01 0.14 -0.23 -0.89 -1.89 0.00 0.00 176.35 173.48 1a3r s THR 34 N 0.41 2.25 -0.08 3.68 2.01 -0.65 -1.24 115.64 122.02 1a3r s THR 34 Ca -0.18 -1.02 0.00 0.00 0.31 0.00 0.00 61.69 60.80 1a3r s THR 34 Cb -0.18 -1.81 -0.03 0.00 0.01 0.00 0.00 72.50 70.50 1a3r s THR 34 CO 0.08 0.58 -0.07 0.26 -0.69 0.00 0.00 174.62 174.77 1a3r s TRP 35 N -0.48 2.93 0.20 4.92 0.52 0.23 -0.11 118.94 127.15 1a3r s TRP 35 Ca 0.06 -0.05 0.08 0.00 0.02 0.00 0.00 56.10 56.21 1a3r s TRP 35 Cb -0.11 -1.74 -0.05 0.00 -1.15 0.00 0.00 33.47 30.42 1a3r s TRP 35 CO 0.01 0.26 -0.14 0.71 0.02 0.00 0.00 176.95 177.81 1a3r s TYR 36 N -0.63 1.69 -0.05 -1.98 1.51 0.88 -0.95 117.35 117.81 1a3r s TYR 36 Ca 0.10 -0.58 0.02 0.00 -1.01 0.00 0.00 57.07 55.60 1a3r s TYR 36 Cb -0.12 -0.79 0.01 0.00 -0.11 0.00 0.00 41.96 40.96 1a3r s TYR 36 CO 0.02 0.34 -0.11 -1.14 -1.11 0.00 0.00 175.55 173.55 1a3r s GLN 37 N -3.63 1.45 -0.25 -0.62 0.74 0.14 -1.52 119.66 115.97 1a3r s GLN 37 Ca 0.22 -0.37 -0.01 0.00 0.05 0.00 0.00 55.36 55.25 1a3r s GLN 37 Cb -0.01 -1.24 0.07 0.00 1.10 0.00 0.00 33.01 32.93 1a3r s GLN 37 CO 0.06 0.05 0.02 -1.14 -0.55 0.00 0.00 175.29 173.73 1a3r s GLN 38 N 0.54 1.09 0.50 1.67 0.74 0.01 -0.58 119.66 123.63 1a3r s GLN 38 Ca -0.11 -0.89 -0.19 0.00 0.05 0.00 0.00 55.36 54.23 1a3r s GLN 38 Cb -0.14 -2.33 -0.08 0.00 1.10 0.00 0.00 33.01 31.56 1a3r s GLN 38 CO 0.02 -0.73 1.01 0.15 -0.55 0.00 0.00 175.29 175.19 1a3r s LYS 39 N 1.56 3.84 -0.24 1.67 1.02 -1.26 -1.77 119.74 124.56 1a3r s LYS 39 Ca 0.00 1.17 -0.38 0.00 0.02 0.00 0.00 55.97 56.78 1a3r s LYS 39 Cb -0.18 -2.11 -0.14 0.00 -0.52 0.00 0.00 37.83 34.88 1a3r s LYS 39 CO -0.12 -0.38 1.84 -2.30 -0.92 0.00 0.00 175.35 173.48 1a3r n PRO 40 N -1.27 1.44 -1.00 -1.68 -0.02 -1.26 -1.35 135.00 129.85 1a3r n PRO 40 Ca 0.08 0.52 -0.00 0.00 -2.02 0.00 0.00 63.50 62.08 1a3r n PRO 40 Cb 0.53 -2.30 -0.00 0.00 -0.02 0.00 0.00 33.50 31.71 1a3r n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a3r n GLY 41 N 4.54 0.44 3.62 -1.23 0.00 -1.26 -5.03 105.19 106.28 1a3r n GLY 41 Ca 0.27 -0.05 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 1a3r n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a3r s GLN 42 N -0.35 1.97 0.50 1.61 -0.21 -0.46 -5.13 119.66 117.60 1a3r s GLN 42 Ca 0.00 -2.00 -0.18 0.00 0.02 0.00 0.00 55.36 53.20 1a3r s GLN 42 Cb 0.00 -1.73 -0.08 0.00 1.00 0.00 0.00 33.01 32.20 1a3r s GLN 42 CO 0.00 0.01 1.00 -1.12 -2.12 0.00 0.00 175.29 173.06 1a3r s SER 43 N -3.71 6.49 0.88 5.90 0.01 -1.26 -4.63 113.70 117.38 1a3r s SER 43 Ca 0.35 1.71 -0.10 0.00 1.31 0.00 0.00 55.95 59.22 1a3r s SER 43 Cb 0.06 -2.53 0.13 0.00 0.21 0.00 0.00 66.02 63.89 1a3r s SER 43 CO 0.18 -0.67 1.14 -2.84 0.41 0.00 0.00 173.24 171.46 1a3r s PRO 44 N -3.69 1.29 -0.02 12.44 0.02 -1.26 -4.63 135.00 139.14 1a3r s PRO 44 Ca 0.62 1.49 0.01 0.00 0.02 0.00 0.00 61.00 63.14 1a3r s PRO 44 Cb -0.12 -1.76 0.02 0.00 0.02 0.00 0.00 34.50 32.66 1a3r s PRO 44 CO 0.26 -2.42 -0.01 0.21 -0.33 0.00 0.00 177.00 174.70 1a3r s LYS 45 N -4.66 0.37 0.07 5.54 2.20 0.26 -4.95 119.74 118.56 1a3r s LYS 45 Ca 0.66 0.00 -0.30 0.00 -0.36 0.00 0.00 55.97 55.97 1a3r s LYS 45 Cb -0.22 -0.48 -0.06 0.00 -1.51 0.00 0.00 37.83 35.57 1a3r s LYS 45 CO 0.57 -0.08 1.13 -1.17 -0.36 0.00 0.00 175.35 175.45 1a3r s LEU 46 N 0.73 4.39 -0.17 5.43 0.20 -1.26 -0.68 118.68 127.33 1a3r s LEU 46 Ca -0.08 1.96 -0.12 0.00 0.69 0.00 0.00 54.13 56.58 1a3r s LEU 46 Cb -0.11 -3.58 -0.07 0.00 -0.43 0.00 0.00 46.19 42.00 1a3r s LEU 46 CO -0.01 -0.38 -0.27 0.18 -0.29 0.00 0.00 176.35 175.58 1a3r n LEU 47 N 3.60 1.60 -3.97 -0.68 4.77 -0.13 -4.81 117.00 117.38 1a3r n LEU 47 Ca 0.07 0.27 -0.15 0.00 -0.03 0.00 0.00 56.01 56.17 1a3r n LEU 47 Cb 0.47 -0.63 -0.14 0.00 -2.33 0.00 0.00 43.42 40.79 1a3r n LEU 47 CO 0.54 0.06 -0.40 -0.63 -1.33 0.00 0.00 177.39 175.63 1a3r s ILE 48 N -2.52 0.42 0.21 -0.08 1.01 -1.15 -1.81 121.20 117.29 1a3r s ILE 48 Ca -0.26 -0.33 0.05 0.00 0.00 0.00 0.00 60.65 60.11 1a3r s ILE 48 Cb 0.08 -0.38 -0.05 0.00 0.01 0.00 0.00 42.46 42.12 1a3r s ILE 48 CO 0.35 0.05 -0.06 -0.72 0.00 0.00 0.00 174.94 174.56 1a3r s TYR 49 N -0.28 1.57 -1.58 3.97 1.13 0.22 -0.60 117.35 121.79 1a3r s TYR 49 Ca 0.00 -0.78 -0.01 0.00 -1.41 0.00 0.00 57.07 54.87 1a3r s TYR 49 Cb -0.03 -0.85 0.00 0.00 -1.10 0.00 0.00 41.96 39.98 1a3r s TYR 49 CO -0.00 0.11 0.16 0.91 -2.51 0.00 0.00 175.55 174.22 1a3r n TRP 50 N -0.38 -1.16 0.00 -3.49 8.01 -1.13 -0.87 117.44 118.41 1a3r n TRP 50 Ca -0.07 0.14 0.00 0.00 -1.31 0.00 0.00 57.50 56.26 1a3r n TRP 50 Cb 0.62 -3.87 0.00 0.00 -2.01 0.00 0.00 31.31 26.05 1a3r n TRP 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1a3r n ALA 51 N -2.35 0.00 -1.17 6.99 0.00 -0.37 -4.21 120.51 119.40 1a3r n ALA 51 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1a3r n ALA 51 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.11 1a3r n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1a3r n SER 52 N 0.53 0.00 -4.61 0.00 3.41 -1.19 -3.32 113.62 108.44 1a3r n SER 52 Ca 0.00 -1.01 -0.38 0.00 -0.26 0.00 0.00 58.87 57.23 1a3r n SER 52 Cb 0.00 -0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 1a3r n SER 52 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1a3r s THR 53 N 0.00 5.31 0.25 6.66 2.01 -0.05 -4.68 115.64 125.14 1a3r s THR 53 Ca 0.00 0.17 -0.23 0.00 0.31 0.00 0.00 61.69 61.93 1a3r s THR 53 Cb 0.00 -3.51 -0.09 0.00 0.01 0.00 0.00 72.50 68.91 1a3r s THR 53 CO 0.00 0.28 0.82 -0.13 -0.69 0.00 0.00 174.62 174.90 1a3r s ARG 54 N 1.54 4.45 0.57 4.92 0.52 -1.26 -0.61 118.95 129.08 1a3r s ARG 54 Ca 0.07 1.11 -0.16 0.00 -0.52 0.00 0.00 55.73 56.23 1a3r s ARG 54 Cb -0.15 -2.92 -0.05 0.00 0.52 0.00 0.00 34.95 32.35 1a3r s ARG 54 CO 0.09 0.38 1.04 -2.00 0.02 0.00 0.00 175.30 174.83 1a3r s GLU 55 N -1.85 3.51 0.28 3.54 2.12 -0.75 -4.95 118.70 120.60 1a3r s GLU 55 Ca 0.44 1.13 -0.30 0.00 0.36 0.00 0.00 54.97 56.60 1a3r s GLU 55 Cb -0.19 -2.06 -0.12 0.00 0.26 0.00 0.00 34.13 32.02 1a3r s GLU 55 CO 0.23 -0.65 1.55 0.43 -0.54 0.00 0.00 175.26 176.28 1a3r n SER 56 N -1.90 3.58 0.00 -1.70 7.64 -1.26 -2.33 