#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a4r s PRO 2 N 0.00 3.64 -0.20 0.00 0.04 -1.26 -5.02 135.00 132.21 2a4r s PRO 2 Ca 0.00 0.52 -0.29 0.00 0.04 0.00 0.00 61.00 61.27 2a4r s PRO 2 Cb 0.00 -2.25 -0.01 0.00 0.04 0.00 0.00 34.50 32.28 2a4r s PRO 2 CO 0.00 -0.32 1.31 0.42 0.04 0.00 0.00 177.00 178.46 2a4r s ILE 3 N -2.83 4.18 0.09 0.56 1.01 -1.26 -5.00 121.20 117.94 2a4r s ILE 3 Ca 0.52 1.40 0.05 0.00 0.00 0.00 0.00 60.65 62.62 2a4r s ILE 3 Cb -0.11 -3.99 -0.03 0.00 0.01 0.00 0.00 42.46 38.34 2a4r s ILE 3 CO 0.45 -0.22 -0.14 0.42 0.00 0.00 0.00 174.94 175.44 2a4r s THR 4 N 3.84 1.17 0.01 2.92 -4.23 -1.26 -4.95 115.64 113.14 2a4r s THR 4 Ca 0.57 -1.43 -0.11 0.00 -1.18 0.00 0.00 61.69 59.54 2a4r s THR 4 Cb -0.21 -1.21 0.01 0.00 1.34 0.00 0.00 72.50 72.43 2a4r s THR 4 CO 0.18 -0.28 0.23 0.00 -0.54 0.00 0.00 174.62 174.21 2a4r s ALA 5 N -1.53 -0.54 0.04 3.99 0.00 -1.26 -5.12 121.76 117.35 2a4r s ALA 5 Ca 0.01 0.02 0.01 0.00 0.00 0.00 0.00 51.96 52.01 2a4r s ALA 5 Cb -0.08 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.16 2a4r s ALA 5 CO 0.02 -0.27 -0.06 1.52 0.00 0.00 0.00 175.76 176.97 2a4r s TYR 6 N -1.68 0.59 0.20 0.00 -0.85 -1.26 -4.82 117.35 109.52 2a4r s TYR 6 Ca -0.12 -0.59 0.09 0.00 -0.52 0.00 0.00 57.07 55.93 2a4r s TYR 6 Cb -0.05 -0.37 -0.04 0.00 0.38 0.00 0.00 41.96 41.88 2a4r s TYR 6 CO 0.01 -0.13 -0.05 0.00 -1.52 0.00 0.00 175.55 173.86 2a4r s ALA 7 N -1.82 3.07 -0.13 9.51 0.00 -1.26 -4.92 121.76 126.20 2a4r s ALA 7 Ca -0.08 -1.48 -0.06 0.00 0.00 0.00 0.00 51.96 50.34 2a4r s ALA 7 Cb -0.07 -0.82 0.06 0.00 0.00 0.00 0.00 23.12 22.29 2a4r s ALA 7 CO -0.01 0.43 0.30 -0.65 0.00 0.00 0.00 175.76 175.83 2a4r s GLN 8 N -3.04 0.24 -0.08 0.00 -0.21 -1.26 -5.10 119.66 110.21 2a4r s GLN 8 Ca 0.27 0.69 -0.24 0.00 0.02 0.00 0.00 55.36 56.10 2a4r s GLN 8 Cb -0.08 -0.04 -0.03 0.00 1.00 0.00 0.00 33.01 33.86 2a4r s GLN 8 CO 0.17 -0.20 0.72 -1.14 -2.12 0.00 0.00 175.29 172.72 2a4r s GLN 9 N 1.72 4.41 0.00 2.91 0.74 -1.26 -4.92 119.66 123.27 2a4r s GLN 9 Ca -0.06 0.89 0.10 0.00 0.05 0.00 0.00 55.36 56.34 2a4r s GLN 9 Cb -0.11 -3.47 0.06 0.00 1.10 0.00 0.00 33.01 30.60 2a4r s GLN 9 CO -0.10 0.01 0.78 0.25 -0.55 0.00 0.00 175.29 175.68 2a4r n THR 10 N 3.93 0.00 -3.58 -0.34 -2.24 -1.26 -5.02 114.28 105.77 2a4r n THR 10 Ca -0.00 -0.48 -0.14 0.00 -2.27 0.00 0.00 64.05 61.15 2a4r n THR 10 Cb 0.51 1.19 -0.06 0.00 -2.10 0.00 0.00 70.33 69.87 2a4r n THR 10 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2a4r s ARG 11 N -0.94 0.83 0.62 -0.78 3.52 -1.26 -5.10 118.95 115.83 2a4r s ARG 11 Ca 0.11 0.49 0.08 0.00 -0.13 0.00 0.00 55.73 56.28 2a4r s ARG 11 Cb 0.08 0.40 0.10 0.00 -1.56 0.00 0.00 34.95 33.97 2a4r s ARG 11 CO 0.15 -0.20 0.85 0.20 -0.81 0.00 0.00 175.30 175.49 2a4r s GLY 12 N -0.53 1.72 0.18 8.12 0.00 -1.26 -4.90 107.32 110.64 2a4r s GLY 12 Ca -0.04 -2.11 -0.17 0.00 0.00 0.00 0.00 44.72 42.40 2a4r s GLY 12 CO 0.04 -1.60 1.65 -2.00 0.00 0.00 0.00 173.10 171.18 2a4r h LEU 13 N -0.01 -0.54 -0.38 0.66 6.46 -2.02 0.47 115.31 119.95 2a4r h LEU 13 Ca -0.30 0.15 -0.19 0.00 -0.12 0.00 0.00 57.88 57.42 2a4r h LEU 13 Cb 1.28 0.32 -0.01 0.00 -0.73 0.00 0.00 40.66 41.53 2a4r h LEU 13 CO 0.40 -0.19 -0.80 0.25 -0.62 0.00 0.00 178.44 177.48 2a4r h LEU 14 N -0.06 0.31 -0.63 2.25 5.85 -2.00 -2.31 115.31 118.72 2a4r h LEU 14 Ca 0.21 -0.22 -0.15 0.00 0.84 0.00 0.00 57.88 58.56 2a4r h LEU 14 Cb 0.38 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 2a4r h LEU 14 CO -0.48 0.98 -0.58 1.23 -0.34 0.00 0.00 178.44 179.26 2a4r h GLY 15 N 1.65 0.36 0.85 3.75 0.00 -1.90 -2.69 103.07 105.08 2a4r h GLY 15 Ca -0.04 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 2a4r h GLY 15 CO 0.13 0.39 0.04 0.00 0.00 0.00 0.00 176.54 177.09 2a4r h ILE 17 N 0.12 1.09 -0.23 0.00 2.04 -1.37 0.81 117.51 119.96 2a4r h ILE 17 Ca 0.06 -0.17 0.01 0.00 1.00 0.00 0.00 64.86 65.77 2a4r h ILE 17 Cb 0.28 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 2a4r h ILE 17 CO 0.00 0.08 0.12 0.40 0.00 0.00 0.00 178.15 178.75 2a4r h ILE 18 N 0.43 1.00 -0.44 -0.67 2.04 -1.47 -1.99 117.51 116.42 2a4r h ILE 18 Ca 0.12 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 2a4r h ILE 18 Cb -0.04 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 2a4r h ILE 18 CO -0.02 0.05 0.23 0.74 0.00 0.00 0.00 178.15 179.14 2a4r h THR 19 N 0.25 1.14 -0.19 -0.27 2.02 -0.97 0.42 112.91 115.31 2a4r h THR 19 Ca 0.09 -0.37 -0.02 0.00 0.77 0.00 0.00 66.41 66.88 2a4r h THR 19 Cb 0.02 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 2a4r h THR 19 CO -0.06 0.16 0.02 -1.28 0.37 0.00 0.00 175.52 174.73 2a4r h SER 20 N 0.60 0.31 0.09 4.18 0.87 -0.21 0.47 113.55 119.86 2a4r h SER 20 Ca 0.16 -0.28 -0.00 0.00 -1.23 0.00 0.00 61.79 60.43 2a4r h SER 20 Cb 0.04 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 2a4r h SER 20 CO -0.02 0.51 -0.04 -0.07 -0.53 0.00 0.00 176.83 176.67 2a4r h LEU 21 N 0.10 -0.10 -0.62 2.23 4.07 -0.79 -3.24 115.31 116.96 2a4r h LEU 21 Ca 0.06 -0.37 0.02 0.00 0.08 0.00 0.00 57.88 