#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a4g s PRO 2 N 0.00 3.35 -0.33 0.00 0.04 -1.26 -4.99 135.00 131.81 2a4g s PRO 2 Ca 0.00 0.77 -0.28 0.00 0.04 0.00 0.00 61.00 61.54 2a4g s PRO 2 Cb 0.00 -2.05 0.01 0.00 0.04 0.00 0.00 34.50 32.50 2a4g s PRO 2 CO 0.00 -0.76 1.01 0.42 0.04 0.00 0.00 177.00 177.71 2a4g s ILE 3 N -3.16 4.56 0.07 0.56 1.01 -1.26 -5.02 121.20 117.96 2a4g s ILE 3 Ca 0.56 1.56 0.06 0.00 0.00 0.00 0.00 60.65 62.83 2a4g s ILE 3 Cb -0.12 -4.36 -0.03 0.00 0.01 0.00 0.00 42.46 37.96 2a4g s ILE 3 CO 0.54 -0.46 -0.17 0.42 0.00 0.00 0.00 174.94 175.27 2a4g s THR 4 N 3.53 1.34 0.02 2.92 -4.23 -1.26 -4.92 115.64 113.04 2a4g s THR 4 Ca 0.42 -1.32 -0.06 0.00 -1.18 0.00 0.00 61.69 59.56 2a4g s THR 4 Cb -0.12 -1.24 -0.01 0.00 1.34 0.00 0.00 72.50 72.47 2a4g s THR 4 CO 0.16 -0.10 0.10 0.00 -0.54 0.00 0.00 174.62 174.23 2a4g s ALA 5 N -1.13 -0.17 0.03 3.99 0.00 -1.26 -5.11 121.76 118.12 2a4g s ALA 5 Ca 0.02 -0.35 0.01 0.00 0.00 0.00 0.00 51.96 51.64 2a4g s ALA 5 Cb -0.10 0.16 -0.02 0.00 0.00 0.00 0.00 23.12 23.17 2a4g s ALA 5 CO 0.03 -0.24 -0.05 1.52 0.00 0.00 0.00 175.76 177.02 2a4g s TYR 6 N -1.80 0.47 0.12 0.00 -0.85 -1.26 -4.80 117.35 109.22 2a4g s TYR 6 Ca -0.12 -0.47 0.08 0.00 -0.52 0.00 0.00 57.07 56.04 2a4g s TYR 6 Cb -0.06 -0.30 -0.04 0.00 0.38 0.00 0.00 41.96 41.95 2a4g s TYR 6 CO -0.01 -0.12 -0.12 0.00 -1.52 0.00 0.00 175.55 173.78 2a4g s ALA 7 N -1.29 2.88 -0.04 9.51 0.00 -1.26 -4.92 121.76 126.64 2a4g s ALA 7 Ca -0.11 -1.30 -0.01 0.00 0.00 0.00 0.00 51.96 50.53 2a4g s ALA 7 Cb -0.09 -0.81 0.03 0.00 0.00 0.00 0.00 23.12 22.25 2a4g s ALA 7 CO -0.00 0.61 0.08 -0.65 0.00 0.00 0.00 175.76 175.80 2a4g s GLN 8 N -2.26 -0.02 -0.03 0.00 -0.21 -1.26 -5.09 119.66 110.79 2a4g s GLN 8 Ca 0.21 0.32 -0.28 0.00 0.02 0.00 0.00 55.36 55.63 2a4g s GLN 8 Cb -0.11 -0.31 -0.03 0.00 1.00 0.00 0.00 33.01 33.56 2a4g s GLN 8 CO 0.13 -0.23 0.89 -1.14 -2.12 0.00 0.00 175.29 172.82 2a4g s GLN 9 N 1.56 4.50 -0.03 2.91 0.74 -1.26 -4.95 119.66 123.13 2a4g s GLN 9 Ca -0.04 1.24 0.20 0.00 0.05 0.00 0.00 55.36 56.81 2a4g s GLN 9 Cb -0.12 -3.47 -0.30 0.00 1.10 0.00 0.00 33.01 30.22 2a4g s GLN 9 CO -0.04 -0.04 0.46 0.25 -0.55 0.00 0.00 175.29 175.37 2a4g n THR 10 N 3.94 0.00 -3.51 -0.34 -2.24 -1.26 -5.03 114.28 105.84 2a4g n THR 10 Ca 0.04 -0.42 -0.16 0.00 -2.27 0.00 0.00 64.05 61.24 2a4g n THR 10 Cb 0.51 0.12 -0.05 0.00 -2.10 0.00 0.00 70.33 68.81 2a4g n THR 10 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2a4g s ARG 11 N -3.33 1.10 0.79 -0.78 1.70 -1.26 -5.11 118.95 112.06 2a4g s ARG 11 Ca -0.06 0.02 -0.03 0.00 -0.47 0.00 0.00 55.73 55.19 2a4g s ARG 11 Cb 0.13 0.52 0.16 0.00 -0.57 0.00 0.00 34.95 35.19 2a4g s ARG 11 CO 0.82 -0.39 1.09 0.41 -1.08 0.00 0.00 175.30 176.15 2a4g n GLY 12 N 0.55 0.25 0.20 3.88 0.00 -1.26 -4.85 105.19 103.96 2a4g n GLY 12 Ca -0.18 -1.97 -0.06 0.00 0.00 0.00 0.00 46.02 43.80 2a4g n GLY 12 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2a4g h LEU 13 N 0.00 -0.49 -0.53 0.99 5.85 -2.02 0.10 115.31 119.21 2a4g h LEU 13 Ca -0.36 0.12 -0.13 0.00 0.84 0.00 0.00 57.88 58.36 2a4g h LEU 13 Cb 1.25 0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.54 2a4g h LEU 13 CO 0.35 -0.18 -0.21 0.25 -0.34 0.00 0.00 178.44 178.31 2a4g h LEU 14 N -0.09 0.99 -0.75 2.25 5.85 -1.99 -1.46 115.31 120.11 2a4g h LEU 14 Ca 0.17 -0.37 -0.10 0.00 0.84 0.00 0.00 57.88 58.41 2a4g h LEU 14 Cb 0.34 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 2a4g h LEU 14 CO -0.39 1.16 -0.16 1.23 -0.34 0.00 0.00 178.44 179.94 2a4g h GLY 15 N 0.89 0.85 0.92 3.75 0.00 -1.86 -2.40 103.07 105.22 2a4g h GLY 15 Ca 0.11 -0.68 -0.00 0.00 0.00 0.00 0.00 47.33 46.76 2a4g h GLY 15 CO 0.07 0.62 -0.00 0.00 0.00 0.00 0.00 176.54 177.22 2a4g h ILE 17 N -0.08 0.95 -0.38 0.00 2.04 -1.13 0.25 117.51 119.16 2a4g h ILE 17 Ca -0.00 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 2a4g h ILE 17 Cb 0.08 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 2a4g h ILE 17 CO 0.00 0.09 0.18 0.40 0.00 0.00 0.00 178.15 178.82 2a4g h ILE 18 N 0.50 1.17 -0.44 -0.67 2.04 -1.35 -2.30 117.51 116.47 2a4g h ILE 18 Ca 0.22 -0.50 -0.05 0.00 1.00 0.00 0.00 64.86 65.53 2a4g h ILE 18 Cb 0.13 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 2a4g h ILE 18 CO -0.16 0.19 0.07 0.74 0.00 0.00 0.00 178.15 178.99 2a4g h THR 19 N 0.47 1.21 -0.32 -0.27 2.02 -0.81 0.78 112.91 115.99 2a4g h THR 19 Ca 0.13 -0.78 -0.00 0.00 0.77 0.00 0.00 66.41 66.52 2a4g h THR 19 Cb 0.13 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 2a4g h THR 19 CO -0.02 0.28 0.19 -1.28 0.37 0.00 0.00 175.52 175.06 2a4g h SER 20 N 0.65 0.39 0.14 4.18 0.87 -0.12 0.36 113.55 120.02 2a4g h SER 20 Ca 0.14 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 2a4g h SER 20 Cb 0.30 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 2a4g h SER 20 CO 0.00 0.33 -0.06 -0.07 -0.53 0.00 0.00 176.83 176.50 2a4g h LEU 21 N 0.40 -0.15 -1.22 2.23 4.07 -0.92 -3.26 115.31 116.46 2a4g h LEU 21 Ca 0.11 -0.40 -0.04 0.00 0.08 0.00 0.00 57.88 57.64 2a4g h LEU 21 Cb 0.02 0.04 -0.02 0.00 1.08 0.00 0.00 40.66 41.78 2a4g h LEU 21 CO -0.02 0.39 0.08 0.71 -1.08 0.00 0.00 178.44 178.52 2a4g h THR 22 N -0.78 1.19 0.00 0.22 1.35 -0.88 -3.46 112.91 110.56 2a4g h THR 22 Ca -0.02 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 2a4g h THR 22 Cb 0.54 0.79 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 2a4g h THR 22 CO 0.03 0.25 0.00 0.61 -0.25 0.00 0.00 175.52 176.16 2a4g n GLY 23 N -0.97 0.41 3.22 5.82 0.00 0.13 -4.67 105.19 109.13 2a4g n GLY 23 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 2a4g n GLY 23 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2a4g s ARG 24 N -0.52 2.59 -0.25 1.61 3.52 -1.25 -1.61 118.95 123.05 2a4g s ARG 24 Ca 0.00 -1.17 -0.04 0.00 -0.13 0.00 0.00 55.73 54.40 2a4g s