113.62 117.64 1a3r n SER 56 Ca 0.08 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.10 1a3r n SER 56 Cb 0.53 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 1a3r n SER 56 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a3r n GLY 57 N 2.20 3.40 3.70 0.23 0.00 -1.26 -5.04 105.19 108.42 1a3r n GLY 57 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1a3r n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a3r s VAL 58 N -2.80 3.61 0.55 1.61 1.01 -0.99 -4.97 120.40 118.42 1a3r s VAL 58 Ca 0.00 1.08 -0.19 0.00 0.00 0.00 0.00 61.98 62.87 1a3r s VAL 58 Cb 0.00 -3.70 -0.07 0.00 0.00 0.00 0.00 36.38 32.61 1a3r s VAL 58 CO 0.00 0.04 0.78 -2.65 0.00 0.00 0.00 175.10 173.26 1a3r n PRO 59 N 4.70 0.79 0.29 2.72 -0.02 -1.26 -4.90 135.00 137.31 1a3r n PRO 59 Ca 0.12 0.30 0.18 0.00 -2.02 0.00 0.00 63.50 62.08 1a3r n PRO 59 Cb 0.44 -1.93 0.85 0.00 -0.02 0.00 0.00 33.50 32.83 1a3r n PRO 59 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1a3r h ASP 60 N 0.55 0.00 0.59 2.55 5.19 -2.01 -2.92 116.42 120.37 1a3r h ASP 60 Ca -0.46 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.95 1a3r h ASP 60 Cb 1.38 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.89 1a3r h ASP 60 CO 0.50 0.04 0.00 -2.11 -3.12 0.00 0.00 179.24 174.55 1a3r n ARG 61 N -3.24 0.05 -3.26 3.56 1.85 -1.26 -4.57 116.66 109.79 1a3r n ARG 61 Ca -0.01 0.28 -0.41 0.00 -1.00 0.00 0.00 57.85 56.71 1a3r n ARG 61 Cb 0.22 -1.59 -0.08 0.00 -1.05 0.00 0.00 32.46 29.96 1a3r n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1a3r s PHE 62 N -3.07 3.19 0.01 2.89 0.08 -1.11 -1.52 117.98 118.46 1a3r s PHE 62 Ca 0.07 0.21 0.06 0.00 0.12 0.00 0.00 56.93 57.39 1a3r s PHE 62 Cb 0.10 -2.87 -0.02 0.00 -0.57 0.00 0.00 43.02 39.66 1a3r s PHE 62 CO 0.31 -0.50 -0.20 0.99 -0.10 0.00 0.00 175.22 175.73 1a3r s THR 63 N 2.34 1.57 0.03 0.64 2.01 -0.42 -4.99 115.64 116.82 1a3r s THR 63 Ca 0.18 -0.99 0.06 0.00 0.31 0.00 0.00 61.69 61.25 1a3r s THR 63 Cb -0.16 -1.33 -0.02 0.00 0.01 0.00 0.00 72.50 71.00 1a3r s THR 63 CO 0.13 0.32 -0.18 -0.83 -0.69 0.00 0.00 174.62 173.36 1a3r s GLY 64 N -0.79 0.98 0.33 4.40 0.00 -1.26 -0.61 107.32 110.37 1a3r s GLY 64 Ca 0.07 -0.94 -0.11 0.00 0.00 0.00 0.00 44.72 43.75 1a3r s GLY 64 CO 0.00 -0.86 0.60 -1.35 0.00 0.00 0.00 173.10 171.49 1a3r s SER 65 N -1.01 0.30 0.00 1.64 1.04 -0.82 -4.34 113.70 110.51 1a3r s SER 65 Ca 0.06 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.31 1a3r s SER 65 Cb -0.08 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.75 1a3r s SER 65 CO 0.01 -1.39 0.00 0.61 0.98 0.00 0.00 173.24 173.45 1a3r n GLY 66 N -0.50 2.64 3.49 7.32 0.00 -1.26 -1.63 105.19 115.25 1a3r n GLY 66 Ca -0.03 -2.05 -0.16 0.00 0.00 0.00 0.00 46.02 43.77 1a3r n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1a3r s SER 67 N 0.00 -0.62 0.00 1.61 0.15 -1.05 -4.94 113.70 108.85 1a3r s SER 67 Ca 0.00 0.53 0.00 0.00 0.70 0.00 0.00 55.95 57.18 1a3r s SER 67 Cb 0.00 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.85 1a3r s SER 67 CO 0.00 -0.68 0.00 0.61 1.20 0.00 0.00 173.24 174.37 1a3r n GLY 68 N 0.65 2.06 0.00 9.45 0.00 -1.26 -3.48 105.19 112.61 1a3r n GLY 68 Ca -0.19 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1a3r n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a3r n THR 69 N 0.00 0.00 -4.16 2.61 -2.24 -1.26 -4.22 114.28 105.00 1a3r n THR 69 Ca 0.00 -0.36 -0.34 0.00 -2.27 0.00 0.00 64.05 61.08 1a3r n THR 69 Cb 0.00 0.94 -0.15 0.00 -2.10 0.00 0.00 70.33 69.02 1a3r n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1a3r s ASP 70 N -0.88 3.73 0.09 3.42 1.01 -1.23 -1.42 116.67 121.40 1a3r s ASP 70 Ca 0.00 -0.50 0.04 0.00 0.71 0.00 0.00 52.55 52.81 1a3r s ASP 70 Cb 0.00 -1.60 -0.03 0.00 1.01 0.00 0.00 42.92 42.29 1a3r s ASP 70 CO 0.00 0.02 -0.11 -0.36 0.21 0.00 0.00 175.17 174.93 1a3r s PHE 71 N 1.21 1.11 0.03 4.23 0.08 -0.42 -2.54 117.98 121.68 1a3r s PHE 71 Ca 0.02 -0.59 -0.00 0.00 0.12 0.00 0.00 56.93 56.48 1a3r s PHE 71 Cb -0.14 -0.61 -0.03 0.00 -0.57 0.00 0.00 43.02 41.68 1a3r s PHE 71 CO -0.06 0.03 -0.03 0.95 -0.10 0.00 0.00 175.22 176.01 1a3r s THR 72 N -2.10 0.17 -0.11 0.64 -4.23 -0.64 -0.94 115.64 108.43 1a3r s THR 72 Ca 0.03 -1.15 0.03 0.00 -1.18 0.00 0.00 61.69 59.43 1a3r s THR 72 Cb -0.05 -0.60 0.01 0.00 1.34 0.00 0.00 72.50 73.20 1a3r s THR 72 CO 0.01 -0.62 -0.21 -0.22 -0.54 0.00 0.00 174.62 173.05 1a3r s LEU 73 N -1.84 1.98 0.04 4.79 2.96 -0.53 -1.94 118.68 124.14 1a3r s LEU 73 Ca -0.10 -0.52 0.08 0.00 -0.22 0.00 0.00 54.13 53.37 1a3r s LEU 73 Cb -0.06 -1.30 -0.03 0.00 0.50 0.00 0.00 46.19 45.31 1a3r s LEU 73 CO -0.03 0.10 -0.24 -0.44 -1.32 0.00 0.00 176.35 174.42 1a3r s SER 74 N 0.62 2.83 -0.22 3.68 0.01 0.22 -1.39 113.70 119.45 1a3r s SER 74 Ca -0.13 -0.54 0.01 0.00 1.31 0.00 0.00 55.95 56.61 1a3r s SER 74 Cb -0.17 -0.26 0.05 0.00 0.21 0.00 0.00 66.02 65.86 1a3r s SER 74 CO 0.04 0.23 -0.10 -0.63 0.41 0.00 0.00 173.24 173.18 1a3r s ILE 75 N -0.76 1.78 -0.66 1.44 1.01 -0.44 -1.30 121.20 122.27 1a3r s ILE 75 Ca 0.10 -1.23 -0.23 0.00 0.00 0.00 0.00 60.65 59.29 1a3r s ILE 75 Cb -0.09 -1.90 0.07 0.00 0.01 0.00 0.00 42.46 40.55 1a3r s ILE 75 CO 0.01 0.07 0.97 -0.44 0.00 0.00 0.00 174.94 175.56 1a3r s SER 76 N 1.31 6.17 0.00 3.58 0.01 -0.57 -1.23 113.70 122.96 1a3r s SER 76 Ca -0.04 -0.97 0.00 0.00 1.31 0.00 0.00 55.95 56.25 1a3r s SER 76 Cb -0.18 -2.42 0.00 0.00 0.21 0.00 0.00 66.02 63.63 1a3r s SER 76 CO -0.07 -1.46 0.00 0.61 0.41 0.00 0.00 173.24 172.73 1a3r n GLY 77 N 5.33 0.65 3.69 3.44 0.00 -1.02 -4.81 105.19 112.47 1a3r n GLY 77 Ca -0.04 -0.40 -0.44 0.00 0.00 0.00 0.00 46.02 45.14 1a3r n GLY 77 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1a3r n VAL 78 N -0.99 1.22 -3.87 1.61 3.14 -0.92 -4.52 118.33 113.99 1a3r n VAL 78 Ca 0.00 -0.30 -0.25 0.00 -2.96 0.00 0.00 64.34 60.83 1a3r n VAL 78 Cb 0.37 -1.60 -0.03 0.00 -1.06 0.00 0.00 33.84 31.52 1a3r n VAL 78 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 1a3r s GLN 79 N -0.78 2.31 0.49 1.45 -0.21 -1.26 -1.07 119.66 120.59 1a3r s GLN 79 Ca 0.64 -1.88 0.24 0.00 0.02 0.00 0.00 55.36 54.38 1a3r s GLN 79 Cb -0.60 -2.13 1.29 0.00 1.00 0.00 0.00 33.01 32.57 1a3r s GLN 79 CO 0.52 -0.43 2.03 0.00 -2.12 0.00 0.00 175.29 175.30 1a3r h ALA 80 N 0.94 1.35 -0.00 6.09 0.00 -1.95 -2.55 119.26 123.14 1a3r h ALA 80 Ca -0.39 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1a3r h ALA 80 Cb 1.