57.67 2a4r h LEU 21 Cb 0.34 0.03 -0.04 0.00 1.08 0.00 0.00 40.66 42.07 2a4r h LEU 21 CO 0.01 0.33 0.39 0.74 -1.08 0.00 0.00 178.44 178.83 2a4r h THR 22 N -0.57 1.11 0.00 0.22 2.02 -0.21 -3.46 112.91 112.02 2a4r h THR 22 Ca -0.01 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.90 2a4r h THR 22 Cb 0.47 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 2a4r h THR 22 CO 0.02 0.14 0.00 0.61 0.37 0.00 0.00 175.52 176.66 2a4r n GLY 23 N -1.27 0.75 3.19 2.16 0.00 0.16 -4.74 105.19 105.44 2a4r n GLY 23 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 2a4r n GLY 23 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2a4r s ARG 24 N -0.12 2.68 -0.25 1.61 3.52 -1.25 -1.82 118.95 123.32 2a4r s ARG 24 Ca 0.00 -1.09 -0.03 0.00 -0.13 0.00 0.00 55.73 54.48 2a4r s ARG 24 Cb 0.00 -3.06 0.02 0.00 -1.56 0.00 0.00 34.95 30.35 2a4r s ARG 24 CO 0.00 -0.48 -0.04 0.34 -0.81 0.00 0.00 175.30 174.31 2a4r s ASP 25 N 1.30 4.42 0.00 -2.12 2.15 0.92 -4.83 116.67 118.51 2a4r s ASP 25 Ca -0.02 -0.75 0.25 0.00 0.43 0.00 0.00 52.55 52.46 2a4r s ASP 25 Cb -0.18 -1.71 0.44 0.00 -0.30 0.00 0.00 42.92 41.17 2a4r s ASP 25 CO -0.03 -0.12 1.37 0.29 -0.17 0.00 0.00 175.17 176.51 2a4r n LYS 26 N 4.73 1.09 -1.92 4.34 4.76 -1.26 -0.76 118.16 129.13 2a4r n LYS 26 Ca -0.17 -0.78 -0.38 0.00 -2.87 0.00 0.00 58.31 54.12 2a4r n LYS 26 Cb 0.48 -1.48 0.02 0.00 -1.84 0.00 0.00 35.03 32.21 2a4r n LYS 26 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2a4r s ASN 27 N -2.45 5.57 0.32 4.39 0.02 -1.26 -4.98 114.94 116.55 2a4r s ASN 27 Ca 0.23 2.65 -0.27 0.00 -1.02 0.00 0.00 52.86 54.45 2a4r s ASN 27 Cb 0.19 -2.63 -0.09 0.00 0.02 0.00 0.00 41.25 38.74 2a4r s ASN 27 CO 0.52 -1.36 1.00 -1.58 0.02 0.00 0.00 177.10 175.70 2a4r s GLN 28 N -2.81 4.55 -0.00 -0.60 2.00 -1.26 -4.95 119.66 116.60 2a4r s GLN 28 Ca 0.68 1.49 0.01 0.00 -2.00 0.00 0.00 55.36 55.55 2a4r s GLN 28 Cb -0.37 -2.90 -0.04 0.00 0.80 0.00 0.00 33.01 30.50 2a4r s GLN 28 CO 0.45 0.22 -0.00 0.08 -0.50 0.00 0.00 175.29 175.53 2a4r s VAL 29 N -1.46 4.14 0.07 1.34 1.01 -1.26 -5.11 120.40 119.13 2a4r s VAL 29 Ca 0.49 -0.60 -0.14 0.00 0.00 0.00 0.00 61.98 61.73 2a4r s VAL 29 Cb -0.23 -2.84 0.02 0.00 0.00 0.00 0.00 36.38 33.33 2a4r s VAL 29 CO 0.29 0.38 0.31 -1.61 0.00 0.00 0.00 175.10 174.48 2a4r s GLU 30 N -1.54 0.89 0.00 2.72 2.02 -1.25 -4.03 118.70 117.51 2a4r s GLU 30 Ca 0.19 -0.63 0.00 0.00 0.02 0.00 0.00 54.97 54.56 2a4r s GLU 30 Cb -0.11 0.38 0.00 0.00 0.10 0.00 0.00 34.13 34.50 2a4r s GLU 30 CO 0.10 -0.30 0.00 0.41 0.02 0.00 0.00 175.26 175.49 2a4r n GLY 31 N 0.26 1.48 0.10 -1.39 0.00 -1.26 -4.81 105.19 99.58 2a4r n GLY 31 Ca -0.17 -1.95 -0.13 0.00 0.00 0.00 0.00 46.02 43.77 2a4r n GLY 31 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2a4r n GLU 32 N 1.83 0.68 -5.07 1.61 4.71 -1.25 -0.90 120.64 122.25 2a4r n GLU 32 Ca 0.00 0.21 -0.32 0.00 -0.01 0.00 0.00 57.16 57.04 2a4r n GLU 32 Cb 0.00 -1.69 -0.15 0.00 -1.01 0.00 0.00 31.44 28.59 2a4r n GLU 32 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2a4r s VAL 33 N -2.56 2.48 -0.10 2.62 1.01 -1.26 -0.68 120.40 121.91 2a4r s VAL 33 Ca -0.13 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 60.93 2a4r s VAL 33 Cb 0.07 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 2a4r s VAL 33 CO 0.79 0.56 -0.01 -1.10 0.00 0.00 0.00 175.10 175.34 2a4r s GLN 34 N -0.02 3.10 -0.19 2.72 -1.52 0.66 -4.96 119.66 119.45 2a4r s GLN 34 Ca -0.06 -0.43 -0.22 0.00 -1.95 0.00 0.00 55.36 52.70 2a4r s GLN 34 Cb -0.15 -2.81 -0.02 0.00 -0.22 0.00 0.00 33.01 29.81 2a4r s GLN 34 CO 0.05 0.62 0.68 0.42 -0.25 0.00 0.00 175.29 176.80 2a4r s ILE 35 N -0.66 4.99 0.12 1.08 1.01 -1.26 -1.30 121.20 125.18 2a4r s ILE 35 Ca 0.10 1.29 0.09 0.00 0.00 0.00 0.00 60.65 62.14 2a4r s ILE 35 Cb -0.12 -3.99 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 2a4r s ILE 35 CO 0.02 0.09 -0.23 -0.69 0.00 0.00 0.00 174.94 174.13 2a4r s VAL 36 N 1.98 1.92 0.02 2.92 1.01 -0.10 -4.99 120.40 123.16 2a4r s VAL 36 Ca 0.31 -1.66 -0.09 0.00 0.00 0.00 0.00 61.98 60.54 2a4r s VAL 36 Cb -0.16 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.48 2a4r s VAL 36 CO 0.11 -0.04 0.18 -0.44 0.00 0.00 0.00 175.10 174.90 2a4r s SER 37 N -2.05 0.02 0.47 3.32 0.01 -1.26 -0.34 113.70 113.88 2a4r s SER 37 Ca 0.10 -0.28 0.01 0.00 1.31 0.00 0.00 55.95 57.08 2a4r s SER 37 Cb -0.10 0.25 -0.00 0.00 0.21 0.00 0.00 66.02 66.39 2a4r s SER 37 CO 0.05 -0.48 0.02 0.35 0.41 0.00 0.00 173.24 173.60 2a4r n THR 38 N 1.02 0.00 0.27 1.44 -2.24 0.68 -4.99 114.28 110.45 2a4r n THR 38 Ca -0.21 -2.29 0.16 0.00 -2.27 0.00 0.00 64.05 59.44 2a4r n THR 38 Cb 0.57 0.51 0.69 0.00 -2.10 0.00 0.00 70.33 70.00 2a4r n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2a4r h ALA 39 N 1.30 1.03 0.01 6.98 0.00 -1.99 -3.24 119.26 123.36 2a4r h ALA 39 Ca -0.39 -0.05 -0.36 0.00 0.00 0.00 0.00 54.91 54.11 2a4r h ALA 39 Cb 1.21 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 2a4r h ALA 39 CO 0.64 0.07 -2.25 0.25 0.00 0.00 0.00 179.25 177.97 2a4r n THR 40 N -3.20 1.50 -3.80 0.00 -2.24 -1.26 -5.06 114.28 100.22 2a4r n THR 40 Ca -0.00 -0.75 -0.09 0.00 -2.27 0.00 0.00 64.05 60.93 2a4r n THR 40 Cb 0.30 -0.95 -0.04 0.00 -2.10 0.00 0.00 70.33 67.55 2a4r n THR 40 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2a4r s GLN 41 N -2.52 1.42 -0.04 -0.78 -2.07 -1.22 -5.16 119.66 109.28 2a4r s GLN 41 Ca -0.17 -0.96 0.04 0.00 -1.82 0.00 0.00 55.36 52.46 2a4r s GLN 41 Cb 0.07 0.51 -0.00 0.00 -1.09 0.00 0.00 33.01 32.50 2a4r s GLN 41 CO 0.76 -0.60 -0.16 -0.08 -1.32 0.00 0.00 175.29 173.90 2a4r s THR 42 N -3.91 1.34 0.00 3.63 -1.32 -1.26 -0.23 115.64 113.89 2a4r s THR 42 Ca 0.12 -0.67 0.00 0.00 -1.21 0.00 0.00 61.69 59.93 2a4r s THR 42 Cb -0.01 -1.15 0.00 0.00 -1.51 0.00 0.00 72.50 69.83 2a4r s THR 42 CO -0.00 0.39 0.00 2.22 -2.21 0.00 0.00 174.62 175.02 2a4r n PHE 43 N 3.14 0.00 -4.31 9.09 -1.74 0.54 -4.41 117.46 119.77 2a4r n PHE 43 Ca -0.18 0.00 -0.18 0.00 -0.56 0.00 0.00 57.45 56.53 2a4r n PHE 43 Cb 0.53 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.43 2a4r n PHE 43 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 2a4r s LEU 44 N 0.00 2.52 -0.01 5.98 1.43 -0.21 -0.93 118.68 127.46 2a4r s LEU 44 Ca 0.00 -0.98 0.01 0.00 -1.03 0.00 0.00 54.13 52.13 2a4r s LEU 44 Cb 0.00 -0.60 0.01 0.00 0.03 0.00 0.00 46.19 45.63 2a4r s LEU 44 CO 0.00 -0.19 -0.01 0.00 0.23 0.00 0.00 176.35 176.38 2a4r s ALA 45 N -2.85 0.24 -0.10 4.21 0.00 -0.42 -4.06 121.76 118.78 2a4r s ALA 45 Ca 0.19 0.03 0.02 0.00 0.00 0.00 0.00 51.96 52.20 2a4r s ALA 45 Cb -0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 2a4r s ALA 45 CO 0.05 -0.01 -0.17 0.99 0.00 0.00 0.00 175.76 176.62 2a4r s THR 46 N 0.44 2.71 -0.31 0.00 2.01 0.88 -0.24 115.64 121.13 2a4r s THR 46 Ca -0.04 -0.80 -0.21 0.00 0.31 0.00 0.00 61.69 60.94 2a4r s THR 46 Cb -0.07 -2.09 -0.00 0.00 0.01 0.00 0.00 72.50 70.35 2a4r s THR 46 CO -0.01 0.55 0.68 0.00 -0.69 0.00 0.00 174.62 175.15 2a4r s ILE 48 N 2.73 1.18 -1.46 0.00 1.01 0.06 -0.81 121.20 123.91 2a4r s ILE 48 Ca 0.27 -0.46 -0.02 0.00 0.00 0.00 0.00 60.65 60.44 2a4r s ILE 48 Cb -0.15 -1.11 0.02 0.00 0.01 0.00 0.00 42.46 41.23 2a4r s ILE 48 CO 0.12 0.38 0.41 0.59 0.00 0.00 0.00 174.94 176.44 2a4r n ASN 49 N 4.20 -0.48 0.00 3.58 4.13 -0.10 -1.54 115.26 125.05 2a4r n ASN 49 Ca -0.19 -1.04 0.00 0.00 1.68 0.00 0.00 54.58 55.03 2a4r n ASN 49 Cb 0.51 -2.84 0.00 0.00 -1.54 0.00 0.00 39.78 35.91 2a4r n ASN 49 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2a4r n GLY 50 N -2.00 0.82 3.17 7.41 0.00 -1.26 -5.01 105.19 108.32 2a4r n GLY 50 Ca -0.27 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.47 2a4r n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a4r s VAL 51 N -3.33 1.66 -0.56 1.61 1.01 -0.59 -1.48 120.40 118.72 2a4r s VAL 51 Ca 0.00 -0.83 -0.22 0.00 0.00 0.00 0.00 61.98 60.94 2a4r s VAL 51 Cb 0.00 -1.43 0.06 0.00 0.00 0.00 0.00 36.38 35.01 2a4r s VAL 51 CO 0.00 0.47 0.83 0.00 0.00 0.00 0.00 175.10 176.40 2a4r s TRP 53 N 3.45 3.59 0.35 0.00 0.52 0.94 -1.09 118.94 126.69 2a4r s TRP 53 Ca 0.22 0.60 -0.02 0.00 0.02 0.00 0.00 56.10 56.92 2a4r s TRP 53 Cb -0.16 -2.00 0.00 0.00 -1.15 0.00 0.00 33.47 30.15 2a4r s TRP 53 CO 0.14 0.62 0.48 -0.08 0.02 0.00 0.00 176.95 178.13 2a4r s THR 54 N -1.27 0.00 -0.11 2.01 -1.32 -0.55 -0.08 115.64 114.33 2a4r s THR 54 Ca 0.26 -1.59 -0.27 0.00 -1.21 0.00 0.00 61.69 58.88 2a4r s THR 54 Cb -0.13 -2.65 -0.02 0.00 -1.51 0.00 0.00 72.50 68.18 2a4r s THR 54 CO 0.15 0.00 0.87 0.54 -2.21 0.00 0.00 174.62 173.97 2a4r s VAL 55 N -3.00 4.89 0.47 5.08 0.11 -1.26 -2.06 120.40 124.62 2a4r s VAL 55 Ca 0.30 1.76 0.14 0.00 -2.93 0.00 0.00 61.98 61.25 2a4r s VAL 55 Cb -0.01 -4.19 0.29 0.00 -1.53 0.00 0.00 36.38 30.95 2a4r s VAL 55 CO 0.21 0.09 2.08 0.22 -3.33 0.00 0.00 175.10 174.36 2a4r h TYR 56 N 7.08 0.23 0.00 1.54 3.20 -1.29 -0.88 116.97 126.85 2a4r h TYR 56 Ca -0.34 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.54 2a4r h TYR 56 Cb 1.16 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.35 2a4r h TYR 56 CO 0.70 0.13 0.00 -2.39 -1.64 0.00 0.00 178.16 174.96 2a4r n HIS 57 N -4.49 0.00 -0.01 -3.82 1.44 -1.26 -0.78 115.22 106.30 2a4r n HIS 57 Ca 0.02 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 55.71 2a4r n HIS 57 Cb 0.18 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.28 2a4r n HIS 57 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2a4r n GLY 58 N 0.06 -0.03 0.09 -1.39 0.00 -0.43 -4.82 105.19 98.66 2a4r n GLY 58 Ca 0.12 -0.01 -0.05 0.00 0.00 0.00 0.00 46.02 46.08 2a4r n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a4r h ALA 59 N -0.04 0.64 -0.71 4.61 0.00 -1.27 -3.48 119.26 119.02 2a4r h ALA 59 Ca -0.05 -1.08 0.00 0.00 0.00 0.00 0.00 54.91 53.78 2a4r h ALA 59 Cb 1.06 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2a4r h ALA 59 CO -0.02 1.24 0.00 0.41 0.00 0.00 0.00 179.25 180.88 2a4r n GLY 60 N 1.43 2.56 0.40 0.00 0.00 0.04 -2.33 105.19 107.30 2a4r n GLY 60 Ca -0.09 -0.33 0.05 0.00 0.00 0.00 0.00 46.02 45.66 2a4r n GLY 60 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2a4r