ARG 24 Cb 0.00 -3.27 0.01 0.00 -1.56 0.00 0.00 34.95 30.13 2a4g s ARG 24 CO 0.00 -0.60 -0.03 0.34 -0.81 0.00 0.00 175.30 174.21 2a4g s ASP 25 N 1.33 4.46 0.00 -2.12 2.15 0.13 -4.82 116.67 117.81 2a4g s ASP 25 Ca -0.03 -0.65 0.25 0.00 0.43 0.00 0.00 52.55 52.55 2a4g s ASP 25 Cb -0.19 -1.74 0.37 0.00 -0.30 0.00 0.00 42.92 41.06 2a4g s ASP 25 CO 0.00 -0.10 1.33 0.29 -0.17 0.00 0.00 175.17 176.53 2a4g n LYS 26 N 4.76 1.31 -1.90 4.34 4.76 -1.26 -0.16 118.16 130.01 2a4g n LYS 26 Ca -0.17 -0.98 -0.37 0.00 -2.87 0.00 0.00 58.31 53.92 2a4g n LYS 26 Cb 0.49 -1.48 0.04 0.00 -1.84 0.00 0.00 35.03 32.24 2a4g n LYS 26 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2a4g s ASN 27 N -2.36 5.10 0.30 4.39 0.02 -1.26 -4.98 114.94 116.14 2a4g s ASN 27 Ca 0.24 2.54 -0.27 0.00 -1.02 0.00 0.00 52.86 54.34 2a4g s ASN 27 Cb 0.19 -2.61 -0.10 0.00 0.02 0.00 0.00 41.25 38.75 2a4g s ASN 27 CO 0.49 -1.67 0.96 -1.58 0.02 0.00 0.00 177.10 175.32 2a4g s GLN 28 N -3.21 4.63 0.00 -0.60 0.74 -1.26 -4.94 119.66 115.02 2a4g s GLN 28 Ca 0.77 1.41 0.02 0.00 0.05 0.00 0.00 55.36 57.61 2a4g s GLN 28 Cb -0.35 -2.93 -0.04 0.00 1.10 0.00 0.00 33.01 30.79 2a4g s GLN 28 CO 0.38 0.31 -0.01 0.08 -0.55 0.00 0.00 175.29 175.51 2a4g s VAL 29 N -1.48 4.11 -0.02 1.34 1.01 -1.26 -5.11 120.40 118.99 2a4g s VAL 29 Ca 0.48 -0.63 -0.21 0.00 0.00 0.00 0.00 61.98 61.62 2a4g s VAL 29 Cb -0.22 -2.83 0.04 0.00 0.00 0.00 0.00 36.38 33.38 2a4g s VAL 29 CO 0.27 0.37 0.46 -1.61 0.00 0.00 0.00 175.10 174.59 2a4g s GLU 30 N -1.56 0.85 0.00 2.72 2.02 -1.26 -4.14 118.70 117.33 2a4g s GLU 30 Ca 0.19 -0.06 0.00 0.00 0.02 0.00 0.00 54.97 55.12 2a4g s GLU 30 Cb -0.11 0.39 0.00 0.00 0.10 0.00 0.00 34.13 34.51 2a4g s GLU 30 CO 0.10 -0.26 0.00 0.41 0.02 0.00 0.00 175.26 175.53 2a4g n GLY 31 N 1.01 2.00 0.10 -1.39 0.00 -1.26 -4.85 105.19 100.80 2a4g n GLY 31 Ca -0.20 -2.00 -0.12 0.00 0.00 0.00 0.00 46.02 43.70 2a4g n GLY 31 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2a4g n GLU 32 N 1.13 0.67 -5.15 1.61 4.71 -1.24 -0.43 120.64 121.95 2a4g n GLU 32 Ca 0.00 0.19 -0.32 0.00 -0.01 0.00 0.00 57.16 57.02 2a4g n GLU 32 Cb 0.00 -1.67 -0.15 0.00 -1.01 0.00 0.00 31.44 28.60 2a4g n GLU 32 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2a4g s VAL 33 N -2.55 2.41 -0.08 2.62 1.01 -1.26 -0.80 120.40 121.74 2a4g s VAL 33 Ca -0.12 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 60.92 2a4g s VAL 33 Cb 0.07 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 2a4g s VAL 33 CO 0.79 0.58 -0.15 -1.10 0.00 0.00 0.00 175.10 175.23 2a4g s GLN 34 N -0.50 2.88 -0.26 2.72 -1.52 0.60 -4.96 119.66 118.63 2a4g s GLN 34 Ca 0.06 -0.71 -0.27 0.00 -1.95 0.00 0.00 55.36 52.50 2a4g s GLN 34 Cb -0.11 -2.47 0.01 0.00 -0.22 0.00 0.00 33.01 30.22 2a4g s GLN 34 CO 0.01 0.43 0.96 0.42 -0.25 0.00 0.00 175.29 176.86 2a4g s ILE 35 N -0.24 4.70 0.07 1.08 1.01 -1.26 -1.32 121.20 125.25 2a4g s ILE 35 Ca 0.01 1.73 0.09 0.00 0.00 0.00 0.00 60.65 62.48 2a4g s ILE 35 Cb -0.13 -4.26 -0.03 0.00 0.01 0.00 0.00 42.46 38.05 2a4g s ILE 35 CO 0.03 -0.22 -0.24 -0.69 0.00 0.00 0.00 174.94 173.82 2a4g s VAL 36 N 3.16 2.36 0.08 2.92 1.01 0.67 -4.98 120.40 125.62 2a4g s VAL 36 Ca 0.40 -1.44 -0.03 0.00 0.00 0.00 0.00 61.98 60.92 2a4g s VAL 36 Cb -0.14 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 2a4g s VAL 36 CO 0.09 0.28 0.05 -0.44 0.00 0.00 0.00 175.10 175.08 2a4g s SER 37 N -1.53 0.36 0.31 3.32 0.01 -1.26 0.20 113.70 115.12 2a4g s SER 37 Ca 0.13 -0.98 0.04 0.00 1.31 0.00 0.00 55.95 56.45 2a4g s SER 37 Cb -0.10 0.26 -0.01 0.00 0.21 0.00 0.00 66.02 66.37 2a4g s SER 37 CO 0.04 -0.67 0.13 0.35 0.41 0.00 0.00 173.24 173.50 2a4g n THR 38 N 0.02 0.00 0.28 1.44 -2.24 0.02 -4.99 114.28 108.81 2a4g n THR 38 Ca -0.12 -1.88 0.16 0.00 -2.27 0.00 0.00 64.05 59.94 2a4g n THR 38 Cb 0.62 0.72 0.75 0.00 -2.10 0.00 0.00 70.33 70.32 2a4g n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2a4g h ALA 39 N 1.58 1.06 0.00 6.98 0.00 -2.00 -3.28 119.26 123.61 2a4g h ALA 39 Ca -0.24 -0.06 -0.35 0.00 0.00 0.00 0.00 54.91 54.26 2a4g h ALA 39 Cb 0.96 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.67 2a4g h ALA 39 CO 0.38 0.08 -2.32 0.25 0.00 0.00 0.00 179.25 177.63 2a4g n THR 40 N -3.25 1.33 -3.73 0.00 -2.24 -1.26 -5.06 114.28 100.06 2a4g n THR 40 Ca -0.01 -0.67 -0.10 0.00 -2.27 0.00 0.00 64.05 61.01 2a4g n THR 40 Cb 0.27 -0.90 -0.05 0.00 -2.10 0.00 0.00 70.33 67.55 2a4g n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2a4g s GLN 41 N -2.47 1.09 -0.05 -0.78 -2.07 -1.24 -5.15 119.66 109.00 2a4g s GLN 41 Ca -0.20 -0.83 0.06 0.00 -1.82 0.00 0.00 55.36 52.57 2a4g s GLN 41 Cb 0.07 0.45 -0.01 0.00 -1.09 0.00 0.00 33.01 32.42 2a4g s GLN 41 CO 0.67 -0.42 -0.23 -0.08 -1.32 0.00 0.00 175.29 173.91 2a4g s THR 42 N -3.85 1.89 0.00 3.63 -1.32 -1.26 -0.80 115.64 113.93 2a4g s THR 42 Ca 0.06 -0.98 0.00 0.00 -1.21 0.00 0.00 61.69 59.56 2a4g s THR 42 Cb 0.02 -1.59 0.00 0.00 -1.51 0.00 0.00 72.50 69.42 2a4g s THR 42 CO -0.09 0.53 0.00 2.22 -2.21 0.00 0.00 174.62 175.07 2a4g n PHE 43 N 2.90 0.00 -4.42 9.09 -1.74 0.13 -4.26 117.46 119.17 2a4g n PHE 43 Ca -0.17 0.00 -0.21 0.00 -0.56 0.00 0.00 57.45 56.51 2a4g n PHE 43 Cb 0.52 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.42 2a4g n PHE 43 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 2a4g s LEU 44 N 0.00 2.54 -0.01 5.98 1.43 -0.43 -0.24 118.68 127.95 2a4g s LEU 44 Ca 0.00 -1.12 -0.01 0.00 -1.03 0.00 0.00 54.13 51.97 2a4g s LEU 44 Cb 0.00 -0.74 0.00 0.00 0.03 0.00 0.00 46.19 45.48 2a4g s LEU 44 CO 0.00 -0.23 0.03 0.00 0.23 0.00 0.00 176.35 176.38 2a4g s ALA 45 N -2.90 -0.08 -0.08 4.21 0.00 -0.43 -4.12 121.76 118.37 2a4g s ALA 45 Ca 0.28 0.09 0.05 0.00 0.00 0.00 0.00 51.96 52.37 2a4g s ALA 45 Cb 0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 23.12 23.08 2a4g s ALA 45 CO 0.11 -0.01 -0.23 0.99 0.00 0.00 0.00 175.76 176.62 2a4g s THR 46 N 0.02 1.93 -0.24 0.00 2.01 0.84 -0.29 115.64 119.91 2a4g s THR 46 Ca -0.00 -0.96 -0.21 0.00 0.31 0.00 0.00 61.69 60.83 2a4g s THR 46 Cb -0.00 -1.66 -0.02 0.00 0.01 0.00 0.00 72.50 70.83 2a4g s THR 46 CO 0.00 0.53 0.64 0.00 -0.69 0.00 0.00 174.62 175.11 2a4g s ILE 48 N 2.35 0.75 -1.49 0.00 1.01 0.38 -0.72 121.20 123.49 2a4g s ILE 48 Ca 0.27 -0.23 -0.01 0.00 0.00 0.00 0.00 60.65 60.68 2a4g s ILE 48 Cb -0.16 -0.75 0.01 0.00 0.01 0.00 0.00 42.46 41.57 2a4g s ILE 48 CO 0.09 0.28 0.21 0.59 0.00 0.00 0.00 174.94 176.11 2a4g n ASN 49 N 4.10 0.28 0.00 3.58 4.13 -0.56 -1.24 115.26 125.55 2a4g n ASN 49 Ca -0.22 -1.15 0.00 0.00 1.68 0.00 0.00 54.58 54.88 2a4g n ASN 49 Cb 0.51 -2.26 0.00 0.00 -1.54 0.00 0.00 39.78 36.49 2a4g n ASN 49 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2a4g n GLY 50 N -2.28 0.50 3.21 7.41 0.00 -1.26 -5.01 105.19 107.77 2a4g n GLY 50 Ca -0.31 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.44 2a4g n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a4g s VAL 51 N -2.22 1.63 -0.61 1.61 1.01 -0.38 -1.10 120.40 120.34 2a4g s VAL 51 Ca 0.00 -0.86 -0.17 0.00 0.00 0.00 0.00 61.98 60.95 2a4g s VAL 51 Cb 0.00 -1.36 0.13 0.00 0.00 0.00 0.00 36.38 35.15 2a4g s VAL 51 CO 0.00 0.46 0.64 0.00 0.00 0.00 0.00 175.10 176.20 2a4g s TRP 53 N 1.89 3.47 0.37 0.00 0.52 0.61 -1.94 118.94 123.86 2a4g s TRP 53 Ca 0.09 0.62 -0.16 0.00 0.02 0.00 0.00 56.10 56.68 2a4g s TRP 53 Cb -0.24 -2.08 0.06 0.00 -1.15 0.00 0.00 33.47 30.06 2a4g s TRP 53 CO 0.02 0.23 0.83 -2.37 0.02 0.00 0.00 176.95 175.68 2a4g n THR 54 N -0.75 0.00 -2.82 2.01 5.66 -0.69 -0.11 114.28 117.58 2a4g n THR 54 Ca -0.02 -0.93 -0.41 0.00 -3.05 0.00 0.00 64.05 59.64 2a4g n THR 54 Cb 0.54 0.96 -0.04 0.00 -1.55 0.00 0.00 70.33 70.24 2a4g n THR 54 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 2a4g s VAL 55 N -2.09 4.71 0.36 1.08 -7.23 -1.26 -2.01 120.40 113.96 2a4g s VAL 55 Ca 0.17 1.89 0.05 0.00 -1.81 0.00 0.00 61.98 62.28 2a4g s VAL 55 Cb -0.05 -4.24 0.21 0.00 0.56 0.00 0.00 36.38 32.86 2a4g s VAL 55 CO 0.11 0.28 1.96 0.22 -0.31 0.00 0.00 175.10 177.36 2a4g h TYR 56 N 6.03 0.57 0.00 2.82 3.20 -1.28 0.35 116.97 128.66 2a4g h TYR 56 Ca -0.42 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.42 2a4g h TYR 56 Cb 1.21 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.30 2a4g h TYR 56 CO 0.66 0.46 0.00 -2.39 -1.64 0.00 0.00 178.16 175.25 2a4g n HIS 57 N -4.37 0.00 -0.03 -3.82 1.44 -1.26 0.38 115.22 107.56 2a4g n HIS 57 Ca 0.03 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.67 2a4g n HIS 57 Cb 0.15 -0.10 -0.02 0.00 0.12 0.00 0.00 29.99 30.14 2a4g n HIS 57 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2a4g n GLY 58 N -0.32 -0.11 0.16 -1.39 0.00 -0.13 -4.77 105.19 98.63 2a4g n GLY 58 Ca 0.07 -0.03 0.07 0.00 0.00 0.00 0.00 46.02 46.13 2a4g n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a4g h ALA 59 N -0.24 0.75 -0.98 4.61 0.00 -0.92 -3.48 119.26 119.00 2a4g h ALA 59 Ca -0.16 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2a4g h ALA 59 Cb 1.12 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2a4g h ALA 59 CO -0.10 0.35 0.00 0.41 0.00 0.00 0.00 179.25 179.91 2a4g n GLY 60 N 1.20 3.37 0.57 0.00 0.00 0.16 -1.91 105.19 108.58 2a4g n GLY 60 Ca 0.01 -0.19 0.08 0.00 0.00 0.00 0.00 46.02 45.91 2a4g n GLY 60 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2a4g n THR 61 N 0.00 2.15 -1.11 2.61 5.66 -1.26 -4.84 114.28 117.49 2a4g n THR 61 Ca 0.00 -2.22 -0.32 0.00 -3.05 0.00 0.00 64.05 58.46 2a4g n THR 61 Cb 0.00 -0.26 0.12 0.00 -1.55 0.00 0.00 70.33 68.64 2a4g n THR 61 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 2a4g s ARG 62 N -2.92 1.76 0.62 1.09 0.52 -0.80 -4.82 118.95 114.39 2a4g s ARG 62 Ca 0.38 1.49 -0.04 0.00 -0.52 0.00 0.00 55.73 57.04 2a4g s ARG 62 Cb 0.33 -1.82 0.04 0.00 0.52 0.00 0.00 34.95 34.02 2a4g s ARG 62 CO 0.04 -2.07 0.91 0.95 0.02 0.00 0.00 175.30 175.15 2a4g s THR 63 N -2.53 2.77 -0.09 0.02 -4.23 -1.26 -4.48 115.64 105.84 2a4g s THR 63 Ca 0.67 -0.33 0.01 0.00 -1.18 0.00 0.00 61.69 60.86 2a4g s THR 63 Cb -0.23 -3.12 -0.02 0.00 1.34 0.00 0.00 72.50 70.47 2a4g s THR 63 CO 0.53 -0.12 -0.12 -0.51 -0.54 0.00 0.00 174.62 173.86 2a4g s ILE 64 N -3.02 3.17 -0.00 2.99 2.07 0.21 -4.82 121.20 121.79 2a4g s ILE 64 Ca 0.57 -0.65 -0.30 0.00 -1.41 0.00 0.00 60.65 58.86 2a4g s ILE 64 Cb -0.11 -2.29 -0.06 0.00 0.13 0.00 0.00 42.46 40.14 2a4g s ILE 64 CO 0.43 0.56 1.45 0.00 -1.91 0.00 0.00 174.94 175.46 2a4g s ALA 65 N -0.23 3.60 0.31 1.50 0.00 -1.26 -0.40 121.76 125.28 2a4g s ALA 65 Ca 0.01 0.91 0.03 0.00 0.00 0.00 0.00 51.96 52.91 2a4g s ALA 65 Cb -0.13 -3.62 -0.05 0.00 0.00 0.00 0.00 23.12 19.32 2a4g s ALA 65 CO 0.03 -0.99 0.11 -1.54 0.00 0.00 0.00 175.76 173.38 2a4g s SER 66 N 2.06 1.77 0.64 0.00 1.04 -0.43 -4.49 113.70 114.29 2a4g s SER 66 Ca 0.65 -1.48 0.40 0.00 0.48 0.00 0.00 55.95 56.01 2a4g s SER 66 Cb -0.32 0.23 2.20 0.00 0.10 0.00 0.00 66.02 68.23 2a4g s SER 66 CO 0.27 -0.78 2.32 1.55 0.98 0.00 0.00 173.24 177.57 2a4g h PRO 67 N 2.19 0.00 -0.44 4.02 0.13 -0.88 0.41 132.00 137.44 2a4g h PRO 67 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2a4g h PRO 67 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2a4g h PRO 67 CO 0.59 0.01 0.00 1.63 -0.23 0.00 0.00 178.00 180.00 2a4g n LYS 68 N -3.28 2.42 0.00 0.86 5.02 -1.26 -4.69 118.16 117.23 2a4g n LYS 68 Ca -0.03 -2.16 0.00 0.00 -2.02 0.00 0.00 58.31 54.10 2a4g n LYS 68 Cb 0.09 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 2a4g n LYS 68 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2a4g n GLY 69 N 1.47 -0.86 3.76 0.72 0.00 -0.40 -5.01 105.19 104.88 2a4g n GLY 69 Ca 0.20 -2.15 -0.38 0.00 0.00 0.00 0.00 46.02 43.69 2a4g n GLY 69 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2a4g