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1a3r h ALA 80 CO 0.60 0.19 -0.16 -0.85 0.00 0.00 0.00 179.25 179.03 1a3r n GLU 81 N -3.79 0.66 -0.00 0.00 0.00 -1.26 -3.64 120.64 112.61 1a3r n GLU 81 Ca -0.02 -0.27 0.11 0.00 0.00 0.00 0.00 57.16 56.98 1a3r n GLU 81 Cb 0.26 -1.49 0.63 0.00 0.00 0.00 0.00 31.44 30.84 1a3r n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1a3r n ASP 82 N -0.94 0.11 -4.64 -1.84 8.00 -0.96 -4.79 116.55 111.49 1a3r n ASP 82 Ca 0.13 -1.34 -0.42 0.00 0.71 0.00 0.00 54.79 53.87 1a3r n ASP 82 Cb 0.30 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.37 1a3r n ASP 82 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1a3r s LEU 83 N -1.68 4.10 0.00 0.64 2.96 -1.24 -4.87 118.68 118.59 1a3r s LEU 83 Ca 0.33 2.21 0.00 0.00 -0.22 0.00 0.00 54.13 56.45 1a3r s LEU 83 Cb 0.15 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.32 1a3r s LEU 83 CO 0.25 -1.26 0.00 0.00 -1.32 0.00 0.00 176.35 174.03 1a3r n ALA 84 N 8.49 0.00 -2.80 5.97 0.00 -1.22 -4.65 120.51 126.30 1a3r n ALA 84 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.31 1a3r n ALA 84 Cb 0.43 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.76 1a3r n ALA 84 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1a3r s VAL 85 N -2.18 3.72 -0.13 0.00 1.01 -0.73 -1.34 120.40 120.74 1a3r s VAL 85 Ca 0.00 -0.45 -0.02 0.00 0.00 0.00 0.00 61.98 61.52 1a3r s VAL 85 Cb 0.00 -2.57 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 1a3r s VAL 85 CO 0.00 0.55 -0.07 -0.31 0.00 0.00 0.00 175.10 175.27 1a3r s TYR 86 N -0.20 2.95 0.04 5.22 1.51 -0.60 -0.81 117.35 125.45 1a3r s TYR 86 Ca 0.03 -0.34 0.08 0.00 -1.01 0.00 0.00 57.07 55.83 1a3r s TYR 86 Cb -0.13 -1.88 -0.03 0.00 -0.11 0.00 0.00 41.96 39.82 1a3r s TYR 86 CO 0.03 -0.02 -0.23 0.71 -1.11 0.00 0.00 175.55 174.92 1a3r s TYR 87 N 0.14 2.04 0.14 2.71 2.02 -0.57 -1.32 117.35 122.51 1a3r s TYR 87 Ca -0.03 -0.39 0.08 0.00 -0.37 0.00 0.00 57.07 56.35 1a3r s TYR 87 Cb -0.14 -1.23 -0.04 0.00 -0.40 0.00 0.00 41.96 40.15 1a3r s TYR 87 CO 0.03 0.09 -0.07 0.00 -1.57 0.00 0.00 175.55 174.04 1a3r s GLN 89 N -2.55 0.20 -0.15 0.00 0.74 0.84 -0.89 119.66 117.84 1a3r s GLN 89 Ca 0.24 -0.05 -0.29 0.00 0.05 0.00 0.00 55.36 55.31 1a3r s GLN 89 Cb -0.10 0.09 -0.01 0.00 1.10 0.00 0.00 33.01 34.09 1a3r s GLN 89 CO 0.15 -0.03 1.13 1.21 -0.55 0.00 0.00 175.29 177.20 1a3r s ASN 90 N -0.37 7.07 -0.10 6.67 2.47 -0.33 -1.64 114.94 128.71 1a3r s ASN 90 Ca -0.04 1.59 0.15 0.00 0.42 0.00 0.00 52.86 54.97 1a3r s ASN 90 Cb -0.03 -2.55 0.23 0.00 -1.45 0.00 0.00 41.25 37.45 1a3r s ASN 90 CO 0.00 -0.63 1.11 0.59 -3.72 0.00 0.00 177.10 174.45 1a3r n ASN 91 N 5.92 1.97 0.01 -4.21 5.03 -0.67 -4.12 115.26 119.19 1a3r n ASN 91 Ca 0.12 -2.84 -0.22 0.00 0.87 0.00 0.00 54.58 52.51 1a3r n ASN 91 Cb 0.46 -0.36 -0.14 0.00 -1.02 0.00 0.00 39.78 38.72 1a3r n ASN 91 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 1a3r h TYR 92 N 0.00 0.50 -2.97 3.10 3.20 -1.90 -3.46 116.97 115.45 1a3r h TYR 92 Ca 0.00 -0.37 0.01 0.00 3.14 0.00 0.00 58.73 61.51 1a3r h TYR 92 Cb 1.02 -0.02 -0.11 0.00 1.54 0.00 0.00 36.73 39.17 1a3r h TYR 92 CO 0.01 1.75 0.23 0.54 -1.64 0.00 0.00 178.16 179.05 1a3r s ASN 93 N -7.08 -0.50 0.29 -2.11 4.22 -1.26 -5.09 114.94 103.42 1a3r s ASN 93 Ca -0.22 -0.13 -0.28 0.00 -2.14 0.00 0.00 52.86 50.09 1a3r s ASN 93 Cb 0.06 0.62 -0.09 0.00 1.28 0.00 0.00 41.25 43.12 1a3r s ASN 93 CO 0.78 -1.03 1.03 -0.31 -2.04 0.00 0.00 177.10 175.53 1a3r s TYR 94 N -3.76 3.65 0.43 1.54 2.02 -1.26 -3.84 117.35 116.13 1a3r s TYR 94 Ca 0.03 1.76 -0.19 0.00 -0.37 0.00 0.00 57.07 58.30 1a3r s TYR 94 Cb -0.02 -3.15 -0.10 0.00 -0.40 0.00 0.00 41.96 38.29 1a3r s TYR 94 CO -0.09 -0.22 0.93 -1.25 -1.57 0.00 0.00 175.55 173.34 1a3r s PRO 95 N -1.60 4.14 -1.38 -1.71 0.04 -1.26 -4.89 135.00 128.35 1a3r s PRO 95 Ca 0.46 1.02 -0.14 0.00 0.04 0.00 0.00 61.00 62.38 1a3r s PRO 95 Cb -0.28 -2.21 -0.01 0.00 0.04 0.00 0.00 34.50 32.05 1a3r s PRO 95 CO 0.35 -0.05 2.28 1.28 0.04 0.00 0.00 177.00 180.90 1a3r n LEU 96 N -0.78 6.69 -4.77 -3.56 4.77 -1.25 -4.83 117.00 113.27 1a3r n LEU 96 Ca 0.06 -3.97 -0.41 0.00 -0.03 0.00 0.00 56.01 51.66 1a3r n LEU 96 Cb 0.54 -1.56 -0.02 0.00 -2.33 0.00 0.00 43.42 40.05 1a3r n LEU 96 CO 0.39 1.02 1.01 0.42 -1.33 0.00 0.00 177.39 178.91 1a3r s THR 97 N 3.31 2.62 0.22 -5.08 -4.23 -1.26 -4.60 115.64 106.62 1a3r s THR 97 Ca 0.51 0.62 -0.01 0.00 -1.18 0.00 0.00 61.69 61.63 1a3r s THR 97 Cb 0.14 -3.39 -0.04 0.00 1.34 0.00 0.00 72.50 70.55 1a3r s THR 97 CO -0.06 0.14 0.42 -0.36 -0.54 0.00 0.00 174.62 174.23 1a3r s PHE 98 N -1.06 3.48 0.77 3.99 0.08 -1.26 -1.18 117.98 122.80 1a3r s PHE 98 Ca 0.50 0.37 -0.08 0.00 0.12 0.00 0.00 56.93 57.84 1a3r s PHE 98 Cb -0.41 -1.88 0.10 0.00 -0.57 0.00 0.00 43.02 40.27 1a3r s PHE 98 CO 0.54 0.34 1.09 0.20 -0.10 0.00 0.00 175.22 177.29 1a3r s GLY 99 N -3.23 1.71 0.35 4.36 0.00 -0.07 -4.75 107.32 105.69 1a3r s GLY 99 Ca 0.39 -1.08 0.27 0.00 0.00 0.00 0.00 44.72 44.30 1a3r s GLY 99 CO 0.29 -0.57 1.79 0.00 0.00 0.00 0.00 173.10 174.62 1a3r h ALA 100 N -0.85 1.00 0.00 3.20 0.00 -1.90 -3.44 119.26 117.26 1a3r h ALA 100 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1a3r h ALA 100 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1a3r h ALA 100 CO 0.53 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.19 1a3r n GLY 101 N 0.28 0.19 3.03 0.00 0.00 -1.26 -5.00 105.19 102.42 1a3r n GLY 101 Ca 0.02 -1.63 -0.31 0.00 0.00 0.00 0.00 46.02 44.10 1a3r n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a3r s THR 102 N -2.91 1.75 -0.09 2.61 2.01 -0.43 -4.63 115.64 113.95 1a3r s THR 102 Ca 0.00 -0.94 -0.26 0.00 0.31 0.00 0.00 61.69 60.80 1a3r s THR 102 Cb 0.00 -1.72 -0.03 0.00 0.01 0.00 0.00 72.50 70.76 1a3r s THR 102 CO 0.00 0.31 0.83 -0.75 -0.69 0.00 0.00 174.62 174.33 1a3r s LYS 103 N 1.38 4.41 -0.22 4.92 2.20 -0.15 -1.56 119.74 130.73 1a3r s LYS 103 Ca 0.01 1.09 -0.05 0.00 -0.36 0.00 0.00 55.97 56.66 1a3r s LYS 103 Cb -0.15 -3.50 -0.02 0.00 -1.51 0.00 0.00 37.83 32.65 1a3r s LYS 103 CO -0.10 -0.13 0.01 -1.17 -0.36 0.00 0.00 175.35 173.60 1a3r s LEU 104 N 1.42 3.21 0.18 5.43 0.20 -0.45 -0.53 118.68 128.14 1a3r s LEU 104 Ca 0.42 -0.26 0.11 0.00 0.69 0.00 0.00 54.13 55.09 1a3r s LEU 104 Cb -0.18 -1.83 -0.04 0.00 -0.43 0.00 0.00 46.19 43.71 1a3r s LEU 104 CO 0.18 0.01 -0.23 -1.61 -0.29 0.00 0.00 176.35 174.42 1a3r s GLU 105 N 1.30 1.45 0.00 1.98 2.02 0.30 -3.45 118.70 122.30 1a3r s GLU 105 Ca 0.04 -1.47 -0.02 0.00 0.02 0.00 0.00 54.97 53.54 1a3r s GLU 105 Cb -0.15 -1.74 -0.04 0.00 0.10 0.00 0.00 34.13 32.30 1a3r s GLU 105 CO 0.01 0.38 0.19 -0.51 0.02 0.00 0.00 175.26 175.34 1a3r s LEU 106 N -2.58 4.36 -0.15 1.80 1.43 -1.26 -1.46 118.68 120.82 1a3r s LEU 106 Ca 0.19 0.33 -0.04 0.00 -1.03 0.00 0.00 54.13 53.57 1a3r s LEU 106 Cb -0.08 -2.67 -0.03 0.00 0.03 0.00 0.00 46.19 43.44 1a3r s LEU 106 CO 0.09 0.24 -0.01 -0.75 0.23 0.00 0.00 176.35 176.15 1a3r s LYS 107 N -2.05 3.64 0.30 1.70 2.20 0.93 -4.82 119.74 121.65 1a3r s LYS 107 Ca 0.29 -0.47 0.04 0.00 -0.36 0.00 0.00 55.97 55.48 1a3r s LYS 107 Cb -0.13 -2.96 -0.03 0.00 -1.51 0.00 0.00 37.83 33.20 1a3r s LYS 107 CO 0.20 0.32 0.21 -0.98 -0.36 0.00 0.00 175.35 174.74 1a3r s ARG 108 N 0.18 1.61 0.61 4.03 1.70 -1.26 -4.49 118.95 121.33 1a3r s ARG 108 Ca -0.00 -1.92 -0.19 0.00 -0.47 0.00 0.00 55.73 53.15 1a3r s ARG 108 Cb -0.13 0.17 -0.03 0.00 -0.57 0.00 0.00 34.95 34.39 1a3r s ARG 108 CO 0.02 -0.54 1.26 0.00 -1.08 0.00 0.00 175.30 174.96 1a3r s ALA 109 N -3.62 2.50 0.43 7.88 0.00 -1.26 -4.93 121.76 122.75 1a3r s ALA 109 Ca 0.38 1.14 -0.26 0.00 0.00 0.00 0.00 51.96 53.22 1a3r s ALA 109 Cb 0.04 -3.51 -0.09 0.00 0.00 0.00 0.00 23.12 19.55 1a3r s ALA 109 CO 0.21 -1.38 1.46 -0.25 0.00 0.00 0.00 175.76 175.80 1a3r n ASP 110 N -1.65 3.52 -3.88 0.00 8.00 -1.26 -4.82 116.55 116.45 1a3r n ASP 110 Ca 0.14 1.16 -0.20 0.00 0.71 0.00 0.00 54.79 56.61 1a3r n ASP 110 Cb 0.48 -1.61 -0.16 0.00 -0.02 0.00 0.00 41.12 39.81 1a3r n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a3r s ALA 111 N -1.17 0.63 0.24 2.24 0.00 -0.05 -4.92 121.76 118.73 1a3r s ALA 111 Ca 0.58 -0.03 -0.30 0.00 0.00 0.00 0.00 51.96 52.21 1a3r s ALA 111 Cb -0.46 -0.41 -0.09 0.00 0.00 0.00 0.00 23.12 22.17 1a3r s ALA 111 CO 0.60 -0.02 0.98 0.00 0.00 0.00 0.00 175.76 177.32 1a3r s ALA 112 N 0.92 3.35 0.34 0.00 0.00 -1.26 -1.57 121.76 123.55 1a3r s ALA 112 Ca -0.11 0.69 -0.27 0.00 0.00 0.00 0.00 51.96 52.27 1a3r s ALA 112 Cb -0.14 -3.25 -0.09 0.00 0.00 0.00 0.00 23.12 19.64 1a3r s ALA 112 CO -0.00 0.09 1.13 -1.25 0.00 0.00 0.00 175.76 175.73 1a3r s PRO 113 N -1.10 4.34 -0.32 0.00 0.04 -1.26 -4.61 135.00 132.08 1a3r s PRO 113 Ca 0.43 1.80 -0.17 0.00 0.04 0.00 0.00 61.00 63.10 1a3r s PRO 113 Cb -0.27 -2.90 -0.01 0.00 0.04 0.00 0.00 34.50 31.36 1a3r s PRO 113 CO 0.34 -0.05 0.44 0.99 0.04 0.00 0.00 177.00 178.76 1a3r s THR 114 N -1.33 5.09 -0.14 1.26 2.01 -0.52 -4.87 115.64 117.14 1a3r s THR 114 Ca 0.51 0.35 -0.06 0.00 0.31 0.00 0.00 61.69 62.80 1a3r s THR 114 Cb -0.30 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 1a3r s THR 114 CO 0.39 -0.08 0.09 -0.69 -0.69 0.00 0.00 174.62 173.64 1a3r s VAL 115 N 2.22 5.10 -0.01 3.82 1.01 -1.26 -1.52 120.40 129.76 1a3r s VAL 115 Ca 0.16 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.21 1a3r s VAL 115 Cb -0.16 -3.24 0.01 0.00 0.00 0.00 0.00 36.38 32.99 1a3r s VAL 115 CO 0.12 0.56 -0.02 -0.44 0.00 0.00 0.00 175.10 175.32 1a3r s SER 116 N -0.51 0.33 0.03 3.32 0.01 -0.52 -4.99 113.70 111.38 1a3r s SER 116 Ca 0.11 -0.04 0.07 0.00 1.31 0.00 0.00 55.95 57.40 1a3r s SER 116 Cb -0.12 -0.09 -0.03 0.00 0.21 0.00 0.00 66.02 66.00 1a3r s SER 116 CO 0.02 -0.01 -0.20 -0.51 0.41 0.00 0.00 173.24 172.96 1a3r s ILE 117 N 0.25 2.65 -0.08 1.44 2.07 -1.26 -0.90 121.20 125.36 1a3r s ILE 117 Ca -0.02 -1.19 -0.01 0.00 -1.41 0.00 0.00 60.65 58.02 1a3r s ILE 117 Cb -0.05 -2.09 0.03 0.00 0.13 0.00 0.00 42.46 40.48 1a3r s ILE 117 CO -0.01 0.37 -0.03 -0.36 -1.91 0.00 0.00 174.94 173.01 1a3r s PHE 118 N -0.87 0.96 0.89 3.50 0.40 0.76 -5.00 117.98 118.61 1a3r s PHE 118 Ca 0.14 -0.37 -0.11 0.00 -0.60 0.00 0.00 56.93 55.99 1a3r s PHE 118 Cb -0.10 -0.94 0.12 0.00 0.51 0.00 0.00 43.02 42.61 1a3r s PHE 118 CO 0.04 -0.38 1.09 -2.14 0.70 0.00 0.00 175.22 174.53 1a3r s PRO 119 N 1.80 1.31 0.45 0.24 0.02 -1.26 -2.06 135.00 135.50 1a3r s PRO 119 Ca 0.04 0.86 -0.25 0.00 0.02 0.00 0.00 61.00 61.67 1a3r s PRO 119 Cb -0.13 -1.81 -0.08 0.00 0.02 0.00 0.00 34.50 32.50 1a3r s PRO 119 CO -0.06 -2.22 1.38 -2.14 -0.33 0.00 0.00 177.00 173.63 1a3r s PRO 120 N -4.92 3.70 0.46 5.54 0.02 -1.23 -4.84 135.00 133.74 1a3r s PRO 120 Ca 0.63 2.30 -0.21 0.00 0.02 0.00 0.00 61.00 63.75 1a3r s PRO 120 Cb -0.18 -2.63 -0.09 0.00 0.02 0.00 0.00 34.50 31.62 1a3r s PRO 120 CO 0.57 -0.76 1.01 -1.54 -0.33 0.00 0.00 177.00 175.95 1a3r s SER 121 N -0.65 6.53 0.42 2.53 1.04 -1.26 -4.94 113.70 117.36 1a3r s SER 121 Ca 0.61 1.87 0.12 0.00 0.48 0.00 0.00 55.95 59.03 1a3r s SER 121 Cb -0.41 -2.56 0.96 0.00 0.10 0.00 0.00 66.02 64.12 1a3r s SER 121 CO 0.52 -0.65 1.96 0.77 0.98 0.00 0.00 173.24 176.83 1a3r h SER 122 N 1.72 0.44 -0.70 7.02 4.64 -2.00 -2.04 113.55 122.63 1a3r h SER 122 Ca -0.49 0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 60.78 1a3r h SER 122 Cb 1.21 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 63.19 1a3r h SER 122 CO 0.60 0.26 0.20 -0.33 -0.87 0.00 0.00 176.83 176.69 1a3r h GLU 123 N 0.49 1.11 -0.38 4.77 5.08 -1.99 -2.20 114.58 121.46 1a3r h GLU 123 Ca 0.30 -0.25 -0.14 0.00 -1.00 0.00 0.00 59.36 58.28 1a3r h GLU 123 Cb 0.53 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1a3r h GLU 123 CO -0.09 0.96 -0.32 0.37 -1.00 0.00 0.00 179.01 178.93 1a3r h GLN 124 N 1.06 0.83 -0.59 2.33 4.15 -1.68 -3.01 115.11 118.19 1a3r h GLN 124 Ca 0.23 -0.39 -0.03 0.00 0.77 0.00 0.00 58.65 59.23 1a3r h GLN 124 Cb 0.33 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.98 1a3r h GLN 124 CO -0.00 1.03 0.26 -0.07 -1.93 0.00 0.00 178.83 178.12 1a3r h LEU 125 N 0.70 0.77 -2.09 -2.39 3.38 -1.22 -1.10 115.31 113.36 1a3r h LEU 125 Ca 0.07 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1a3r h LEU 125 Cb 0.87 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 1a3r h LEU 125 CO 0.08 0.67 -0.08 0.74 0.09 0.00 0.00 178.44 179.94 1a3r h THR 126 N 0.84 0.68 -0.01 0.22 2.02 -1.27 -1.11 112.91 114.29 1a3r h THR 126 Ca 0.21 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1a3r h THR 126 Cb 0.12 1.