n THR 61 N 0.00 1.41 -0.85 2.61 -2.24 -1.26 -4.88 114.28 109.08 2a4r n THR 61 Ca 0.00 -1.39 -0.33 0.00 -2.27 0.00 0.00 64.05 60.06 2a4r n THR 61 Cb 0.00 0.22 0.13 0.00 -2.10 0.00 0.00 70.33 68.58 2a4r n THR 61 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2a4r n ARG 62 N -0.33 -0.22 -2.69 -0.78 1.74 -0.98 -4.74 116.66 108.66 2a4r n ARG 62 Ca 0.11 -0.01 -0.25 0.00 -0.77 0.00 0.00 57.85 56.93 2a4r n ARG 62 Cb 0.50 -2.02 0.02 0.00 -1.02 0.00 0.00 32.46 29.94 2a4r n ARG 62 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2a4r s THR 63 N -2.37 3.80 -0.11 0.55 -4.23 -1.26 -4.50 115.64 107.52 2a4r s THR 63 Ca 0.62 -0.26 -0.02 0.00 -1.18 0.00 0.00 61.69 60.85 2a4r s THR 63 Cb -0.24 -3.45 -0.03 0.00 1.34 0.00 0.00 72.50 70.12 2a4r s THR 63 CO 0.63 -0.39 -0.05 -0.51 -0.54 0.00 0.00 174.62 173.75 2a4r s ILE 64 N -2.77 3.79 0.20 2.99 2.07 -0.01 -4.81 121.20 122.66 2a4r s ILE 64 Ca 0.51 -0.42 -0.30 0.00 -1.41 0.00 0.00 60.65 59.03 2a4r s ILE 64 Cb -0.10 -2.61 -0.09 0.00 0.13 0.00 0.00 42.46 39.79 2a4r s ILE 64 CO 0.41 0.55 1.33 0.00 -1.91 0.00 0.00 174.94 175.32 2a4r s ALA 65 N -0.19 3.54 0.26 1.50 0.00 -1.26 -0.48 121.76 125.14 2a4r s ALA 65 Ca 0.03 1.14 0.03 0.00 0.00 0.00 0.00 51.96 53.15 2a4r s ALA 65 Cb -0.13 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.46 2a4r s ALA 65 CO 0.03 -0.57 0.19 -1.54 0.00 0.00 0.00 175.76 173.87 2a4r s SER 66 N 0.40 0.92 0.13 0.00 1.04 -0.76 -4.56 113.70 110.87 2a4r s SER 66 Ca 0.58 -1.56 0.15 0.00 0.48 0.00 0.00 55.95 55.60 2a4r s SER 66 Cb -0.37 0.45 0.68 0.00 0.10 0.00 0.00 66.02 66.89 2a4r s SER 66 CO 0.38 -0.94 1.47 -0.81 0.98 0.00 0.00 173.24 174.33 2a4r n PRO 67 N -0.45 0.08 -0.31 4.02 -0.04 0.06 -0.05 135.00 138.30 2a4r n PRO 67 Ca 0.04 0.41 0.07 0.00 -0.04 0.00 0.00 63.50 63.99 2a4r n PRO 67 Cb 0.64 -1.68 0.21 0.00 -0.04 0.00 0.00 33.50 32.63 2a4r n PRO 67 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2a4r n LYS 68 N -1.83 2.96 0.00 0.54 5.02 -1.26 -4.79 118.16 118.79 2a4r n LYS 68 Ca 0.02 -2.42 0.00 0.00 -2.02 0.00 0.00 58.31 53.89 2a4r n LYS 68 Cb 0.13 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 2a4r n LYS 68 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2a4r n GLY 69 N 0.15 -1.70 3.76 0.72 0.00 -0.65 -5.00 105.19 102.47 2a4r n GLY 69 Ca 0.16 -2.12 -0.38 0.00 0.00 0.00 0.00 46.02 43.69 2a4r n GLY 69 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2a4r s PRO 70 N -0.19 3.47 -0.13 1.61 0.02 -0.76 -1.83 135.00 137.20 2a4r s PRO 70 Ca 0.00 2.06 0.02 0.00 0.02 0.00 0.00 61.00 63.11 2a4r s PRO 70 Cb 0.00 -2.38 0.01 0.00 0.02 0.00 0.00 34.50 32.15 2a4r s PRO 70 CO 0.00 -0.87 -0.21 0.08 -0.33 0.00 0.00 177.00 175.67 2a4r s VAL 71 N -1.38 1.95 0.53 3.83 1.01 0.37 -4.89 120.40 121.81 2a4r s VAL 71 Ca 0.67 -0.91 -0.20 0.00 0.00 0.00 0.00 61.98 61.54 2a4r s VAL 71 Cb -0.36 -1.73 -0.06 0.00 0.00 0.00 0.00 36.38 34.23 2a4r s VAL 71 CO 0.43 0.53 1.12 -0.63 0.00 0.00 0.00 175.10 176.55 2a4r s ILE 72 N 0.83 3.22 0.46 2.22 1.01 -1.26 -0.83 121.20 126.84 2a4r s ILE 72 Ca -0.07 0.78 -0.24 0.00 0.00 0.00 0.00 60.65 61.11 2a4r s ILE 72 Cb -0.15 -3.32 -0.07 0.00 0.01 0.00 0.00 42.46 38.92 2a4r s ILE 72 CO -0.01 -0.15 1.30 -1.10 0.00 0.00 0.00 174.94 174.98 2a4r s GLN 73 N -3.22 3.70 -0.02 2.79 -0.21 -1.26 -4.73 119.66 116.70 2a4r s GLN 73 Ca 0.71 2.12 -0.08 0.00 0.02 0.00 0.00 55.36 58.13 2a4r s GLN 73 Cb -0.24 -2.55 -0.30 0.00 1.00 0.00 0.00 33.01 30.92 2a4r s GLN 73 CO 0.27 -0.71 0.76 0.52 -2.12 0.00 0.00 175.29 174.01 2a4r h MET 74 N 2.22 0.35 -4.42 2.91 2.86 0.64 -3.47 114.93 116.01 2a4r h MET 74 Ca -0.50 -0.60 -0.32 0.00 -2.06 0.00 0.00 59.70 56.22 2a4r h MET 74 Cb 1.26 0.22 -0.27 0.00 0.06 0.00 0.00 31.60 32.88 2a4r h MET 74 CO 0.61 1.25 -0.75 0.71 1.06 0.00 0.00 176.91 179.78 2a4r s TYR 75 N -2.59 0.56 -0.04 -0.22 2.02 -0.76 -4.95 117.35 111.37 2a4r s TYR 75 Ca -0.13 -0.19 -0.01 0.00 -0.37 0.00 0.00 57.07 56.37 2a4r s TYR 75 Cb 0.06 -0.35 0.03 0.00 -0.40 0.00 0.00 41.96 41.30 2a4r s TYR 75 CO 0.86 -0.02 0.07 0.99 -1.57 0.00 0.00 175.55 175.88 2a4r s THR 76 N -0.43 -0.06 -0.38 -0.71 2.01 -1.26 -0.55 115.64 114.26 2a4r s THR 76 Ca -0.01 0.21 0.03 0.00 0.31 0.00 0.00 61.69 62.24 2a4r s THR 76 Cb -0.04 -0.14 0.16 0.00 0.01 0.00 0.00 72.50 72.49 2a4r s THR 76 CO -0.00 0.09 0.39 0.21 -0.69 0.00 0.00 174.62 174.62 2a4r s ASN 77 N 1.15 1.03 0.38 3.53 3.84 0.57 -4.98 114.94 120.45 2a4r s ASN 77 Ca -0.09 -1.66 0.14 0.00 0.21 0.00 0.00 52.86 51.46 2a4r s ASN 77 Cb -0.12 0.59 0.97 0.00 -0.55 0.00 0.00 41.25 42.13 2a4r s ASN 77 CO -0.04 -0.24 1.82 0.58 -2.79 0.00 0.00 177.10 176.42 2a4r h VAL 78 N 5.00 0.67 -0.23 -5.21 2.07 -1.95 0.45 116.25 117.04 2a4r h VAL 78 Ca 0.06 -0.18 -0.08 0.00 0.82 0.00 0.00 66.70 67.32 2a4r h VAL 78 Cb 1.05 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 2a4r h VAL 78 CO 0.20 0.10 -0.16 0.44 0.02 0.00 0.00 177.57 178.16 2a4r h ASP 79 N 0.53 0.54 1.21 0.57 5.19 -1.94 -2.64 116.42 119.88 2a4r h ASP 79 Ca 0.52 -0.44 0.00 0.00 -0.62 0.00 0.00 57.03 