s PRO 70 N 0.00 3.72 -0.13 1.61 0.02 -0.63 -1.32 135.00 138.27 2a4g s PRO 70 Ca 0.00 1.99 0.02 0.00 0.02 0.00 0.00 61.00 63.04 2a4g s PRO 70 Cb 0.00 -2.51 0.01 0.00 0.02 0.00 0.00 34.50 32.03 2a4g s PRO 70 CO 0.00 -0.65 -0.21 0.08 -0.33 0.00 0.00 177.00 175.90 2a4g s VAL 71 N -1.40 1.94 0.38 3.83 1.01 0.46 -4.89 120.40 121.74 2a4g s VAL 71 Ca 0.63 -0.91 -0.25 0.00 0.00 0.00 0.00 61.98 61.44 2a4g s VAL 71 Cb -0.34 -1.72 -0.09 0.00 0.00 0.00 0.00 36.38 34.23 2a4g s VAL 71 CO 0.42 0.53 1.09 -0.63 0.00 0.00 0.00 175.10 176.51 2a4g s ILE 72 N 0.83 3.50 0.42 2.22 1.01 -1.26 -0.62 121.20 127.30 2a4g s ILE 72 Ca -0.07 1.25 -0.26 0.00 0.00 0.00 0.00 60.65 61.56 2a4g s ILE 72 Cb -0.15 -3.69 -0.10 0.00 0.01 0.00 0.00 42.46 38.53 2a4g s ILE 72 CO -0.01 0.10 1.44 0.00 0.00 0.00 0.00 174.94 176.46 2a4g n GLN 73 N 0.21 2.38 0.06 2.79 6.02 -1.26 -4.74 117.38 122.84 2a4g n GLN 73 Ca 0.04 0.84 -0.22 0.00 -0.01 0.00 0.00 57.00 57.64 2a4g n GLN 73 Cb 0.48 -2.61 -0.15 0.00 1.02 0.00 0.00 30.24 28.98 2a4g n GLN 73 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 2a4g h MET 74 N 2.52 0.36 -5.43 -1.09 2.86 0.57 -3.47 114.93 111.25 2a4g h MET 74 Ca -0.50 -0.61 -0.48 0.00 -2.06 0.00 0.00 59.70 56.04 2a4g h MET 74 Cb 1.26 0.23 -0.27 0.00 0.06 0.00 0.00 31.60 32.88 2a4g h MET 74 CO 0.62 1.29 -0.81 0.71 1.06 0.00 0.00 176.91 179.78 2a4g s TYR 75 N -2.52 1.34 -0.12 -0.22 2.02 -0.75 -4.96 117.35 112.14 2a4g s TYR 75 Ca -0.15 -0.31 -0.05 0.00 -0.37 0.00 0.00 57.07 56.19 2a4g s TYR 75 Cb 0.04 -0.82 0.06 0.00 -0.40 0.00 0.00 41.96 40.84 2a4g s TYR 75 CO 0.84 0.02 0.25 0.99 -1.57 0.00 0.00 175.55 176.08 2a4g s THR 76 N -0.63 -0.32 -0.34 -0.71 2.01 -1.26 -0.69 115.64 113.69 2a4g s THR 76 Ca 0.04 0.26 0.00 0.00 0.31 0.00 0.00 61.69 62.30 2a4g s THR 76 Cb -0.07 -0.42 0.14 0.00 0.01 0.00 0.00 72.50 72.16 2a4g s THR 76 CO 0.01 0.11 0.25 0.21 -0.69 0.00 0.00 174.62 174.51 2a4g s ASN 77 N 2.14 2.43 0.43 3.53 3.84 0.34 -4.99 114.94 122.66 2a4g s ASN 77 Ca -0.01 -1.81 0.15 0.00 0.21 0.00 0.00 52.86 51.40 2a4g s ASN 77 Cb -0.12 -0.05 1.03 0.00 -0.55 0.00 0.00 41.25 41.56 2a4g s ASN 77 CO -0.08 -0.32 1.94 0.58 -2.79 0.00 0.00 177.10 176.43 2a4g h VAL 78 N 5.28 0.84 -0.23 -5.21 2.07 -1.95 0.54 116.25 117.59 2a4g h VAL 78 Ca 0.01 -0.15 -0.09 0.00 0.82 0.00 0.00 66.70 67.30 2a4g h VAL 78 Cb 1.01 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 2a4g h VAL 78 CO 0.27 0.08 -0.20 0.44 0.02 0.00 0.00 177.57 178.18 2a4g h ASP 79 N 0.43 0.57 1.39 0.57 3.32 -1.94 -2.82 116.42 117.94 2a4g h ASP 79 Ca 0.34 -0.46 0.00 0.00 0.02 0.00 0.00 57.03 56.92 2a4g h ASP 79 Cb 0.72 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.11 2a4g h ASP 79 CO -0.10 0.91 0.00 0.00 -1.72 0.00 0.00 179.24 178.33 2a4g n GLN 80 N -4.42 0.22 -3.23 3.56 1.13 -0.69 -4.92 117.38 109.04 2a4g n GLN 80 Ca -0.05 0.18 -0.17 0.00 -1.94 0.00 0.00 57.00 55.02 2a4g n GLN 80 Cb 0.40 -1.75 0.05 0.00 0.11 0.00 0.00 30.24 29.05 2a4g n GLN 80 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2a4g n ASP 81 N -2.13 -5.16 -4.28 1.08 2.03 0.18 -4.96 116.55 103.30 2a4g n ASP 81 Ca 0.06 -0.36 -0.22 0.00 0.52 0.00 0.00 54.79 54.78 2a4g n ASP 81 Cb 0.41 -3.79 -0.12 0.00 -0.72 0.00 0.00 41.12 36.90 2a4g n ASP 81 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2a4g s LEU 82 N -5.50 2.35 -0.01 -2.67 1.43 -0.69 -0.96 118.68 112.62 2a4g s LEU 82 Ca 0.40 -0.75 -0.07 0.00 -1.03 0.00 0.00 54.13 52.68 2a4g s LEU 82 Cb -0.18 -0.80 0.01 0.00 0.03 0.00 0.00 46.19 45.25 2a4g s LEU 82 CO 0.49 -0.00 0.16 0.68 0.23 0.00 0.00 176.35 177.91 2a4g s VAL 83 N -1.54 0.06 -0.05 -1.59 -7.23 -0.85 -0.50 120.40 108.70 2a4g s VAL 83 Ca 0.09 -0.52 -0.05 0.00 -1.81 0.00 0.00 61.98 59.68 2a4g s VAL 83 Cb -0.08 -0.40 0.01 0.00 0.56 0.00 0.00 36.38 36.47 2a4g s VAL 83 CO 0.05 -0.29 0.14 -0.83 -0.31 0.00 0.00 175.10 173.86 2a4g s GLY 84 N -1.05 -0.10 0.29 2.32 0.00 0.13 -1.70 107.32 107.21 2a4g s GLY 84 Ca -0.11 0.37 0.08 0.00 0.00 0.00 0.00 44.72 45.06 2a4g s GLY 84 CO 0.01 0.32 -0.09 -0.98 0.00 0.00 0.00 173.10 172.36 2a4g s TRP 85 N 0.04 2.07 0.37 1.90 0.51 -0.82 0.12 118.94 123.13 2a4g s TRP 85 Ca -0.00 -0.60 -0.28 0.00 -2.12 0.00 0.00 56.10 53.10 2a4g s TRP 85 Cb -0.01 -1.14 -0.10 0.00 -0.81 0.00 0.00 33.47 31.41 2a4g s TRP 85 CO 0.00 0.41 1.39 -2.14 -0.51 0.00 0.00 176.95 176.10 2a4g s PRO 86 N -3.67 4.15 0.31 4.98 0.02 -1.26 -0.49 135.00 139.05 2a4g s PRO 86 Ca 0.30 2.38 -0.30 0.00 0.02 0.00 0.00 61.00 63.40 2a4g s PRO 86 Cb 0.02 -2.96 -0.11 0.00 0.02 0.00 0.00 34.50 31.47 2a4g s PRO 86 CO 0.13 -0.42 1.59 0.00 -0.33 0.00 0.00 177.00 177.97 2a4g n ALA 87 N 0.50 2.60 -1.70 -1.55 0.00 -0.26 -4.45 120.51 115.65 2a4g n ALA 87 Ca 0.01 0.36 -0.40 0.00 0.00 0.00 0.00 53.44 53.41 2a4g n ALA 87 Cb 0.41 -2.47 0.02 0.00 0.00 0.00 0.00 19.45 17.41 2a4g n ALA 87 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2a4g n PRO 88 N 1.79 1.87 -1.82 0.00 -0.02 -1.26 -4.88 135.00 130.68 2a4g n PRO 88 Ca 0.07 0.67 -0.42 0.00 -2.02 0.00 0.00 63.50 61.80 2a4g n PRO 88 Cb 0.37 -2.40 -0.03 0.00 -0.02 0.00 0.00 33.50 31.42 2a4g n PRO 88 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2a4g s GLN 89 N -2.31 4.17 0.00 -0.52 -1.52 -1.26 -1.90 119.66 116.31 2a4g s GLN 89 Ca 0.63 2.46 0.00 0.00 -1.95 0.00 0.00 55.36 56.50 2a4g s GLN 89 Cb -0.49 -3.64 0.00 0.00 -0.22 0.00 0.00 33.01 28.66 2a4g s GLN 89 CO 0.57 -0.80 0.00 0.41 -0.25 0.00 0.00 175.29 175.22 2a4g n GLY 90 N 4.14 0.97 3.70 3.09 0.00 -1.26 -4.35 105.19 111.47 2a4g n GLY 90 Ca 0.17 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 2a4g n GLY 90 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2a4g s SER 91 N -0.68 3.29 -0.07 1.61 1.04 -0.80 -4.05 113.70 114.04 2a4g s SER 91 Ca 0.00 1.57 0.05 0.00 0.48 0.00 0.00 55.95 58.05 2a4g s SER 91 Cb 0.00 -2.24 -0.01 0.00 