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1a3r h THR 126 CO -0.02 0.07 -0.04 -1.20 0.37 0.00 0.00 175.52 174.70 1a3r n SER 127 N -3.91 1.14 0.00 4.18 7.64 -0.44 -4.92 113.62 117.30 1a3r n SER 127 Ca -0.02 -1.29 0.00 0.00 1.01 0.00 0.00 58.87 58.57 1a3r n SER 127 Cb 0.17 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 1a3r n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a3r n GLY 128 N 1.17 0.52 3.29 0.23 0.00 -0.42 -5.04 105.19 104.94 1a3r n GLY 128 Ca 0.19 -0.86 -0.16 0.00 0.00 0.00 0.00 46.02 45.19 1a3r n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a3r s GLY 129 N -2.79 1.23 -0.24 -0.02 0.00 -1.05 -2.27 107.32 102.18 1a3r s GLY 129 Ca 0.00 -1.57 -0.03 0.00 0.00 0.00 0.00 44.72 43.12 1a3r s GLY 129 CO 0.00 -1.66 0.37 0.00 0.00 0.00 0.00 173.10 171.80 1a3r s ALA 130 N -3.18 -1.04 -0.10 3.20 0.00 -0.14 -3.11 121.76 117.38 1a3r s ALA 130 Ca 0.19 0.83 0.00 0.00 0.00 0.00 0.00 51.96 52.98 1a3r s ALA 130 Cb 0.01 -1.67 -0.02 0.00 0.00 0.00 0.00 23.12 21.44 1a3r s ALA 130 CO 0.03 -1.28 -0.10 -1.12 0.00 0.00 0.00 175.76 173.29 1a3r s SER 131 N 2.53 4.33 -0.20 0.00 0.01 -1.26 -0.54 113.70 118.57 1a3r s SER 131 Ca 0.12 -0.18 -0.04 0.00 1.31 0.00 0.00 55.95 57.16 1a3r s SER 131 Cb -0.15 -1.38 -0.01 0.00 0.21 0.00 0.00 66.02 64.68 1a3r s SER 131 CO -0.16 0.25 -0.05 -0.69 0.41 0.00 0.00 173.24 173.00 1a3r s VAL 132 N -0.15 3.49 -0.07 3.43 1.01 0.54 -3.51 120.40 125.14 1a3r s VAL 132 Ca 0.01 -0.47 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 1a3r s VAL 132 Cb -0.13 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 1a3r s VAL 132 CO 0.03 0.44 -0.00 -0.69 0.00 0.00 0.00 175.10 174.88 1a3r s VAL 133 N 1.13 4.27 -0.09 2.92 1.01 -0.87 -1.19 120.40 127.58 1a3r s VAL 133 Ca 0.02 -0.32 -0.00 0.00 0.00 0.00 0.00 61.98 61.68 1a3r s VAL 133 Cb -0.15 -2.81 0.02 0.00 0.00 0.00 0.00 36.38 33.45 1a3r s VAL 133 CO -0.00 0.56 -0.07 0.00 0.00 0.00 0.00 175.10 175.60 1a3r s PHE 135 N 1.57 3.22 -0.39 0.00 0.08 -0.07 -1.52 117.98 120.86 1a3r s PHE 135 Ca 0.01 0.09 0.02 0.00 0.12 0.00 0.00 56.93 57.18 1a3r s PHE 135 Cb -0.13 -1.96 0.12 0.00 -0.57 0.00 0.00 43.02 40.48 1a3r s PHE 135 CO -0.06 0.28 0.17 -0.51 -0.10 0.00 0.00 175.22 175.00 1a3r s LEU 136 N -0.14 3.06 0.10 -0.37 1.02 -0.36 -1.43 118.68 120.56 1a3r s LEU 136 Ca 0.06 -2.31 0.01 0.00 0.02 0.00 0.00 54.13 51.92 1a3r s LEU 136 Cb -0.12 -1.15 -0.04 0.00 0.02 0.00 0.00 46.19 44.90 1a3r s LEU 136 CO 0.02 -0.32 0.22 0.20 0.02 0.00 0.00 176.35 176.48 1a3r s ASN 137 N 0.74 6.25 -0.98 2.29 0.02 -0.58 -0.76 114.94 121.91 1a3r s ASN 137 Ca 0.14 0.19 -0.12 0.00 -1.02 0.00 0.00 52.86 52.05 1a3r s ASN 137 Cb -0.22 -1.88 -0.00 0.00 0.02 0.00 0.00 41.25 39.17 1a3r s ASN 137 CO -0.08 0.12 0.73 0.59 0.02 0.00 0.00 177.10 178.48 1a3r n ASN 138 N -0.03 -5.68 -4.43 -1.22 4.13 -1.01 -1.44 115.26 105.58 1a3r n ASN 138 Ca -0.06 -0.83 -0.21 0.00 1.68 0.00 0.00 54.58 55.16 1a3r n ASN 138 Cb 0.52 -3.29 -0.10 0.00 -1.54 0.00 0.00 39.78 35.37 1a3r n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1a3r s PHE 139 N -3.26 1.99 -0.27 3.10 -0.12 -0.27 -4.47 117.98 114.67 1a3r s PHE 139 Ca 0.27 -0.60 -0.22 0.00 -0.05 0.00 0.00 56.93 56.33 1a3r s PHE 139 Cb -0.10 -1.05 0.08 0.00 -0.63 0.00 0.00 43.02 41.32 1a3r s PHE 139 CO 0.85 0.39 0.74 -0.47 -0.05 0.00 0.00 175.22 176.68 1a3r s TYR 140 N -2.89 -0.84 1.15 3.49 6.14 -0.61 -1.18 117.35 122.61 1a3r s TYR 140 Ca 0.28 1.92 -0.18 0.00 0.64 0.00 0.00 57.07 59.73 1a3r s TYR 140 Cb 0.01 0.38 0.26 0.00 0.42 0.00 0.00 41.96 43.03 1a3r s TYR 140 CO 0.12 -0.41 1.15 -1.25 0.64 0.00 0.00 175.55 175.79 1a3r s PRO 141 N 0.73 -0.78 0.38 4.97 0.04 -1.26 -0.87 135.00 138.21 1a3r s PRO 141 Ca -0.03 -0.09 0.09 0.00 0.04 0.00 0.00 61.00 61.01 1a3r s PRO 141 Cb -0.05 -1.65 0.77 0.00 0.04 0.00 0.00 34.50 33.61 1a3r s PRO 141 CO -0.05 -3.41 1.91 -0.22 0.04 0.00 0.00 177.00 175.26 1a3r h LYS 142 N -2.37 0.26 -6.36 4.56 3.64 -1.98 -3.44 116.57 110.89 1a3r h LYS 142 Ca -0.45 -0.06 -0.53 0.00 -1.27 0.00 0.00 60.65 58.34 1a3r h LYS 142 Cb 1.29 -0.04 0.02 0.00 -0.41 0.00 0.00 32.23 33.09 1a3r h LYS 142 CO 0.37 0.39 1.24 -0.51 -2.27 0.00 0.00 179.45 178.67 1a3r s ASP 143 N -6.87 6.44 0.01 4.20 1.01 -1.26 -4.96 116.67 115.24 1a3r s ASP 143 Ca -0.06 2.69 -0.21 0.00 0.71 0.00 0.00 52.55 55.68 1a3r s ASP 143 Cb 0.15 -2.53 0.04 0.00 1.01 0.00 0.00 42.92 41.60 1a3r s ASP 143 CO 0.74 -1.06 0.47 -0.51 0.21 0.00 0.00 175.17 175.02 1a3r s ILE 144 N 4.47 0.04 -0.07 0.77 2.07 -1.26 -4.59 121.20 122.63 1a3r s ILE 144 Ca 0.89 -0.31 0.00 0.00 -1.41 0.00 0.00 60.65 59.82 1a3r s ILE 144 Cb -0.43 -0.88 0.02 0.00 0.13 0.00 0.00 42.46 41.30 1a3r s ILE 144 CO 0.42 -0.17 -0.04 0.21 -1.91 0.00 0.00 174.94 173.45 1a3r s ASN 145 N -1.64 1.46 -0.09 4.50 3.04 -0.91 -5.00 114.94 116.31 1a3r s ASN 145 Ca -0.09 -0.16 0.02 0.00 0.04 0.00 0.00 52.86 52.68 1a3r s ASN 145 Cb -0.02 -0.55 -0.02 0.00 -1.54 0.00 0.00 41.25 39.13 1a3r s ASN 145 CO 0.02 -0.11 -0.15 -0.69 -3.04 0.00 0.00 177.10 173.13 1a3r s VAL 146 N 1.41 2.89 0.04 -5.21 1.01 -1.26 -0.81 120.40 118.47 1a3r s VAL 146 Ca -0.03 -0.75 0.06 0.00 0.00 0.00 0.00 61.98 61.26 1a3r s VAL 146 Cb -0.13 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 1a3r s VAL 146 CO -0.03 0.56 -0.17 -0.54 0.00 0.00 0.00 175.10 174.92 1a3r s LYS 147 N -0.09 1.12 -0.19 2.72 1.02 0.02 -5.00 119.74 119.34 1a3r s LYS 147 Ca -0.03 -0.82 -0.04 0.00 0.02 0.00 0.00 55.97 55.10 1a3r s LYS 147 Cb -0.14 -1.18 -0.02 0.00 -0.52 0.00 0.00 37.83 35.97 1a3r s LYS 147 CO 0.04 0.30 -0.02 -1.58 -0.92 0.00 0.00 175.35 173.17 1a3r s TRP 148 N -0.81 3.01 -0.16 3.18 0.52 -1.26 -1.12 118.94 122.30 1a3r s TRP 148 Ca 0.04 -0.51 0.00 0.00 0.02 0.00 0.00 56.10 55.65 1a3r s TRP 148 Cb -0.08 -2.06 -0.00 0.00 -1.15 0.00 0.00 33.47 30.18 1a3r s TRP 148 CO 0.01 -0.25 -0.15 0.15 0.02 0.00 0.00 176.95 176.73 1a3r s LYS 149 N 0.94 3.21 -0.26 4.98 1.02 -0.39 -0.75 119.74 128.48 1a3r s LYS 149 Ca 0.01 -0.75 -0.01 0.00 0.02 0.00 0.00 55.97 55.24 1a3r s LYS 149 Cb -0.14 -2.64 0.04 0.00 -0.52 0.00 0.00 37.83 34.57 1a3r s LYS 149 CO 0.01 -0.01 -0.06 0.42 -0.92 0.00 0.00 175.35 174.80 1a3r s ILE 150 N 0.87 2.74 -1.35 2.17 1.01 0.46 -0.37 121.20 126.73 1a3r s ILE 150 Ca -0.04 -1.25 -0.08 0.00 0.00 0.00 0.00 60.65 59.28 1a3r s ILE 150 Cb -0.15 -2.48 0.02 0.00 0.01 0.00 0.00 42.46 39.85 1a3r s ILE 150 CO -0.01 0.07 1.13 0.47 0.00 0.00 0.00 174.94 176.60 1a3r n ASP 151 N 4.61 -5.38 0.00 3.58 8.00 0.34 -2.18 116.55 125.51 1a3r n ASP 151 Ca -0.15 -0.58 0.00 0.00 0.71 0.00 0.00 54.79 54.77 1a3r n ASP 151 Cb 0.45 -4.92 0.00 0.00 -0.02 0.00 0.00 41.12 36.63 1a3r n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a3r n GLY 152 N -1.83 2.99 3.82 0.44 0.00 -1.26 -5.00 105.19 104.36 1a3r n GLY 152 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 1a3r n GLY 152 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a3r s SER 153 N -1.68 6.69 0.41 1.61 0.01 -0.92 -4.98 113.70 114.84 1a3r s SER 153 Ca 0.00 0.82 -0.25 0.00 1.31 0.00 0.00 55.95 57.83 1a3r s SER 153 Cb 0.00 -2.22 -0.08 0.00 0.21 0.00 0.00 66.02 63.93 1a3r s SER 153 CO 0.00 0.29 1.19 -0.70 0.41 0.00 0.00 173.24 174.42 1a3r s GLU 154 N -0.76 3.97 -0.08 12.44 2.12 -1.26 -0.40 118.70 134.72 1a3r s GLU 154 Ca 0.22 1.87 0.03 0.00 0.36 0.00 0.00 54.97 57.44 1a3r s GLU 154 Cb -0.15 -2.62 0.01 0.00 0.26 0.00 0.00 34.13 31.62 1a3r s GLU 154 CO 0.10 -0.40 -0.16 0.50 -0.54 0.00 0.00 175.26 174.77 1a3r s ARG 155 N -2.38 2.16 -0.44 4.30 3.52 0.07 -4.87 118.95 121.30 1a3r s ARG 155 Ca 0.59 -0.56 0.07 0.00 -0.13 0.00 0.00 55.73 55.70 1a3r s ARG 155 Cb -0.31 -1.75 0.41 0.00 -1.56 0.00 0.00 34.95 31.74 1a3r s ARG 155 CO 0.39 0.04 1.04 1.04 -0.81 0.00 0.00 175.30 177.00 1a3r n GLN 156 N 3.84 2.90 -3.60 5.12 3.00 -1.26 -4.42 117.38 122.97 1a3r n GLN 156 Ca -0.21 -4.31 -0.03 0.00 -0.01 0.00 0.00 57.00 52.44 1a3r n GLN 156 Cb 0.52 -2.06 -0.06 0.00 0.00 0.00 0.00 30.24 28.64 1a3r n GLN 156 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1a3r s ASN 157 N -3.41 -0.67 0.00 1.08 4.22 -1.26 -4.94 114.94 109.97 1a3r s ASN 157 Ca 0.44 1.02 0.00 0.00 -2.14 0.00 0.00 52.86 52.19 1a3r s ASN 157 Cb 0.39 1.42 0.00 0.00 1.28 0.00 0.00 41.25 44.33 1a3r s ASN 157 CO -0.14 -0.16 0.00 0.61 -2.04 0.00 0.00 177.10 175.38 1a3r n GLY 158 N 4.20 0.91 3.84 0.45 0.00 -1.26 -4.84 105.19 108.49 1a3r n GLY 158 Ca -0.17 -0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 1a3r n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a3r s VAL 159 N -2.00 5.47 -0.12 1.61 1.01 -1.26 -0.38 120.40 124.73 1a3r s VAL 159 Ca 0.00 0.23 -0.03 0.00 0.00 0.00 0.00 61.98 62.19 1a3r s VAL 159 Cb 0.00 -3.43 0.04 0.00 0.00 0.00 0.00 36.38 33.00 1a3r s VAL 159 CO 0.00 0.58 0.04 -0.22 0.00 0.00 0.00 175.10 175.50 1a3r s LEU 160 N -0.72 0.61 0.15 3.92 0.20 0.16 -4.98 118.68 118.03 1a3r s LEU 160 Ca 0.14 -0.38 0.05 0.00 0.69 0.00 0.00 54.13 54.63 1a3r s LEU 160 Cb -0.12 -0.38 -0.04 0.00 -0.43 0.00 0.00 46.19 45.22 1a3r s LEU 160 CO 0.03 -0.27 0.08 0.20 -0.29 0.00 0.00 176.35 176.10 1a3r s ASN 161 N 2.02 5.26 -0.17 3.68 0.01 -1.26 -0.88 114.94 123.59 1a3r s ASN 161 Ca 0.03 -0.19 -0.14 0.00 -0.71 0.00 0.00 52.86 51.85 1a3r s ASN 161 Cb -0.14 -1.30 0.05 0.00 0.41 0.00 0.00 41.25 40.26 1a3r s ASN 161 CO -0.06 0.10 0.45 -0.55 -1.51 0.00 0.00 177.10 175.52 1a3r s SER 162 N -2.88 -0.51 0.11 -1.22 0.15 -0.07 -5.00 113.70 104.27 1a3r s SER 162 Ca 0.29 0.93 0.10 0.00 0.70 0.00 0.00 55.95 57.98 1a3r s SER 162 Cb -0.10 0.90 -0.04 0.00 -1.71 0.00 0.00 66.02 65.07 1a3r s SER 162 CO 0.21 -0.17 -0.25 0.26 1.20 0.00 0.00 173.24 174.49 1a3r s TRP 163 N 0.66 2.35 0.52 3.44 0.51 -1.26 -0.70 118.94 124.46 1a3r s TRP 163 Ca -0.03 -0.36 -0.01 0.00 -2.12 0.00 0.00 56.10 53.57 1a3r s TRP 163 Cb -0.05 -1.30 0.01 0.00 -0.81 0.00 0.00 33.47 31.33 1a3r s TRP 163 CO -0.04 0.30 0.75 0.95 -0.51 0.00 0.00 176.95 178.40 1a3r s THR 164 N -1.02 3.44 0.77 2.01 -4.23 -0.84 -5.03 115.64 110.75 1a3r s THR 164 Ca 0.14 -0.46 -0.12 0.00 -1.18 0.00 0.00 61.69 60.07 1a3r s THR 164 Cb -0.10 -3.30 0.05 0.00 1.34 0.00 0.00 72.50 70.49 1a3r s THR 164 CO 0.06 -0.23 1.11 -1.81 -0.54 0.00 0.00 174.62 173.21 1a3r s ASP 165 N -4.31 4.82 0.20 3.99 1.01 -1.26 -4.64 116.67 116.49 1a3r s ASP 165 Ca 0.53 1.12 -0.31 0.00 0.71 0.00 0.00 52.55 54.60 1a3r s ASP 165 Cb -0.10 -1.84 -0.11 0.00 1.01 0.00 0.00 42.92 41.89 1a3r s ASP 165 CO 0.39 -1.74 1.59 -1.58 0.21 0.00 0.00 175.17 174.05 1a3r s GLN 166 N -5.32 4.19 0.31 8.23 0.74 -1.26 -4.78 119.66 121.77 1a3r s GLN 166 Ca 0.60 2.44 -0.29 0.00 0.05 0.00 0.00 55.36 58.16 1a3r s GLN 166 Cb -0.12 -3.11 -0.11 0.00 1.10 0.00 0.00 33.01 30.77 1a3r s GLN 166 CO 0.52 -0.62 1.51 0.34 -0.55 0.00 0.00 175.29 176.49 1a3r s ASP 167 N 0.96 6.45 0.00 6.67 2.15 -0.55 -4.90 116.67 127.45 1a3r s ASP 167 Ca 0.69 2.91 0.24 0.00 0.43 0.00 0.00 52.55 56.82 1a3r s ASP 167 Cb -0.45 -2.64 1.29 0.00 -0.30 0.00 0.00 42.92 40.81 1a3r s ASP 167 CO 0.35 -0.83 1.82 -1.54 -0.17 0.00 0.00 175.17 174.79 1a3r n SER 168 N 1.56 0.00 -0.00 -0.34 3.41 -1.26 -2.30 113.62 114.69 1a3r n SER 168 Ca 0.05 -0.24 -0.02 0.00 -0.26 0.00 0.00 58.87 58.41 1a3r n SER 168 Cb 0.39 -0.22 -0.01 0.00 -0.26 0.00 0.00 64.21 64.12 1a3r n SER 168 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1a3r n LYS 169 N -1.22 0.09 0.00 4.33 4.76 -1.26 -4.16 118.16 120.70 1a3r n LYS 169 Ca 0.13 0.04 0.14 0.00 -2.87 0.00 0.00 58.31 55.74 1a3r n LYS 169 Cb 0.17 -0.48 0.50 0.00 -1.84 0.00 0.00 35.03 33.37 1a3r n LYS 169 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1a3r