56.49 2a4r h ASP 79 Cb 1.12 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.48 2a4r h ASP 79 CO -0.26 0.87 0.00 0.00 -3.12 0.00 0.00 179.24 176.72 2a4r n GLN 80 N -4.46 0.23 -3.23 3.56 3.00 -0.43 -4.90 117.38 111.16 2a4r n GLN 80 Ca -0.05 0.28 -0.17 0.00 -0.01 0.00 0.00 57.00 57.05 2a4r n GLN 80 Cb 0.38 -1.82 0.05 0.00 0.00 0.00 0.00 30.24 28.85 2a4r n GLN 80 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 2a4r n ASP 81 N -2.23 -5.18 -4.25 1.08 2.03 0.15 -4.96 116.55 103.18 2a4r n ASP 81 Ca 0.04 -0.37 -0.21 0.00 0.52 0.00 0.00 54.79 54.77 2a4r n ASP 81 Cb 0.36 -3.82 -0.12 0.00 -0.72 0.00 0.00 41.12 36.82 2a4r n ASP 81 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2a4r s LEU 82 N -5.53 2.31 0.00 -2.67 1.43 -0.86 -0.95 118.68 112.41 2a4r s LEU 82 Ca 0.40 -0.69 -0.08 0.00 -1.03 0.00 0.00 54.13 52.73 2a4r s LEU 82 Cb -0.18 -0.73 0.00 0.00 0.03 0.00 0.00 46.19 45.31 2a4r s LEU 82 CO 0.49 -0.01 0.15 0.68 0.23 0.00 0.00 176.35 177.90 2a4r s VAL 83 N -1.36 0.08 -0.08 -1.59 -7.23 -0.88 -0.32 120.40 109.02 2a4r s VAL 83 Ca 0.05 -0.66 -0.07 0.00 -1.81 0.00 0.00 61.98 59.48 2a4r s VAL 83 Cb -0.09 -0.45 0.02 0.00 0.56 0.00 0.00 36.38 36.42 2a4r s VAL 83 CO 0.04 -0.36 0.21 -0.83 -0.31 0.00 0.00 175.10 173.85 2a4r s GLY 84 N -1.36 -0.16 0.28 2.32 0.00 0.29 -1.48 107.32 107.21 2a4r s GLY 84 Ca -0.14 0.61 0.10 0.00 0.00 0.00 0.00 44.72 45.28 2a4r s GLY 84 CO 0.02 0.53 -0.15 -0.98 0.00 0.00 0.00 173.10 172.52 2a4r s TRP 85 N 0.14 2.14 0.35 1.90 0.51 -0.25 0.12 118.94 123.85 2a4r s TRP 85 Ca -0.00 -0.47 -0.29 0.00 -2.12 0.00 0.00 56.10 53.23 2a4r s TRP 85 Cb -0.02 -1.04 -0.11 0.00 -0.81 0.00 0.00 33.47 31.49 2a4r s TRP 85 CO 0.00 0.55 1.44 -2.14 -0.51 0.00 0.00 176.95 176.29 2a4r s PRO 86 N -3.59 4.19 0.33 4.98 0.02 -1.26 -0.34 135.00 139.33 2a4r s PRO 86 Ca 0.29 2.45 -0.29 0.00 0.02 0.00 0.00 61.00 63.46 2a4r s PRO 86 Cb -0.01 -3.01 -0.12 0.00 0.02 0.00 0.00 34.50 31.38 2a4r s PRO 86 CO 0.13 -0.43 1.53 0.00 -0.33 0.00 0.00 177.00 177.90 2a4r n ALA 87 N 0.81 2.34 -1.75 -1.55 0.00 -0.55 -4.44 120.51 115.36 2a4r n ALA 87 Ca 0.02 0.36 -0.38 0.00 0.00 0.00 0.00 53.44 53.44 2a4r n ALA 87 Cb 0.40 -2.42 0.04 0.00 0.00 0.00 0.00 19.45 17.47 2a4r n ALA 87 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2a4r s PRO 88 N -1.22 3.07 0.09 0.00 0.02 -1.26 -4.91 135.00 130.78 2a4r s PRO 88 Ca 0.59 2.15 -0.31 0.00 0.02 0.00 0.00 61.00 63.45 2a4r s PRO 88 Cb -0.50 -2.17 -0.08 0.00 0.02 0.00 0.00 34.50 31.77 2a4r s PRO 88 CO 0.56 -1.22 1.54 -0.65 -0.33 0.00 0.00 177.00 176.89 2a4r s GLN 89 N -3.00 4.24 0.00 5.54 -1.52 -1.26 -2.15 119.66 121.50 2a4r s GLN 89 Ca 0.73 2.22 0.00 0.00 -1.95 0.00 0.00 55.36 56.37 2a4r s GLN 89 Cb -0.39 -3.43 0.00 0.00 -0.22 0.00 0.00 33.01 28.98 2a4r s GLN 89 CO 0.45 -0.62 0.00 0.41 -0.25 0.00 0.00 175.29 175.28 2a4r n GLY 90 N 3.78 2.17 3.86 3.09 0.00 -1.26 -4.23 105.19 112.60 2a4r n GLY 90 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 2a4r n GLY 90 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2a4r s SER 91 N -1.31 5.09 -0.03 1.61 1.04 -0.92 -3.77 113.70 115.43 2a4r s SER 91 Ca 0.00 1.14 0.06 0.00 0.48 0.00 0.00 55.95 57.64 2a4r s SER 91 Cb 0.00 -1.90 -0.01 0.00 0.10 0.00 0.00 66.02 64.21 2a4r s SER 91 CO 0.00 -1.57 -0.22 -0.13 0.98 0.00 0.00 173.24 172.31 2a4r s ARG 92 N -5.33 1.88 0.07 4.02 0.52 -0.08 -4.87 118.95 115.17 2a4r s ARG 92 Ca 0.59 -0.78 -0.02 0.00 -0.52 0.00 0.00 55.73 55.01 2a4r s ARG 92 Cb -0.12 -1.76 -0.04 0.00 0.52 0.00 0.00 34.95 33.55 2a4r s ARG 92 CO 0.52 0.43 0.25 -1.12 0.02 0.00 0.00 175.30 175.40 2a4r s SER 93 N -0.39 6.40 0.47 0.23 0.01 -1.26 -3.78 113.70 115.37 2a4r s SER 93 Ca 0.05 0.38 -0.02 0.00 1.31 0.00 0.00 55.95 57.67 2a4r s SER 93 Cb -0.10 -2.01 -0.01 0.00 0.21 0.00 0.00 66.02 64.11 2a4r s SER 93 CO 0.00 0.16 0.72 -0.76 0.41 0.00 0.00 173.24 173.77 2a4r s LEU 94 N -2.42 3.63 0.07 2.44 1.43 0.01 -4.77 118.68 119.07 2a4r s LEU 94 Ca 0.35 0.54 0.09 0.00 -1.03 0.00 0.00 54.13 54.08 2a4r s LEU 94 Cb -0.13 -3.42 -0.03 0.00 0.03 0.00 0.00 46.19 42.64 2a4r s LEU 94 CO 0.25 -0.67 -0.25 0.42 0.23 0.00 0.00 176.35 176.33 2a4r s THR 95 N -2.64 2.28 0.69 5.49 -4.23 -1.26 -0.92 115.64 115.05 2a4r s THR 95 Ca 0.48 -1.47 -0.17 0.00 -1.18 0.00 0.00 61.69 59.35 2a4r s THR 95 Cb -0.10 -1.94 0.01 0.00 1.34 0.00 0.00 72.50 71.81 2a4r s THR 95 CO 0.40 0.28 1.17 -2.65 -0.54 0.00 0.00 174.62 173.28 2a4r n PRO 96 N 1.48 0.78 -2.28 3.99 -0.02 -1.26 -1.69 135.00 136.01 2a4r n PRO 96 Ca -0.17 0.33 -0.38 0.00 -2.02 0.00 0.00 63.50 61.25 2a4r n PRO 96 Cb 0.52 -2.41 -0.02 0.00 -0.02 0.00 0.00 33.50 31.58 2a4r n PRO 96 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2a4r n THR 98 N 0.06 0.89 -1.22 0.00 -2.24 -1.26 -4.81 114.28 105.70 2a4r n THR 98 Ca 0.04 -2.91 0.00 0.00 -2.27 0.00 0.00 64.05 58.91 2a4r n THR 98 Cb 0.46 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 2a4r n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2a4r n GLY 100 N 0.00 -0.45 3.81 0.00 0.00 -1.26 -4.94 105.19 102.35 2a4r