0.10 0.00 0.00 66.02 63.88 2a4g s SER 91 CO 0.00 -2.77 -0.25 -0.13 0.98 0.00 0.00 173.24 171.08 2a4g s ARG 92 N -4.87 2.74 0.07 4.02 1.81 0.43 -4.86 118.95 118.30 2a4g s ARG 92 Ca 0.64 -0.89 -0.09 0.00 -1.72 0.00 0.00 55.73 53.67 2a4g s ARG 92 Cb -0.19 -2.21 -0.06 0.00 -0.45 0.00 0.00 34.95 32.05 2a4g s ARG 92 CO 0.58 0.30 0.37 -1.12 -0.68 0.00 0.00 175.30 174.74 2a4g s SER 93 N 0.04 6.59 0.55 0.23 0.01 -1.26 -3.69 113.70 116.17 2a4g s SER 93 Ca -0.10 0.72 -0.04 0.00 1.31 0.00 0.00 55.95 57.85 2a4g s SER 93 Cb -0.15 -2.15 0.01 0.00 0.21 0.00 0.00 66.02 63.93 2a4g s SER 93 CO 0.06 0.18 0.82 -0.76 0.41 0.00 0.00 173.24 173.95 2a4g s LEU 94 N -1.94 3.35 0.07 2.44 1.43 0.10 -4.80 118.68 119.33 2a4g s LEU 94 Ca 0.32 0.53 0.09 0.00 -1.03 0.00 0.00 54.13 54.05 2a4g s LEU 94 Cb -0.14 -3.37 -0.03 0.00 0.03 0.00 0.00 46.19 42.68 2a4g s LEU 94 CO 0.18 -0.97 -0.25 0.42 0.23 0.00 0.00 176.35 175.96 2a4g s THR 95 N -2.85 2.28 0.66 5.49 -4.23 -1.26 -1.50 115.64 114.23 2a4g s THR 95 Ca 0.52 -1.45 -0.17 0.00 -1.18 0.00 0.00 61.69 59.41 2a4g s THR 95 Cb -0.10 -1.93 -0.01 0.00 1.34 0.00 0.00 72.50 71.80 2a4g s THR 95 CO 0.42 0.29 1.12 -2.65 -0.54 0.00 0.00 174.62 173.27 2a4g n PRO 96 N 1.52 0.85 -2.22 3.99 -0.02 -1.26 -0.19 135.00 137.66 2a4g n PRO 96 Ca -0.17 0.34 -0.42 0.00 -2.02 0.00 0.00 63.50 61.23 2a4g n PRO 96 Cb 0.52 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.62 2a4g n PRO 96 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2a4g h THR 98 N 4.78 0.00 -2.70 0.00 1.35 -1.91 -3.46 112.91 110.98 2a4g h THR 98 Ca -0.39 -0.06 -0.53 0.00 -0.55 0.00 0.00 66.41 64.88 2a4g h THR 98 Cb 1.19 0.00 0.04 0.00 -1.73 0.00 0.00 68.15 67.64 2a4g h THR 98 CO 0.89 0.00 0.98 0.00 -0.25 0.00 0.00 175.52 177.14 2a4g s GLY 100 N 1.92 0.79 0.31 0.00 0.00 -1.26 -4.95 107.32 104.12 2a4g s GLY 100 Ca 0.74 -2.20 -0.28 0.00 0.00 0.00 0.00 44.72 42.99 2a4g s GLY 100 CO 0.33 3.13 1.01 -0.56 0.00 0.00 0.00 173.10 177.01 2a4g s SER 101 N 5.98 7.28 -0.05 1.64 0.01 -1.26 -4.97 113.70 122.33 2a4g s SER 101 Ca 0.60 2.03 0.14 0.00 1.31 0.00 0.00 55.95 60.03 2a4g s SER 101 Cb -0.01 -2.60 -0.22 0.00 0.21 0.00 0.00 66.02 63.40 2a4g s SER 101 CO 0.03 -0.12 0.61 -1.54 0.41 0.00 0.00 173.24 172.63 2a4g n SER 102 N 0.84 0.75 -4.52 2.44 3.41 -1.26 -4.79 113.62 110.49 2a4g n SER 102 Ca 0.01 0.35 -0.41 0.00 -0.26 0.00 0.00 58.87 58.57 2a4g n SER 102 Cb 0.48 0.12 -0.10 0.00 -0.26 0.00 0.00 64.21 64.45 2a4g n SER 102 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2a4g s ASP 103 N -5.95 6.07 0.37 4.04 2.15 -1.26 -0.86 116.67 121.23 2a4g s ASP 103 Ca -0.05 -0.46 0.08 0.00 0.43 0.00 0.00 52.55 52.55 2a4g s ASP 103 Cb 0.08 -2.14 -0.04 0.00 -0.30 0.00 0.00 42.92 40.52 2a4g s ASP 103 CO 0.82 -0.25 0.23 -0.76 -0.17 0.00 0.00 175.17 175.04 2a4g s LEU 104 N 1.72 3.31 -0.07 -1.34 1.43 -0.27 -4.25 118.68 119.22 2a4g s LEU 104 Ca 0.06 -0.79 -0.02 0.00 -1.03 0.00 0.00 54.13 52.35 2a4g s LEU 104 Cb -0.18 -1.82 0.03 0.00 0.03 0.00 0.00 46.19 44.26 2a4g s LEU 104 CO 0.11 -0.44 0.02 -0.31 0.23 0.00 0.00 176.35 175.95 2a4g s TYR 105 N -2.46 0.52 -0.08 0.29 2.02 0.78 -0.13 117.35 118.30 2a4g s TYR 105 Ca 0.41 -0.10 -0.20 0.00 -0.37 0.00 0.00 57.07 56.81 2a4g s TYR 105 Cb -0.02 -0.73 -0.04 0.00 -0.40 0.00 0.00 41.96 40.77 2a4g s TYR 105 CO 0.24 -0.31 0.56 -1.17 -1.57 0.00 0.00 175.55 173.30 2a4g s LEU 106 N 2.02 4.32 -0.26 -1.29 2.96 0.39 -0.01 118.68 126.81 2a4g s LEU 106 Ca 0.05 0.98 -0.10 0.00 -0.22 0.00 0.00 54.13 54.84 2a4g s LEU 106 Cb -0.13 -2.84 -0.05 0.00 0.50 0.00 0.00 46.19 43.68 2a4g s LEU 106 CO -0.05 -0.00 0.17 -0.69 -1.32 0.00 0.00 176.35 174.46 2a4g s VAL 107 N 0.47 5.23 0.58 1.68 1.01 -0.92 -0.52 120.40 127.93 2a4g s VAL 107 Ca 0.30 0.14 -0.02 0.00 0.00 0.00 0.00 61.98 62.40 2a4g s VAL 107 Cb -0.16 -3.47 0.03 0.00 0.00 0.00 0.00 36.38 32.77 2a4g s VAL 107 CO 0.14 0.29 0.84 0.42 0.00 0.00 0.00 175.10 176.79 2a4g s THR 108 N 1.50 3.03 -0.92 3.92 -4.23 -0.15 -4.43 115.64 114.36 2a4g s THR 108 Ca 0.07 -0.39 0.08 0.00 -1.18 0.00 0.00 61.69 60.26 2a4g s THR 108 Cb -0.15 -3.19 0.07 0.00 1.34 0.00 0.00 72.50 70.57 2a4g s THR 108 CO 0.08 -0.16 1.24 -2.11 -0.54 0.00 0.00 174.62 173.13 2a4g n ARG 109 N -2.49 0.02 -0.18 3.99 1.85 -1.26 -0.18 116.66 118.40 2a4g n ARG 109 Ca 0.06 0.42 0.11 0.00 -1.00 0.00 0.00 57.85 57.44 2a4g n ARG 109 Cb 0.59 -1.55 0.26 0.00 -1.05 0.00 0.00 32.46 30.72 2a4g n ARG 109 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2a4g n HIS 110 N -1.58 0.48 -2.69 2.89 8.25 -1.26 -4.94 115.22 116.37 2a4g n HIS 110 Ca 0.01 -0.24 -0.15 0.00 -0.26 0.00 0.00 57.72 57.08 2a4g n HIS 110 Cb 0.07 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.20 2a4g n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2a4g n ALA 111 N 1.14 -0.62 -2.78 -1.41 0.00 0.75 -4.74 120.51 112.84 2a4g n ALA 111 Ca 0.19 0.19 -0.36 0.00 0.00 0.00 0.00 53.44 53.45 2a4g n ALA 111 Cb 0.51 -2.64 -0.08 0.00 0.00 0.00 0.00 19.45 17.24 2a4g n ALA 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2a4g s ASP 112 N -2.71 5.76 -0.31 0.00 1.01 -1.25 -4.38 116.67 114.79 2a4g s ASP 112 Ca 0.17 0.27 -0.07 0.00 0.71 0.00 0.00 52.55 53.63 2a4g s ASP 112 Cb -0.08 -1.78 0.02 0.00 1.01 0.00 0.00 42.92 42.09 2a4g s ASP 112 CO 0.21 0.37 0.09 0.68 0.21 0.00 0.00 175.17 176.72 2a4g s VAL 113 N -0.79 3.93 -0.16 -1.27 -7.23 -1.26 -0.97 120.40 112.64 2a4g s VAL 113 Ca 0.13 -0.80 -0.05 0.00 -1.81 0.00 0.00 61.98 59.45 2a4g s VAL 113 Cb -0.12 -3.07 -0.03 0.00 0.56 0.00 0.00 36.38 33.72 2a4g s VAL 113 CO 0.03 0.02 -0.00 0.27 -0.31 0.00 0.00 175.10 175.10 2a4g s ILE 114 N 1.48 4.23 0.31 -0.62 -4.36 0.33 -4.90 121.20 117.66 2a4g s ILE 114 Ca 0.02 -0.24 -0.29 0.00 -0.26 0.00 0.00 60.65 59.88 2a4g s ILE 114 Cb -0.18 -2.87 -0.09 0.00 1.25 0.00 0.00 42.46 40.57 2a4g s ILE 114 CO 0.03 0.49 1.12 -2.16 