n ASP 170 N -3.10 1.09 -1.61 4.39 5.68 -1.26 -4.96 116.55 116.77 1a3r n ASP 170 Ca -0.02 -1.09 -0.19 0.00 -0.50 0.00 0.00 54.79 52.98 1a3r n ASP 170 Cb 0.09 0.05 -0.07 0.00 -1.14 0.00 0.00 41.12 40.04 1a3r n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1a3r n SER 171 N -0.38 -5.37 -5.01 -1.12 7.64 -0.97 -4.98 113.62 103.43 1a3r n SER 171 Ca 0.16 0.39 -0.18 0.00 1.01 0.00 0.00 58.87 60.25 1a3r n SER 171 Cb 0.33 -4.54 0.02 0.00 -1.01 0.00 0.00 64.21 59.01 1a3r n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1a3r s THR 172 N -2.76 2.91 0.25 0.44 -4.23 -1.26 -4.65 115.64 106.34 1a3r s THR 172 Ca 0.00 -0.96 0.12 0.00 -1.18 0.00 0.00 61.69 59.66 1a3r s THR 172 Cb 0.00 -2.95 -0.05 0.00 1.34 0.00 0.00 72.50 70.84 1a3r s THR 172 CO 0.00 0.00 -0.19 -0.31 -0.54 0.00 0.00 174.62 173.58 1a3r s TYR 173 N -2.41 2.33 0.03 3.99 2.02 -0.32 -1.48 117.35 121.51 1a3r s TYR 173 Ca 0.56 -0.33 0.01 0.00 -0.37 0.00 0.00 57.07 56.94 1a3r s TYR 173 Cb -0.10 -1.05 -0.02 0.00 -0.40 0.00 0.00 41.96 40.38 1a3r s TYR 173 CO 0.34 0.65 -0.04 -1.12 -1.57 0.00 0.00 175.55 173.80 1a3r s SER 174 N -3.27 0.46 0.03 2.29 0.01 -1.26 -1.11 113.70 110.85 1a3r s SER 174 Ca 0.27 -0.58 0.01 0.00 1.31 0.00 0.00 55.95 56.97 1a3r s SER 174 Cb -0.06 0.09 -0.02 0.00 0.21 0.00 0.00 66.02 66.24 1a3r s SER 174 CO 0.14 -0.31 -0.05 -0.32 0.41 0.00 0.00 173.24 173.11 1a3r s MET 175 N -1.81 0.44 -0.06 12.44 1.75 0.06 -1.99 119.30 130.14 1a3r s MET 175 Ca -0.11 -0.73 0.02 0.00 -1.25 0.00 0.00 55.69 53.62 1a3r s MET 175 Cb -0.08 -0.08 0.01 0.00 2.84 0.00 0.00 34.83 37.53 1a3r s MET 175 CO -0.02 -0.01 -0.11 0.45 -0.65 0.00 0.00 175.02 174.69 1a3r s SER 176 N -1.63 1.56 -0.09 1.11 0.15 0.12 -1.22 113.70 113.70 1a3r s SER 176 Ca -0.11 -0.25 0.01 0.00 0.70 0.00 0.00 55.95 56.30 1a3r s SER 176 Cb -0.09 -0.69 0.02 0.00 -1.71 0.00 0.00 66.02 63.55 1a3r s SER 176 CO -0.01 0.02 -0.11 -0.55 1.20 0.00 0.00 173.24 173.79 1a3r s SER 177 N 0.64 2.01 -0.10 5.45 0.15 -0.58 -0.89 113.70 120.37 1a3r s SER 177 Ca -0.12 -0.32 0.03 0.00 0.70 0.00 0.00 55.95 56.23 1a3r s SER 177 Cb -0.15 -0.88 0.01 0.00 -1.71 0.00 0.00 66.02 63.29 1a3r s SER 177 CO 0.03 -0.01 -0.20 -0.89 1.20 0.00 0.00 173.24 173.36 1a3r s THR 178 N 1.02 1.82 -0.29 6.45 2.01 -0.05 -1.21 115.64 125.38 1a3r s THR 178 Ca -0.08 -0.86 -0.08 0.00 0.31 0.00 0.00 61.69 60.98 1a3r s THR 178 Cb -0.15 -1.60 -0.00 0.00 0.01 0.00 0.00 72.50 70.76 1a3r s THR 178 CO -0.01 0.51 0.10 -0.22 -0.69 0.00 0.00 174.62 174.31 1a3r s LEU 179 N 0.58 3.85 -0.13 4.42 2.96 -0.33 -0.67 118.68 129.36 1a3r s LEU 179 Ca -0.14 -0.56 -0.02 0.00 -0.22 0.00 0.00 54.13 53.18 1a3r s LEU 179 Cb -0.17 -1.92 -0.02 0.00 0.50 0.00 0.00 46.19 44.57 1a3r s LEU 179 CO 0.04 -0.17 -0.06 -0.89 -1.32 0.00 0.00 176.35 173.96 1a3r s THR 180 N 1.55 3.67 0.30 3.68 2.01 0.49 -0.34 115.64 127.00 1a3r s THR 180 Ca 0.04 -0.45 0.02 0.00 0.31 0.00 0.00 61.69 61.62 1a3r s THR 180 Cb -0.17 -2.57 -0.04 0.00 0.01 0.00 0.00 72.50 69.72 1a3r s THR 180 CO 0.04 0.52 0.12 -0.76 -0.69 0.00 0.00 174.62 173.85 1a3r s LEU 181 N 0.14 1.73 0.53 4.42 1.43 0.29 -4.65 118.68 122.57 1a3r s LEU 181 Ca -0.03 -1.48 -0.07 0.00 -1.03 0.00 0.00 54.13 51.52 1a3r s LEU 181 Cb -0.14 0.04 -0.04 0.00 0.03 0.00 0.00 46.19 46.09 1a3r s LEU 181 CO 0.03 -0.80 0.87 0.42 0.23 0.00 0.00 176.35 177.10 1a3r s THR 182 N -3.61 4.81 0.44 5.49 -4.23 -1.26 -0.97 115.64 116.31 1a3r s THR 182 Ca 0.36 0.43 0.10 0.00 -1.18 0.00 0.00 61.69 61.39 1a3r s THR 182 Cb 0.06 -3.86 0.27 0.00 1.34 0.00 0.00 72.50 70.32 1a3r s THR 182 CO 0.15 -0.94 2.07 0.50 -0.54 0.00 0.00 174.62 175.87 1a3r h LYS 183 N 0.03 0.41 0.06 3.99 3.64 -1.69 -1.60 116.57 121.40 1a3r h LYS 183 Ca -0.46 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1a3r h LYS 183 Cb 1.20 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1a3r h LYS 183 CO 0.62 0.27 -0.03 -0.44 -2.27 0.00 0.00 179.45 177.60 1a3r h ASP 184 N 0.42 -0.07 -0.85 4.20 3.32 -1.93 -2.57 116.42 118.95 1a3r h ASP 184 Ca 0.13 -0.48 0.07 0.00 0.02 0.00 0.00 57.03 56.77 1a3r h ASP 184 Cb -0.00 0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.51 1a3r h ASP 184 CO -0.03 0.47 0.55 -0.08 -1.72 0.00 0.00 179.24 178.43 1a3r h GLU 185 N -0.63 0.90 -0.54 3.56 4.57 -1.90 -2.05 114.58 118.49 1a3r h GLU 185 Ca -0.01 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 58.06 1a3r h GLU 185 Cb 0.54 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.91 1a3r h GLU 185 CO 0.01 0.60 0.13 -0.92 -1.18 0.00 0.00 179.01 177.65 1a3r h TYR 186 N 0.93 0.91 0.00 0.92 3.20 -1.29 -2.84 116.97 118.80 1a3r h TYR 186 Ca 0.37 -0.11 0.00 0.00 3.14 0.00 0.00 58.73 62.13 1a3r h TYR 186 Cb 0.24 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.25 1a3r h TYR 186 CO -0.00 0.79 0.00 0.39 -1.64 0.00 0.00 178.16 177.70 1a3r n GLU 187 N -4.42 0.81 0.14 1.82 1.02 -0.80 -3.16 120.64 116.06 1a3r n GLU 187 Ca 0.02 0.01 0.12 0.00 -0.02 0.00 0.00 57.16 57.28 1a3r n GLU 187 Cb 0.23 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 30.21 1a3r n GLU 187 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1a3r h ARG 188 N 0.00 0.00 -5.51 3.49 3.08 -1.23 -3.47 114.38 110.74 1a3r h ARG 188 Ca 0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.98 59.41 1a3r h ARG 188 Cb 0.04 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.00 1a3r h ARG 188 CO 0.00 0.00 -0.41 -1.01 -1.07 0.00 0.00 179.97 177.48 1a3r s HIS 189 N -3.31 1.68 0.09 3.04 3.76 -1.19 -5.10 115.29 114.25 1a3r s HIS 189 Ca 0.02 -0.93 0.00 0.00 -0.15 0.00 0.00 55.06 54.00 1a3r s HIS 189 Cb 0.08 -1.74 0.00 0.00 1.11 0.00 0.00 32.58 32.03 1a3r s HIS 189 CO 0.75 -0.13 0.00 -1.71 -0.85 0.00 0.00 174.74 172.80 1a3r n ASN 190 N -1.53 0.27 -4.67 1.40 5.15 -1.26 -4.85 115.26 109.77 1a3r n ASN 190 Ca -0.12 0.15 -0.40 0.00 -0.60 0.00 0.00 54.58 53.61 1a3r n ASN 190 Cb 0.66 -0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.85 1a3r n ASN 190 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1a3r s SER 191 N -5.28 6.75 -0.16 1.20 0.15 -1.26 -0.79 113.70 114.30 1a3r s SER 191 Ca 0.00 0.90 0.01 0.00 0.70 0.00 