n GLY 100 Ca 0.00 0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 2a4r n GLY 100 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2a4r s SER 101 N -3.31 6.66 0.00 1.61 0.15 -1.26 -4.96 113.70 112.58 2a4r s SER 101 Ca 0.72 1.76 0.11 0.00 0.70 0.00 0.00 55.95 59.24 2a4r s SER 101 Cb -0.38 -2.54 0.26 0.00 -1.71 0.00 0.00 66.02 61.64 2a4r s SER 101 CO 0.91 -0.56 1.16 -1.20 1.20 0.00 0.00 173.24 174.75 2a4r n SER 102 N -0.91 2.70 -4.19 5.45 7.64 -1.26 -4.84 113.62 118.21 2a4r n SER 102 Ca 0.08 -1.87 -0.39 0.00 1.01 0.00 0.00 58.87 57.69 2a4r n SER 102 Cb 0.53 -0.18 -0.10 0.00 -1.01 0.00 0.00 64.21 63.46 2a4r n SER 102 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2a4r s ASP 103 N -0.98 5.54 0.30 6.43 1.01 -1.26 -0.14 116.67 127.56 2a4r s ASP 103 Ca 0.21 -1.88 0.07 0.00 0.71 0.00 0.00 52.55 51.65 2a4r s ASP 103 Cb 0.12 -1.95 -0.03 0.00 1.01 0.00 0.00 42.92 42.07 2a4r s ASP 103 CO 0.15 -0.62 0.31 -0.76 0.21 0.00 0.00 175.17 174.47 2a4r s LEU 104 N 1.30 3.83 -0.16 1.23 1.43 -0.26 -3.78 118.68 122.27 2a4r s LEU 104 Ca 0.06 -0.29 -0.03 0.00 -1.03 0.00 0.00 54.13 52.84 2a4r s LEU 104 Cb -0.25 -2.45 0.05 0.00 0.03 0.00 0.00 46.19 43.58 2a4r s LEU 104 CO -0.01 -0.24 0.03 -0.31 0.23 0.00 0.00 176.35 176.04 2a4r s TYR 105 N -2.19 0.88 -0.11 0.29 2.02 0.15 -0.79 117.35 117.60 2a4r s TYR 105 Ca 0.39 -0.65 -0.27 0.00 -0.37 0.00 0.00 57.07 56.16 2a4r s TYR 105 Cb -0.08 -0.95 -0.02 0.00 -0.40 0.00 0.00 41.96 40.52 2a4r s TYR 105 CO 0.27 -0.53 0.91 -1.17 -1.57 0.00 0.00 175.55 173.46 2a4r s LEU 106 N 1.91 4.24 -0.26 -1.29 2.96 0.64 -0.87 118.68 126.00 2a4r s LEU 106 Ca 0.01 1.38 -0.15 0.00 -0.22 0.00 0.00 54.13 55.15 2a4r s LEU 106 Cb -0.16 -3.39 -0.04 0.00 0.50 0.00 0.00 46.19 43.10 2a4r s LEU 106 CO -0.07 -0.38 0.36 -0.69 -1.32 0.00 0.00 176.35 174.25 2a4r s VAL 107 N 1.83 5.19 0.56 1.68 1.01 -0.88 -0.49 120.40 129.30 2a4r s VAL 107 Ca 0.44 0.56 -0.01 0.00 0.00 0.00 0.00 61.98 62.97 2a4r s VAL 107 Cb -0.18 -3.69 0.03 0.00 0.00 0.00 0.00 36.38 32.54 2a4r s VAL 107 CO 0.17 0.18 0.81 0.42 0.00 0.00 0.00 175.10 176.69 2a4r s THR 108 N 1.89 3.05 -0.82 3.92 -4.23 0.43 -4.35 115.64 115.52 2a4r s THR 108 Ca 0.15 -0.46 0.10 0.00 -1.18 0.00 0.00 61.69 60.30 2a4r s THR 108 Cb -0.15 -3.18 0.09 0.00 1.34 0.00 0.00 72.50 70.60 2a4r s THR 108 CO 0.09 -0.15 1.32 -2.11 -0.54 0.00 0.00 174.62 173.23 2a4r n ARG 109 N -2.42 0.04 -0.18 3.99 1.85 -1.26 -0.16 116.66 118.52 2a4r n ARG 109 Ca 0.06 0.44 0.11 0.00 -1.00 0.00 0.00 57.85 57.46 2a4r n ARG 109 Cb 0.59 -1.61 0.26 0.00 -1.05 0.00 0.00 32.46 30.65 2a4r n ARG 109 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2a4r n HIS 110 N -1.69 0.48 -2.43 2.89 -0.00 -1.26 -4.93 115.22 108.28 2a4r n HIS 110 Ca 0.01 -0.24 -0.11 0.00 -0.00 0.00 0.00 57.72 57.38 2a4r n HIS 110 Cb 0.08 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.08 2a4r n HIS 110 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2a4r n ALA 111 N 1.17 -0.40 -2.76 -1.41 0.00 0.78 -4.74 120.51 113.14 2a4r n ALA 111 Ca 0.19 0.12 -0.36 0.00 0.00 0.00 0.00 53.44 53.39 2a4r n ALA 111 Cb 0.52 -1.79 -0.08 0.00 0.00 0.00 0.00 19.45 18.10 2a4r n ALA 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2a4r s ASP 112 N -2.70 5.69 -0.22 0.00 1.01 -1.25 -4.44 116.67 114.76 2a4r s ASP 112 Ca 0.08 0.27 -0.05 0.00 0.71 0.00 0.00 52.55 53.56 2a4r s ASP 112 Cb -0.03 -1.70 -0.01 0.00 1.01 0.00 0.00 42.92 42.18 2a4r s ASP 112 CO 0.10 0.38 -0.02 0.68 0.21 0.00 0.00 175.17 176.52 2a4r s VAL 113 N -0.96 3.59 -0.08 -1.27 -7.23 -1.26 -0.43 120.40 112.76 2a4r s VAL 113 Ca 0.15 -0.42 0.02 0.00 -1.81 0.00 0.00 61.98 59.91 2a4r s VAL 113 Cb -0.12 -2.64 -0.02 0.00 0.56 0.00 0.00 36.38 34.16 2a4r s VAL 113 CO 0.04 0.41 -0.12 0.27 -0.31 0.00 0.00 175.10 175.38 2a4r s ILE 114 N 1.45 3.20 0.26 -0.62 -4.36 0.35 -4.91 121.20 116.56 2a4r s ILE 114 Ca 0.05 -0.65 -0.30 0.00 -0.26 0.00 0.00 60.65 59.50 2a4r s ILE 114 Cb -0.14 -2.30 -0.09 0.00 1.25 0.00 0.00 42.46 41.18 2a4r s ILE 114 CO -0.01 0.56 1.14 -2.16 0.24 0.00 0.00 174.94 174.71 2a4r s PRO 115 N -0.32 4.58 -0.00 0.37 0.04 -1.26 -0.26 135.00 138.14 2a4r s PRO 115 Ca 0.03 1.85 0.00 0.00 0.04 0.00 0.00 61.00 62.93 2a4r s PRO 115 Cb -0.13 -3.19 -0.00 0.00 0.04 0.00 0.00 34.50 31.22 2a4r s PRO 115 CO 0.03 0.10 -0.01 0.14 0.04 0.00 0.00 177.00 177.29 2a4r s VAL 116 N -0.87 0.10 -0.26 -0.36 -7.23 0.03 -2.59 120.40 109.22 2a4r s VAL 116 Ca 0.47 -0.05 -0.11 0.00 -1.81 0.00 0.00 61.98 60.48 2a4r s VAL 116 Cb -0.33 -0.10 -0.05 0.00 0.56 0.00 0.00 36.38 36.47 2a4r s VAL 116 CO 0.41 0.03 0.19 -0.60 -0.31 0.00 0.00 175.10 174.82 2a4r s ARG 117 N -0.01 4.00 0.23 4.82 3.00 0.60 -1.10 118.95 130.49 2a4r s ARG 117 Ca 0.00 -0.27 -0.32 0.00 -1.00 0.00 0.00 55.73 54.14 2a4r s ARG 117 Cb -0.01 -3.61 -0.12 0.00 0.00 0.00 0.00 34.95 31.21 2a4r s ARG 117 CO -0.00 -0.09 1.65 -2.13 0.00 0.00 0.00 175.30 174.74 2a4r n ARG 118 N 4.76 2.65 -0.33 5.12 3.00 0.80 -0.37 116.66 132.29 2a4r n ARG 118 Ca -0.14 0.95 0.05 0.00 -0.00 0.00 0.00 57.85 58.71 2a4r n ARG 