0.24 0.00 0.00 174.94 174.65 2a4g s PRO 115 N 0.32 4.52 0.00 0.37 0.04 -1.26 -0.46 135.00 138.53 2a4g s PRO 115 Ca -0.01 1.83 0.03 0.00 0.04 0.00 0.00 61.00 62.89 2a4g s PRO 115 Cb -0.13 -3.08 -0.01 0.00 0.04 0.00 0.00 34.50 31.32 2a4g s PRO 115 CO 0.02 0.10 -0.11 0.14 0.04 0.00 0.00 177.00 177.19 2a4g s VAL 116 N -1.22 0.83 -0.31 -0.36 -7.23 0.82 -2.65 120.40 110.29 2a4g s VAL 116 Ca 0.47 -0.54 -0.15 0.00 -1.81 0.00 0.00 61.98 59.95 2a4g s VAL 116 Cb -0.32 -0.71 -0.03 0.00 0.56 0.00 0.00 36.38 35.88 2a4g s VAL 116 CO 0.41 0.17 0.35 -0.60 -0.31 0.00 0.00 175.10 175.12 2a4g s ARG 117 N -0.43 3.80 0.22 4.82 3.00 0.47 -1.11 118.95 129.72 2a4g s ARG 117 Ca 0.03 -0.21 -0.31 0.00 -1.00 0.00 0.00 55.73 54.23 2a4g s ARG 117 Cb -0.05 -3.73 -0.11 0.00 0.00 0.00 0.00 34.95 31.06 2a4g s ARG 117 CO -0.00 -0.39 1.65 0.50 0.00 0.00 0.00 175.30 177.06 2a4g s ARG 118 N 2.02 4.15 -0.05 5.12 3.52 -0.04 -0.05 118.95 133.62 2a4g s ARG 118 Ca 0.13 2.54 0.07 0.00 -0.13 0.00 0.00 55.73 58.34 2a4g s ARG 118 Cb -0.16 -3.08 0.11 0.00 -1.56 0.00 0.00 34.95 30.26 2a4g s ARG 118 CO 0.11 -0.68 0.98 0.54 -0.81 0.00 0.00 175.30 175.44 2a4g n ARG 119 N 3.45 1.14 0.00 5.12 5.12 0.48 -4.88 116.66 127.09 2a4g n ARG 119 Ca 0.13 -1.62 0.00 0.00 -1.93 0.00 0.00 57.85 54.44 2a4g n ARG 119 Cb 0.37 -0.98 0.00 0.00 -1.16 0.00 0.00 32.46 30.69 2a4g n ARG 119 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2a4g n GLY 120 N -0.64 1.00 0.00 -0.13 0.00 -1.04 -4.82 105.19 99.56 2a4g n GLY 120 Ca 0.06 -0.98 0.09 0.00 0.00 0.00 0.00 46.02 45.18 2a4g n GLY 120 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2a4g n ASP 121 N 0.00 0.00 0.00 1.61 5.75 -1.26 -3.04 116.55 119.61 2a4g n ASP 121 Ca 0.00 0.47 0.00 0.00 -0.01 0.00 0.00 54.79 55.25 2a4g n ASP 121 Cb 0.00 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 39.60 2a4g n ASP 121 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2a4g n SER 122 N -1.49 0.90 -3.91 -1.12 7.64 -1.26 -4.35 113.62 110.04 2a4g n SER 122 Ca 0.05 -1.42 -0.09 0.00 1.01 0.00 0.00 58.87 58.41 2a4g n SER 122 Cb 0.21 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.32 2a4g n SER 122 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2a4g s ARG 123 N -0.42 0.64 -0.10 1.43 3.52 -1.17 -0.72 118.95 122.12 2a4g s ARG 123 Ca 0.00 -0.77 -0.27 0.00 -0.13 0.00 0.00 55.73 54.56 2a4g s ARG 123 Cb 0.00 0.25 0.06 0.00 -1.56 0.00 0.00 34.95 33.71 2a4g s ARG 123 CO 0.00 -0.17 0.63 0.20 -0.81 0.00 0.00 175.30 175.15 2a4g s GLY 124 N -2.23 -0.51 -0.13 8.12 0.00 -0.85 -0.39 107.32 111.34 2a4g s GLY 124 Ca -0.03 1.35 -0.10 0.00 0.00 0.00 0.00 44.72 45.94 2a4g s GLY 124 CO -0.05 1.04 0.21 -1.35 0.00 0.00 0.00 173.10 172.95 2a4g s SER 125 N -0.78 6.43 0.01 1.64 1.04 0.93 -0.65 113.70 122.32 2a4g s SER 125 Ca -0.08 0.51 -0.30 0.00 0.48 0.00 0.00 55.95 56.55 2a4g s SER 125 Cb -0.02 -2.13 -0.07 0.00 0.10 0.00 0.00 66.02 63.91 2a4g s SER 125 CO 0.07 0.29 1.61 -0.76 0.98 0.00 0.00 173.24 175.43 2a4g s LEU 126 N -0.45 4.34 0.47 2.42 1.43 0.30 -0.40 118.68 126.79 2a4g s LEU 126 Ca 0.15 2.32 0.18 0.00 -1.03 0.00 0.00 54.13 55.76 2a4g s LEU 126 Cb -0.13 -3.55 1.14 0.00 0.03 0.00 0.00 46.19 43.68 2a4g s LEU 126 CO 0.04 -0.88 2.02 -0.07 0.23 0.00 0.00 176.35 177.70 2a4g h LEU 127 N 9.21 0.00 -7.33 1.79 3.38 -1.81 -3.36 115.31 117.19 2a4g h LEU 127 Ca -0.41 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 56.98 2a4g h LEU 127 Cb 1.19 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.54 2a4g h LEU 127 CO 0.93 0.16 -0.76 -0.55 0.09 0.00 0.00 178.44 178.32 2a4g s SER 128 N -6.77 3.86 0.49 -0.43 0.15 -1.26 -5.12 113.70 104.62 2a4g s SER 128 Ca -0.04 -1.45 -0.23 0.00 0.70 0.00 0.00 55.95 54.93 2a4g s SER 128 Cb 0.15 -0.96 -0.07 0.00 -1.71 0.00 0.00 66.02 63.43 2a4g s SER 128 CO 0.66 -0.35 1.27 -2.65 1.20 0.00 0.00 173.24 173.37 2a4g n PRO 129 N 4.79 1.73 -4.19 5.44 -0.02 -1.26 -5.04 135.00 136.45 2a4g n PRO 129 Ca -0.05 0.63 -0.13 0.00 -2.02 0.00 0.00 63.50 61.93 2a4g n PRO 129 Cb 0.43 -2.43 -0.10 0.00 -0.02 0.00 0.00 33.50 31.38 2a4g n PRO 129 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2a4g s ARG 130 N -2.53 0.90 0.63 -0.52 1.81 -1.11 -4.99 118.95 113.14 2a4g s ARG 130 Ca 0.67 -1.31 -0.18 0.00 -1.72 0.00 0.00 55.73 53.18 2a4g s ARG 130 Cb -0.46 -0.43 -0.02 0.00 -0.45 0.00 0.00 34.95 33.59 2a4g s ARG 130 CO 0.53 0.04 1.26 -2.14 -0.68 0.00 0.00 175.30 174.32 2a4g s PRO 131 N -3.46 2.71 0.57 3.54 0.02 -1.26 -0.88 135.00 136.23 2a4g s PRO 131 Ca 0.11 1.98 0.27 0.00 0.02 0.00 0.00 61.00 63.38 2a4g s PRO 131 Cb 0.02 -1.88 1.68 0.00 0.02 0.00 0.00 34.50 34.35 2a4g s PRO 131 CO -0.02 -1.46 2.22 0.97 -0.33 0.00 0.00 177.00 178.39 2a4g h ILE 132 N 0.67 0.63 -0.12 2.83 6.09 -1.23 -1.18 117.51 125.20 2a4g h ILE 132 Ca -0.51 -0.05 -0.08 0.00 -1.37 0.00 0.00 64.86 62.85 2a4g h ILE 132 Cb 1.32 1.03 -0.01 0.00 0.47 0.00 0.00 36.82 39.63 2a4g h ILE 132 CO 0.54 0.01 -0.27 0.77 -3.07 0.00 0.00 178.15 176.13 2a4g h SER 133 N 0.00 0.21 -0.40 2.19 4.64 -1.90 -2.55 113.55 115.74 2a4g h SER 133 Ca -0.00 -0.06 -0.05 0.00 -0.47 0.00 0.00 61.79 61.20 2a4g h SER 133 Cb 0.03 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.04 2a4g h SER 133 CO 0.00 0.48 0.07 0.22 -0.87 0.00 0.00 176.83 176.73 2a4g h TYR 134 N 0.19 0.77 0.00 4.77 3.20 -1.56 -2.80 116.97 121.53 2a4g h TYR 134 Ca 0.03 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.82 2a4g h TYR 134 Cb 0.59 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.64 2a4g h TYR 134 CO 0.01 0.68 -0.22 1.28 -1.64 0.00 0.00 178.16 178.27 2a4g n LEU 135 N -4.26 0.70 -4.76 2.82 4.32 -0.99 -4.88 117.00 109.94 2a4g n LEU 135 Ca 0.03 0.44 -0.41 0.00 -0.02 0.00 0.00 56.01 56.04 2a4g n LEU 135 Cb 0.25 -0.29 -0.01 0.00 -1.62 0.00 0.00 43.42 41.75 2a4g n LEU 135 CO 0.40 -0.11 1.20 -0.54 -1.22 0.00 0.00 177.39 177.12 