0.00 55.95 57.57 1a3r s SER 191 Cb 0.00 -2.36 0.02 0.00 -1.71 0.00 0.00 66.02 61.97 1a3r s SER 191 CO 0.00 -0.24 -0.20 -0.31 1.20 0.00 0.00 173.24 173.68 1a3r s TYR 192 N 1.69 2.70 -0.05 3.44 1.51 -0.68 -0.51 117.35 125.46 1a3r s TYR 192 Ca 0.30 -1.51 0.04 0.00 -1.01 0.00 0.00 57.07 54.89 1a3r s TYR 192 Cb -0.16 -1.86 -0.00 0.00 -0.11 0.00 0.00 41.96 39.83 1a3r s TYR 192 CO 0.11 -0.73 -0.17 0.99 -1.11 0.00 0.00 175.55 174.65 1a3r s THR 193 N 1.13 1.42 -0.33 -0.71 2.01 0.50 -2.33 115.64 117.33 1a3r s THR 193 Ca 0.01 -0.70 -0.08 0.00 0.31 0.00 0.00 61.69 61.23 1a3r s THR 193 Cb -0.14 -1.23 0.01 0.00 0.01 0.00 0.00 72.50 71.16 1a3r s THR 193 CO -0.09 0.41 0.13 0.00 -0.69 0.00 0.00 174.62 174.39 1a3r s GLU 195 N 1.53 2.90 -0.06 0.00 2.12 -0.28 -2.01 118.70 122.89 1a3r s GLU 195 Ca 0.02 -0.92 0.02 0.00 0.36 0.00 0.00 54.97 54.45 1a3r s GLU 195 Cb -0.18 -2.84 -0.03 0.00 0.26 0.00 0.00 34.13 31.34 1a3r s GLU 195 CO 0.05 -0.33 -0.10 0.00 -0.54 0.00 0.00 175.26 174.34 1a3r s ALA 196 N 1.31 2.83 -0.20 6.30 0.00 -0.11 -0.80 121.76 131.10 1a3r s ALA 196 Ca 0.02 -0.93 -0.00 0.00 0.00 0.00 0.00 51.96 51.04 1a3r s ALA 196 Cb -0.15 -1.10 0.02 0.00 0.00 0.00 0.00 23.12 21.88 1a3r s ALA 196 CO -0.07 0.56 -0.15 0.99 0.00 0.00 0.00 175.76 177.09 1a3r s THR 197 N -0.77 2.42 0.04 0.00 2.01 0.01 -0.38 115.64 118.97 1a3r s THR 197 Ca 0.12 -0.87 0.01 0.00 0.31 0.00 0.00 61.69 61.26 1a3r s THR 197 Cb -0.11 -2.07 -0.02 0.00 0.01 0.00 0.00 72.50 70.31 1a3r s THR 197 CO 0.01 0.47 -0.06 -2.28 -0.69 0.00 0.00 174.62 172.07 1a3r s HIS 198 N 1.33 0.56 0.50 4.92 2.46 -1.26 -2.15 115.29 121.65 1a3r s HIS 198 Ca 0.04 -0.56 0.30 0.00 0.47 0.00 0.00 55.06 55.31 1a3r s HIS 198 Cb -0.14 -0.35 1.40 0.00 -0.13 0.00 0.00 32.58 33.36 1a3r s HIS 198 CO -0.10 -0.13 1.82 -0.22 -2.47 0.00 0.00 174.74 173.64 1a3r h LYS 199 N 4.39 0.11 0.00 2.88 3.64 -1.94 -1.91 116.57 123.73 1a3r h LYS 199 Ca -0.35 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 1a3r h LYS 199 Cb 1.20 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1a3r h LYS 199 CO 0.43 0.08 0.00 0.25 -2.27 0.00 0.00 179.45 177.94 1a3r n THR 200 N -4.33 0.00 -3.76 1.00 -2.24 -1.26 -4.75 114.28 98.94 1a3r n THR 200 Ca 0.23 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.88 1a3r n THR 200 Cb 1.05 -0.60 -0.11 0.00 -2.10 0.00 0.00 70.33 68.57 1a3r n THR 200 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1a3r s SER 201 N -1.90 -0.33 0.15 3.42 0.15 -0.72 -4.99 113.70 109.48 1a3r s SER 201 Ca 0.27 0.63 0.03 0.00 0.70 0.00 0.00 55.95 57.58 1a3r s SER 201 Cb 0.12 0.63 -0.06 0.00 -1.71 0.00 0.00 66.02 65.01 1a3r s SER 201 CO 0.21 -0.11 1.34 0.71 1.20 0.00 0.00 173.24 176.59 1a3r h THR 202 N 4.70 1.53 -2.93 6.45 1.35 -1.85 -3.42 112.91 118.75 1a3r h THR 202 Ca -0.27 -2.79 -0.65 0.00 -0.55 0.00 0.00 66.41 62.15 1a3r h THR 202 Cb 1.19 2.58 -0.08 0.00 -1.73 0.00 0.00 68.15 70.10 1a3r h THR 202 CO 0.31 0.81 -0.53 -0.44 -0.25 0.00 0.00 175.52 175.42 1a3r s SER 203 N -6.91 6.03 0.35 5.36 0.01 -1.26 -5.08 113.70 112.20 1a3r s SER 203 Ca -0.02 0.28 -0.28 0.00 1.31 0.00 0.00 55.95 57.23 1a3r s SER 203 Cb 0.10 -1.83 -0.11 0.00 0.21 0.00 0.00 66.02 64.39 1a3r s SER 203 CO 0.83 0.30 1.38 -2.84 0.41 0.00 0.00 173.24 173.32 1a3r s PRO 204 N -1.64 4.26 -0.26 12.44 0.02 -1.26 -4.88 135.00 143.66 1a3r s PRO 204 Ca 0.23 2.36 -0.27 0.00 0.02 0.00 0.00 61.00 63.34 1a3r s PRO 204 Cb -0.12 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.37 1a3r s PRO 204 CO 0.13 -0.33 0.94 0.42 -0.33 0.00 0.00 177.00 177.83 1a3r s ILE 205 N -1.09 4.72 -0.09 2.83 1.01 0.49 -4.89 121.20 124.17 1a3r s ILE 205 Ca 0.51 1.72 0.02 0.00 0.00 0.00 0.00 60.65 62.90 1a3r s ILE 205 Cb -0.42 -4.24 -0.02 0.00 0.01 0.00 0.00 42.46 37.79 1a3r s ILE 205 CO 0.57 -0.20 -0.17 -0.69 0.00 0.00 0.00 174.94 174.45 1a3r s VAL 206 N 3.12 2.76 -0.04 2.92 1.01 -1.26 -0.93 120.40 127.98 1a3r s VAL 206 Ca 0.40 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.61 1a3r s VAL 206 Cb -0.14 -2.11 0.01 0.00 0.00 0.00 0.00 36.38 34.14 1a3r s VAL 206 CO 0.09 0.55 -0.10 -0.54 0.00 0.00 0.00 175.10 175.10 1a3r s LYS 207 N -0.02 1.15 0.24 2.72 -0.14 -0.85 -5.02 119.74 117.81 1a3r s LYS 207 Ca -0.05 -0.33 -0.16 0.00 -1.36 0.00 0.00 55.97 54.07 1a3r s LYS 207 Cb -0.14 -1.04 0.01 0.00 -1.68 0.00 0.00 37.83 34.98 1a3r s LYS 207 CO 0.04 0.09 0.54 0.45 -0.76 0.00 0.00 175.35 175.72 1a3r s SER 208 N 0.34 -0.17 0.17 2.83 0.15 -1.26 -1.00 113.70 114.77 1a3r s SER 208 Ca -0.06 -0.73 -0.21 0.00 0.70 0.00 0.00 55.95 55.65 1a3r s SER 208 Cb -0.11 0.61 0.05 0.00 -1.71 0.00 0.00 66.02 64.87 1a3r s SER 208 CO 0.01 -1.16 0.57 0.72 1.20 0.00 0.00 173.24 174.58 1a3r s PHE 209 N -3.96 -0.39 -0.16 3.44 -0.12 -0.98 -5.02 117.98 110.79 1a3r s PHE 209 Ca 0.16 0.11 -0.01 0.00 -0.05 0.00 0.00 56.93 57.15 1a3r s PHE 209 Cb -0.02 0.51 -0.01 0.00 -0.63 0.00 0.00 43.02 42.87 1a3r s PHE 209 CO 0.05 -0.88 -0.12 -0.80 -0.05 0.00 0.00 175.22 173.42 1a3r s ASN 210 N -2.80 3.96 0.19 1.98 0.01 -1.26 -1.68 114.94 115.34 1a3r s ASN 210 Ca 0.04 -0.39 -0.12 0.00 -0.71 0.00 0.00 52.86 51.68 1a3r s ASN 210 Cb -0.01 -1.62 0.19 0.00 0.41 0.00 0.00 41.25 40.22 1a3r s ASN 210 CO -0.09 0.10 1.74 -0.09 -1.51 0.00 0.00 177.10 177.25 1a3r h ARG 211 N 7.19 0.34 0.00 -0.60 2.43 -1.29 -2.51 114.38 119.94 1a3r h ARG 211 Ca -0.32 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 1a3r h ARG 211 Cb 1.19 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 1a3r h ARG 211 CO 0.57 0.22 0.00 0.27 -1.51 0.00 0.00 179.97 179.53 1a3r n ASN 212 N -5.02 0.00 -4.87 -3.80 2.04 -1.26 -4.80 115.26 97.55 1a3r n ASN 212 Ca 0.06 -0.33 -0.22 0.00 -0.44 0.00 0.00 54.58 53.65 1a3r n ASN 212 Cb 0.22 -0.11 -0.03 0.00 -2.53 0.00 0.00 39.78 37.33 1a3r n ASN 212 CO 0.00 0.00 0.00 -1.61 -0.44 0.00 0.00 177.26 175.21 1a3r s GLU 213 N -2.21 2.48 0.00 -3.83 2.02 -0.95 -5.27 118.70 110.94 1a3r s GLU 213 Ca 0.23 -1.61 0.00 0.00 0.02 0.00 0.00 54.97 53.61 1a3r s GLU 213 Cb 0.12 -2.33 0.00 0.00 0.10 0.00 0.00 34.13 32.02 1a3r s GLU 213 CO 0.23 -0.24 0.00 0.00 0.02 0.00 0.00 175.26 175.26