2a4g s LYS 136 N -3.11 4.13 0.00 3.23 -0.14 -1.02 -2.02 119.74 120.81 2a4g s LYS 136 Ca 0.10 2.55 0.00 0.00 -1.36 0.00 0.00 55.97 57.26 2a4g s LYS 136 Cb 0.13 -3.01 0.00 0.00 -1.68 0.00 0.00 37.83 33.27 2a4g s LYS 136 CO 0.63 -0.58 0.00 0.41 -0.76 0.00 0.00 175.35 175.05 2a4g n GLY 137 N 1.66 1.05 1.18 -3.33 0.00 -1.26 -4.91 105.19 99.58 2a4g n GLY 137 Ca 0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.19 2a4g n GLY 137 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2a4g n SER 138 N 0.00 3.55 -4.73 1.61 7.64 -0.86 -3.59 113.62 117.25 2a4g n SER 138 Ca 0.00 -1.99 -0.42 0.00 1.01 0.00 0.00 58.87 57.48 2a4g n SER 138 Cb 0.00 -0.30 -0.03 0.00 -1.01 0.00 0.00 64.21 62.87 2a4g n SER 138 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2a4g s SER 139 N -1.35 6.64 0.00 6.43 0.01 -1.26 -1.45 113.70 122.71 2a4g s SER 139 Ca 0.40 2.62 0.00 0.00 1.31 0.00 0.00 55.95 60.28 2a4g s SER 139 Cb 0.23 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.85 2a4g s SER 139 CO 0.31 -0.75 0.00 0.61 0.41 0.00 0.00 173.24 173.82 2a4g n GLY 140 N 2.97 0.10 3.81 3.44 0.00 0.41 -1.32 105.19 114.61 2a4g n GLY 140 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 2a4g n GLY 140 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2a4g s GLY 141 N -2.02 1.81 0.40 -0.02 0.00 -0.53 -3.45 107.32 103.51 2a4g s GLY 141 Ca 0.00 0.21 -0.16 0.00 0.00 0.00 0.00 44.72 44.77 2a4g s GLY 141 CO 0.00 0.53 0.84 2.56 0.00 0.00 0.00 173.10 177.03 2a4g s PRO 142 N -4.73 4.01 -0.26 2.90 0.04 -1.26 -0.17 135.00 135.53 2a4g s PRO 142 Ca 0.60 0.80 -0.02 0.00 0.04 0.00 0.00 61.00 62.42 2a4g s PRO 142 Cb -0.15 -2.31 0.03 0.00 0.04 0.00 0.00 34.50 32.11 2a4g s PRO 142 CO 0.50 -0.00 -0.05 -0.51 0.04 0.00 0.00 177.00 176.98 2a4g s LEU 143 N -3.39 3.32 0.07 -3.56 1.02 0.90 -2.17 118.68 114.86 2a4g s LEU 143 Ca 0.56 -0.93 0.01 0.00 0.02 0.00 0.00 54.13 53.80 2a4g s LEU 143 Cb -0.10 -1.68 -0.04 0.00 0.02 0.00 0.00 46.19 44.39 2a4g s LEU 143 CO 0.21 -0.15 0.16 -0.76 0.02 0.00 0.00 176.35 175.83 2a4g s LEU 144 N 1.32 4.13 0.62 1.79 1.02 0.99 -0.12 118.68 128.43 2a4g s LEU 144 Ca -0.01 0.15 -0.03 0.00 0.02 0.00 0.00 54.13 54.27 2a4g s LEU 144 Cb -0.17 -2.76 0.05 0.00 0.02 0.00 0.00 46.19 43.32 2a4g s LEU 144 CO -0.04 0.17 0.89 0.00 0.02 0.00 0.00 176.35 177.39 2a4g h PRO 146 N -0.25 0.12 0.00 0.00 0.11 -1.91 0.33 132.00 130.40 2a4g h PRO 146 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2a4g h PRO 146 Cb 1.30 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2a4g h PRO 146 CO 0.56 0.08 0.00 0.00 -0.21 0.00 0.00 178.00 178.43 2a4g n ALA 147 N -2.64 2.48 -1.26 -0.75 0.00 -1.26 -4.80 120.51 112.29 2a4g n ALA 147 Ca 0.17 -0.16 -0.02 0.00 0.00 0.00 0.00 53.44 53.43 2a4g n ALA 147 Cb 0.82 -1.44 -0.01 0.00 0.00 0.00 0.00 19.45 18.82 2a4g n ALA 147 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a4g n GLY 148 N 0.72 0.47 3.91 0.00 0.00 0.12 -5.04 105.19 105.36 2a4g n GLY 148 Ca 0.19 -0.97 -0.31 0.00 0.00 0.00 0.00 46.02 44.94 2a4g n GLY 148 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2a4g s HIS 149 N -2.07 3.48 -0.24 1.61 3.76 -1.25 -4.74 115.29 115.84 2a4g s HIS 149 Ca 0.00 0.49 -0.29 0.00 -0.15 0.00 0.00 55.06 55.11 2a4g s HIS 149 Cb 0.00 -1.95 -0.00 0.00 1.11 0.00 0.00 32.58 31.73 2a4g s HIS 149 CO 0.00 0.44 1.23 0.00 -0.85 0.00 0.00 174.74 175.56 2a4g s ALA 150 N -1.69 3.54 -0.16 -1.40 0.00 0.74 -1.47 121.76 121.32 2a4g s ALA 150 Ca 0.40 0.24 0.12 0.00 0.00 0.00 0.00 51.96 52.72 2a4g s ALA 150 Cb -0.12 -3.67 -0.23 0.00 0.00 0.00 0.00 23.12 19.09 2a4g s ALA 150 CO 0.26 -1.41 0.19 0.28 0.00 0.00 0.00 175.76 175.08 2a4g n VAL 151 N 5.72 1.49 -3.97 0.00 0.31 0.83 -0.75 118.33 121.96 2a4g n VAL 151 Ca 0.14 -0.78 0.01 0.00 -0.01 0.00 0.00 64.34 63.69 2a4g n VAL 151 Cb 0.46 -0.85 0.02 0.00 -0.91 0.00 0.00 33.84 32.56 2a4g n VAL 151 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2a4g n GLY 152 N 1.80 0.35 3.22 2.92 0.00 -1.13 0.10 105.19 112.45 2a4g n GLY 152 Ca -0.31 -1.09 -0.32 0.00 0.00 0.00 0.00 46.02 44.30 2a4g n GLY 152 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a4g s LEU 153 N 0.00 2.10 0.17 0.99 1.02 -0.66 -0.07 118.68 122.23 2a4g s LEU 153 Ca 0.28 -0.56 -0.33 0.00 0.02 0.00 0.00 54.13 53.54 2a4g s LEU 153 Cb -0.02 -1.41 -0.13 0.00 0.02 0.00 0.00 46.19 44.65 2a4g s LEU 153 CO 0.02 0.16 1.67 0.33 0.02 0.00 0.00 176.35 178.54 2a4g n PHE 154 N 3.53 2.49 0.02 0.29 7.35 0.76 -1.34 117.46 130.56 2a4g n PHE 154 Ca -0.19 0.13 -0.01 0.00 -0.76 0.00 0.00 57.45 56.62 2a4g n PHE 154 Cb 0.53 -2.61 -0.00 0.00 0.35 0.00 0.00 39.48 37.74 2a4g n PHE 154 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 2a4g n ARG 155 N 3.93 0.04 -4.04 -4.13 0.63 -0.17 -0.44 116.66 112.49 2a4g n ARG 155 Ca 0.17 0.02 -0.08 0.00 -0.92 0.00 0.00 57.85 57.04 2a4g n ARG 155 Cb 0.32 -0.57 -0.10 0.00 0.45 0.00 0.00 32.46 32.56 2a4g n ARG 155 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2a4g s ALA 156 N -2.06 0.32 -0.08 5.13 0.00 -0.47 -4.89 121.76 119.72 2a4g s ALA 156 Ca -0.02 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.02 2a4g s ALA 156 Cb 0.01 0.23 -0.02 0.00 0.00 0.00 0.00 23.12 23.34 2a4g s ALA 156 CO 0.03 -0.30 -0.14 0.00 0.00 0.00 0.00 175.76 175.35 2a4g s ALA 157 N -3.02 2.64 -0.96 0.00 0.00 -1.26 0.66 121.76 119.81 2a4g s ALA 157 Ca -0.01 -0.95 -0.20 0.00 0.00 0.00 0.00 51.96 50.80 2a4g s ALA 157 Cb 0.01 -1.05 0.11 0.00 0.00 0.00 0.00 23.12 22.19 2a4g s ALA 157 CO -0.07 0.44 1.23 0.08 0.00 0.00 0.00 175.76 177.44 2a4g s VAL 158 N -0.32 4.49 0.23 0.00 1.01 0.89 -4.95 120.40 121.76 2a4g s VAL 158 Ca 0.03 -1.36 -0.03 0.00 0.00 0.00 0.00 61.98 60.62 2a4g s VAL 158 Cb -0.13 -4.87 -0.05 0.00 0.00 0.00 0.00 36.38 31.34 2a4g s VAL 158 CO 0.02 -1.64 0.45 0.00 0.00 0.00 0.00 175.10 173.94 2a4g s THR 160 N -1.92 -0.34 -1.71 0.00 2.01 0.60 -4.88 115.64 109.41 2a4g s THR 160 Ca 0.41 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.44 2a4g s THR 160 Cb -0.11 -0.90 0.00 0.00 0.01 0.00 0.00 72.50 71.50 2a4g s THR 160 CO 0.29 0.01 0.00 0.54 -0.69 0.00 0.00 174.62 174.77 2a4g n ARG 161 N 4.72 -1.54 -0.53 4.92 5.12 -1.26 -0.12 116.66 127.98 2a4g n ARG 161 Ca -0.17 0.96 0.00 0.00 -1.93 0.00 0.00 57.85 56.70 2a4g n ARG 161 Cb 0.55 -5.37 0.00 0.00 -1.16 0.00 0.00 32.46 26.48 2a4g n ARG 161 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2a4g n GLY 162 N -0.50 0.75 3.28 -0.13 0.00 -1.26 -5.05 105.19 102.28 2a4g n GLY 162 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 2a4g n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a4g s VAL 163 N -2.53 2.52 -0.14 1.61 1.01 0.83 -0.70 120.40 122.99 2a4g s VAL 163 Ca 0.00 -0.85 -0.20 0.00 0.00 0.00 0.00 61.98 60.93 2a4g s VAL 163 Cb 0.00 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 2a4g s VAL 163 CO 0.00 0.54 0.58 0.00 0.00 0.00 0.00 175.10 176.22 2a4g s ALA 164 N 0.47 3.48 -0.09 5.51 0.00 -0.06 -0.29 121.76 130.78 2a4g s ALA 164 Ca -0.13 -0.18 0.05 0.00 0.00 0.00 0.00 51.96 51.70 2a4g s ALA 164 Cb -0.17 -2.84 -0.06 0.00 0.00 0.00 0.00 23.12 20.05 2a4g s ALA 164 CO 0.05 -0.27 0.14 0.36 0.00 0.00 0.00 175.76 176.04 2a4g n LYS 165 N 4.30 2.26 -3.91 0.00 0.00 -0.63 -2.74 118.16 117.44 2a4g n LYS 165 Ca -0.04 -0.03 -0.09 0.00 -0.00 0.00 0.00 58.31 58.16 2a4g n LYS 165 Cb 0.51 -0.95 -0.07 0.00 -0.00 0.00 0.00 35.03 34.51 2a4g n LYS 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2a4g s ALA 166 N -1.97 -0.07 0.04 0.58 0.00 -1.22 -0.54 121.76 118.58 2a4g s ALA 166 Ca -0.00 -0.76 0.04 0.00 0.00 0.00 0.00 51.96 51.23 2a4g s ALA 166 Cb 0.03 0.60 -0.02 0.00 0.00 0.00 0.00 23.12 23.73 2a4g s ALA 166 CO 0.19 -0.54 -0.11 0.14 0.00 0.00 0.00 175.76 175.44 2a4g s VAL 167 N -3.90 0.84 -0.15 0.00 -7.23 0.17 -0.07 120.40 110.06 2a4g s VAL 167 Ca 0.09 -0.94 -0.04 0.00 -1.81 0.00 0.00 61.98 59.29 2a4g s VAL 167 Cb 0.05 -0.80 -0.03 0.00 0.56 0.00 0.00 36.38 36.16 2a4g s VAL 167 CO -0.07 -0.11 -0.02 -0.62 -0.31 0.00 0.00 175.10 173.96 2a4g s ASP 168 N -1.17 4.92 0.16 4.85 2.15 0.21 -2.01 116.67 125.78 2a4g s ASP 168 Ca -0.02 -0.08 0.04 0.00 0.43 0.00 0.00 52.55 52.92 2a4g s ASP 168 Cb -0.08 -1.77 -0.05 0.00 -0.30 0.00 0.00 42.92 40.73 2a4g s ASP 168 CO 0.01 0.19 -0.08 0.72 -0.17 0.00 0.00 175.17 175.83 2a4g s PHE 169 N 0.25 1.33 -0.55 -5.34 -0.12 0.10 -1.00 117.98 112.65 2a4g s PHE 169 Ca -0.02 -0.78 -0.20 0.00 -0.05 0.00 0.00 56.93 55.88 2a4g s PHE 169 Cb -0.14 -0.70 0.07 0.00 -0.63 0.00 0.00 43.02 41.63 2a4g s PHE 169 CO 0.03 0.07 0.70 0.42 -0.05 0.00 0.00 175.22 176.38 2a4g s ILE 170 N -3.33 4.78 0.52 -4.49 1.01 -0.45 -4.62 121.20 114.61 2a4g s ILE 170 Ca 0.19 -0.58 -0.22 0.00 0.00 0.00 0.00 60.65 60.04 2a4g s ILE 170 Cb 0.03 -4.41 -0.07 0.00 0.01 0.00 0.00 42.46 38.03 2a4g s ILE 170 CO 0.02 -0.98 1.19 -0.81 0.00 0.00 0.00 174.94 174.36 2a4g n PRO 171 N 6.44 1.48 0.09 2.79 -0.04 -1.26 -1.65 135.00 142.86 2a4g n PRO 171 Ca -0.07 0.54 0.05 0.00 -0.04 0.00 0.00 63.50 63.99 2a4g n PRO 171 Cb 0.45 -2.36 0.25 0.00 -0.04 0.00 0.00 33.50 31.79 2a4g n PRO 171 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2a4g n VAL 172 N -0.99 1.14 0.06 0.52 3.14 0.12 -1.39 118.33 120.93 2a4g n VAL 172 Ca 0.10 0.63 -0.12 0.00 -2.96 0.00 0.00 64.34 62.00 2a4g n VAL 172 Cb 0.44 -1.63 -0.02 0.00 -1.06 0.00 0.00 33.84 31.57 2a4g n VAL 172 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 2a4g h GLU 173 N 0.00 0.39 0.00 1.45 3.07 -1.88 -2.98 114.58 114.62 2a4g h GLU 173 Ca 0.00 -0.38 -0.00 0.00 -0.50 0.00 0.00 59.36 58.48 2a4g h GLU 173 Cb 0.28 0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.29 2a4g h GLU 173 CO 0.00 1.04 -0.01 -0.91 -1.40 0.00 0.00 179.01 177.73 2a4g h ASN 174 N 0.23 0.00 0.09 1.42 4.21 -1.58 -1.60 115.58 118.36 2a4g h ASN 174 Ca -0.06 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.45 2a4g h ASN 174 Cb 1.47 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.67 2a4g h ASN 174 CO 0.15 0.01 -0.04 -0.07 -1.29 0.00 0.00 177.43 176.19 2a4g h LEU 175 N 0.00 -0.10 -0.76 1.61 4.07 -1.67 -0.10 115.31 118.36 2a4g h LEU 175 Ca -0.00 -0.26 -0.01 0.00 0.08 0.00 0.00 57.88 57.69 2a4g h LEU 175 Cb 0.06 0.03 -0.04 0.00 1.08 0.00 0.00 40.66 41.79 2a4g h LEU 175 CO 0.00 0.21 0.44 -0.33 -1.08 0.00 0.00 178.44 177.68 2a4g h GLU 176 N -0.42 1.05 -0.81 1.13 4.39 -1.41 0.16 114.58 118.67 2a4g h GLU 176 Ca -0.01 -0.11 -0.02 0.00 0.34 0.00 0.00 59.36 59.56 2a4g h GLU 176 Cb 0.35 -0.21 -0.04 0.00 -0.10 0.00 0.00 28.75 28.75 2a4g h GLU 176 CO 0.02 0.76 0.41 1.15 -1.16 0.00 0.00 179.01 180.19 2a4g h THR 177 N 1.05 1.24 -0.31 1.13 2.02 -1.34 0.18 112.91 116.89 2a4g h THR 177 Ca 0.27 -0.65 -0.11 0.00 0.77 0.00 0.00 66.41 66.69 2a4g h THR 177 Cb -0.01 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.57 2a4g h THR 177 CO -0.05 0.28 -0.28 0.74 0.37 0.00 0.00 175.52 176.58 2a4g h THR 178 N 1.14 1.28 -0.01 3.16 2.02 -0.07 -0.78 112.91 119.64 2a4g h THR 178 Ca 0.28 -1.39 -0.18 0.00 0.77 0.00 0.00 66.41 65.89 2a4g h THR 178 Cb 0.07 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 2a4g h THR 178 CO -0.04 0.45 -0.80 0.24 0.37 0.00 0.00 175.52 175.74 2a4g h MET 179 N 0.54 0.18 -0.14 6.66 2.07 -0.46 -3.22 114.93 120.57 2a4g h MET 179 Ca 0.07 -0.18 -0.16 0.00 -2.07 0.00 0.00 59.70 57.36 2a4g h MET 179 Cb 0.77 0.05 -0.01 0.00 -1.87 0.00 0.00 31.60 30.54 2a4g h MET 179 CO 0.06 0.89 -0.60 -0.09 1.07 0.00 0.00 176.91 178.23 2a4g h ARG 180 N 0.11 0.46 0.00 1.72 2.43 -0.44 -3.51 114.38 115.16 2a4g h ARG 180 Ca -0.03 -0.31 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 2a4g h ARG 180 Cb 1.39 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.99 2a4g h ARG 180 CO 0.12 0.93 0.00 -1.13 -1.51 0.00 0.00 179.97 178.38