118 Cb 0.52 -2.76 0.07 0.00 0.00 0.00 0.00 32.46 30.29 2a4r n ARG 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2a4r n ARG 119 N 3.26 0.60 0.00 -0.14 5.12 0.11 -4.89 116.66 120.71 2a4r n ARG 119 Ca 0.14 -1.77 0.00 0.00 -1.93 0.00 0.00 57.85 54.29 2a4r n ARG 119 Cb 0.35 -0.96 0.00 0.00 -1.16 0.00 0.00 32.46 30.69 2a4r n ARG 119 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2a4r n GLY 120 N -0.66 1.42 0.29 -0.13 0.00 -1.15 -4.81 105.19 100.15 2a4r n GLY 120 Ca 0.08 -1.19 0.16 0.00 0.00 0.00 0.00 46.02 45.07 2a4r n GLY 120 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2a4r h ASP 121 N 0.00 0.00 0.00 1.61 1.82 -1.99 -3.11 116.42 114.75 2a4r h ASP 121 Ca 0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.63 2a4r h ASP 121 Cb 0.00 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 39.98 2a4r h ASP 121 CO 0.00 0.06 -0.30 -1.54 -1.61 0.00 0.00 179.24 175.85 2a4r n SER 122 N -3.39 1.51 -3.73 2.28 3.41 -1.26 -4.46 113.62 107.97 2a4r n SER 122 Ca -0.02 -2.83 -0.13 0.00 -0.26 0.00 0.00 58.87 55.63 2a4r n SER 122 Cb 0.20 -0.37 -0.08 0.00 -0.26 0.00 0.00 64.21 63.70 2a4r n SER 122 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2a4r s ARG 123 N -1.92 0.73 0.07 4.33 3.52 -1.18 -1.90 118.95 122.61 2a4r s ARG 123 Ca 0.24 -0.20 -0.17 0.00 -0.13 0.00 0.00 55.73 55.48 2a4r s ARG 123 Cb 0.23 0.33 0.03 0.00 -1.56 0.00 0.00 34.95 33.98 2a4r s ARG 123 CO -0.01 -0.21 0.39 0.20 -0.81 0.00 0.00 175.30 174.86 2a4r s GLY 124 N -1.44 -0.25 -0.05 8.12 0.00 -1.00 0.04 107.32 112.73 2a4r s GLY 124 Ca -0.12 0.14 0.03 0.00 0.00 0.00 0.00 44.72 44.77 2a4r s GLY 124 CO 0.04 -0.12 -0.14 -1.35 0.00 0.00 0.00 173.10 171.53 2a4r s SER 125 N -2.30 4.05 0.08 1.64 1.04 0.50 -0.79 113.70 117.92 2a4r s SER 125 Ca -0.02 -0.19 -0.31 0.00 0.48 0.00 0.00 55.95 55.91 2a4r s SER 125 Cb 0.00 -0.89 -0.07 0.00 0.10 0.00 0.00 66.02 65.16 2a4r s SER 125 CO -0.06 0.34 1.35 -0.76 0.98 0.00 0.00 173.24 175.09 2a4r s LEU 126 N -0.69 4.36 0.45 2.42 1.43 0.61 -0.29 118.68 126.97 2a4r s LEU 126 Ca 0.11 2.23 0.30 0.00 -1.03 0.00 0.00 54.13 55.74 2a4r s LEU 126 Cb -0.11 -3.58 1.23 0.00 0.03 0.00 0.00 46.19 43.76 2a4r s LEU 126 CO 0.01 -0.63 1.89 -0.07 0.23 0.00 0.00 176.35 177.78 2a4r h LEU 127 N 7.06 0.00 -6.60 1.79 3.38 -1.81 -3.37 115.31 115.76 2a4r h LEU 127 Ca -0.41 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.14 2a4r h LEU 127 Cb 1.21 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 41.60 2a4r h LEU 127 CO 0.86 0.00 -0.70 -0.94 0.09 0.00 0.00 178.44 177.75 2a4r s SER 128 N -5.23 2.36 0.67 -0.43 1.04 -1.26 -5.14 113.70 105.71 2a4r s SER 128 Ca 0.02 -1.10 -0.17 0.00 0.48 0.00 0.00 55.95 55.18 2a4r s SER 128 Cb 0.09 0.16 -0.02 0.00 0.10 0.00 0.00 66.02 66.35 2a4r s SER 128 CO 0.50 -0.39 0.94 -2.65 0.98 0.00 0.00 173.24 172.62 2a4r n PRO 129 N 5.12 0.67 -4.20 4.02 -0.02 -1.26 -5.01 135.00 134.32 2a4r n PRO 129 Ca -0.01 0.28 -0.12 0.00 -2.02 0.00 0.00 63.50 61.63 2a4r n PRO 129 Cb 0.44 -2.18 -0.10 0.00 -0.02 0.00 0.00 33.50 31.64 2a4r n PRO 129 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2a4r s ARG 130 N -3.05 0.99 0.53 -0.52 1.81 -1.14 -4.98 118.95 112.60 2a4r s ARG 130 Ca 0.75 -1.45 -0.21 0.00 -1.72 0.00 0.00 55.73 53.09 2a4r s ARG 130 Cb -0.38 -0.14 -0.05 0.00 -0.45 0.00 0.00 34.95 33.93 2a4r s ARG 130 CO 0.49 -0.12 1.26 -2.14 -0.68 0.00 0.00 175.30 174.10 2a4r s PRO 131 N -3.92 3.27 0.51 3.54 0.02 -1.26 -1.48 135.00 135.68 2a4r s PRO 131 Ca 0.20 1.98 0.18 0.00 0.02 0.00 0.00 61.00 63.38 2a4r s PRO 131 Cb 0.06 -2.21 1.25 0.00 0.02 0.00 0.00 34.50 33.63 2a4r s PRO 131 CO 0.01 -1.01 2.09 0.97 -0.33 0.00 0.00 177.00 178.73 2a4r h ILE 132 N 1.41 0.92 0.00 2.83 6.09 -1.69 -0.32 117.51 126.76 2a4r h ILE 132 Ca -0.50 -0.03 -0.02 0.00 -1.37 0.00 0.00 64.86 62.94 2a4r h ILE 132 Cb 1.28 0.84 -0.00 0.00 0.47 0.00 0.00 36.82 39.41 2a4r h ILE 132 CO 0.57 0.01 -0.10 0.77 -3.07 0.00 0.00 178.15 176.33 2a4r h SER 133 N 0.08 0.00 1.02 2.19 4.64 -1.90 -1.21 113.55 118.37 2a4r h SER 133 Ca 0.11 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.29 2a4r h SER 133 Cb 0.33 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.40 2a4r h SER 133 CO -0.01 0.10 -0.66 0.22 -0.87 0.00 0.00 176.83 175.61 2a4r h TYR 134 N 0.00 0.00 0.00 4.77 3.20 -1.41 -3.22 116.97 120.32 2a4r h TYR 134 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2a4r h TYR 134 Cb 0.26 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.53 2a4r h TYR 134 CO 0.00 0.66 -0.70 1.28 -1.64 0.00 0.00 178.16 177.76 2a4r n LEU 135 N -3.44 0.61 -4.76 2.82 4.32 -0.53 -4.90 117.00 111.12 2a4r n LEU 135 Ca 0.00 0.06 -0.41 0.00 -0.02 0.00 0.00 56.01 55.64 2a4r n LEU 135 Cb 0.73 -0.18 -0.02 0.00 -1.62 0.00 0.00 43.42 42.34 2a4r n LEU 135 CO 0.42 0.04 1.11 -0.54 -1.22 0.00 0.00 177.39 177.20 2a4r s LYS 136 N -3.11 4.24 0.00 3.23 1.02 -0.75 -2.18 119.74 122.19 2a4r s LYS 136 Ca 0.07 2.36 0.00 0.00 0.02 0.00 0.00 55.97 58.43 2a4r s LYS 136 Cb 0.15 -3.07 0.00 0.00 -0.52 0.00 0.00 37.83 34.39 2a4r s LYS 136 CO 0.74 -0.42 0.00 0.41 -0.92 0.00 0.00 175.35 175.16 2a4r n GLY 137 N 1.69 0.67 0.92 -3.33 0.00 -1.26 -4.92 105.19 98.96 2a4r n GLY 137 Ca 0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.19 2a4r n GLY 137 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2a4r n SER 138 N 0.00 2.81 -4.73 1.61 7.64 -0.93 -3.56 113.62 116.46 2a4r n SER 138 Ca 0.00 -1.90 -0.42 0.00 1.01 0.00 0.00 58.87 57.56 2a4r n SER 138 Cb 0.00 -0.11 -0.02 0.00 -1.01 0.00 0.00 64.21 63.07 2a4r n SER 138 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2a4r n SER 139 N 1.12 3.92 0.00 6.43 7.64 -1.26 -0.80 113.62 130.67 2a4r n SER 139 Ca 0.17 1.11 0.00 0.00 1.01 0.00 0.00 58.87 61.16 2a4r n SER 139 Cb 0.54 -1.59 0.00 0.00 -1.01 0.00 0.00 64.21 62.15 2a4r n SER 139 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2a4r n GLY 140 N 2.94 0.57 3.81 0.23 0.00 -0.04 -1.05 105.19 111.65 2a4r n GLY 140 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 2a4r n GLY 140 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2a4r s GLY 141 N -1.69 1.66 0.36 -0.02 0.00 0.01 -3.44 107.32 104.20 2a4r s GLY 141 Ca 0.00 0.06 -0.13 0.00 0.00 0.00 0.00 44.72 44.65 2a4r s GLY 141 CO 0.00 0.39 0.76 2.56 0.00 0.00 0.00 173.10 176.80 2a4r s PRO 142 N -5.05 3.90 -0.26 2.90 0.04 -1.26 -0.38 135.00 134.90 2a4r s PRO 142 Ca 0.59 0.59 -0.02 0.00 0.04 0.00 0.00 61.00 62.20 2a4r s PRO 142 Cb -0.14 -2.41 0.03 0.00 0.04 0.00 0.00 34.50 32.02 2a4r s PRO 142 CO 0.55 0.06 -0.05 -0.51 0.04 0.00 0.00 177.00 177.10 2a4r s LEU 143 N -3.38 3.30 0.04 -3.56 1.02 0.11 -2.06 118.68 114.15 2a4r s LEU 143 Ca 0.53 -0.90 0.00 0.00 0.02 0.00 0.00 54.13 53.78 2a4r s LEU 143 Cb -0.10 -1.68 -0.04 0.00 0.02 0.00 0.00 46.19 44.39 2a4r s LEU 143 CO 0.24 -0.14 0.14 -0.76 0.02 0.00 0.00 176.35 175.84 2a4r s LEU 144 N 1.33 4.10 0.71 1.79 1.02 -0.05 -0.38 118.68 127.20 2a4r s LEU 144 Ca -0.00 0.17 -0.04 0.00 0.02 0.00 0.00 54.13 54.28 2a4r s LEU 144 Cb -0.17 -2.61 0.09 0.00 0.02 0.00 0.00 46.19 43.52 2a4r s LEU 144 CO -0.04 0.21 1.00 0.00 0.02 0.00 0.00 176.35 177.54 2a4r h PRO 146 N -0.57 0.00 -0.01 0.00 0.11 -1.92 0.22 132.00 129.84 2a4r h PRO 146 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2a4r h PRO 146 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2a4r h PRO 146 CO 0.50 0.00 -0.25 0.00 -0.21 0.00 0.00 178.00 178.04 2a4r n ALA 147 N -1.82 3.07 -1.19 -0.75 0.00 -1.26 -4.86 120.51 113.70 2a4r n ALA 147 Ca -0.02 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.93 2a4r n ALA 147 Cb 0.35 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.77 2a4r n ALA 147 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a4r n GLY 148 N 1.33 0.78 3.63 0.00 0.00 0.07 -5.06 105.19 105.94 2a4r n GLY 148 Ca 0.13 -0.66 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 2a4r n GLY 148 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2a4r s HIS 149 N -2.00 2.97 -0.00 1.61 3.76 -1.26 -4.75 115.29 115.62 2a4r s HIS 149 Ca 0.00 0.02 -0.30 0.00 -0.15 0.00 0.00 55.06 54.63 2a4r s HIS 149 Cb 0.00 -1.65 -0.07 0.00 1.11 0.00 0.00 32.58 31.97 2a4r s HIS 149 CO 0.00 0.41 1.66 0.00 -0.85 0.00 0.00 174.74 175.95 2a4r s ALA 150 N -1.01 3.63 -0.18 -1.40 0.00 -0.68 -1.76 121.76 120.37 2a4r s ALA 150 Ca 0.17 1.05 0.09 0.00 0.00 0.00 0.00 51.96 53.27 2a4r s ALA 150 Cb -0.11 -3.73 -0.17 0.00 0.00 0.00 0.00 23.12 19.11 2a4r s ALA 150 CO 0.08 -1.28 -0.05 0.28 0.00 0.00 0.00 175.76 174.79 2a4r n VAL 151 N 5.18 1.13 -3.83 0.00 0.31 0.49 -1.07 118.33 120.54 2a4r n VAL 151 Ca 0.17 -0.58 -0.02 0.00 -0.01 0.00 0.00 64.34 63.90 2a4r n VAL 151 Cb 0.42 -0.86 0.01 0.00 -0.91 0.00 0.00 33.84 32.50 2a4r n VAL 151 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2a4r s GLY 152 N -5.41 -0.08 -0.17 2.92 0.00 -1.12 -1.17 107.32 102.29 2a4r s GLY 152 Ca -0.17 -0.02 0.00 0.00 0.00 0.00 0.00 44.72 44.54 2a4r s GLY 152 CO 0.57 2.04 -0.16 1.08 0.00 0.00 0.00 173.10 176.63 2a4r s LEU 153 N -3.30 2.39 0.19 0.66 1.02 -0.06 0.05 118.68 119.63 2a4r s LEU 153 Ca 0.20 -0.52 -0.33 0.00 0.02 0.00 0.00 54.13 53.50 2a4r s LEU 153 Cb -0.01 -1.55 -0.14 0.00 0.02 0.00 0.00 46.19 44.51 2a4r s LEU 153 CO 0.02 0.05 1.42 0.33 0.02 0.00 0.00 176.35 178.20 2a4r n PHE 154 N 4.29 2.02 0.00 0.29 7.35 0.49 -0.99 117.46 130.91 2a4r n PHE 154 Ca -0.20 0.43 0.00 0.00 -0.76 0.00 0.00 57.45 56.93 2a4r n PHE 154 Cb 0.51 -2.45 0.00 0.00 0.35 0.00 0.00 39.48 37.89 2a4r n PHE 154 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 2a4r n ARG 155 N 2.48 0.00 -3.79 -4.13 0.63 0.01 -0.86 116.66 110.99 2a4r n ARG 155 Ca 0.14 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.98 2a4r n ARG 155 Cb 0.28 -0.47 -0.07 0.00 0.45 0.00 0.00 32.46 32.66 2a4r n ARG 155 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2a4r s ALA 156 N -1.99 -0.46 -0.03 5.13 0.00 -0.69 -4.90 121.76 118.83 2a4r s ALA 156 Ca 0.00 -0.36 0.05 0.00 0.00 0.00 0.00 51.96 51.65 2a4r s ALA 156 Cb 0.00 0.47 -0.03 0.00 0.00 0.00 0.00 23.12 23.56 2a4r s ALA 156 CO 0.00 -0.50 -0.15 0.00 0.00 0.00 0.00 175.76 175.11 2a4r s ALA 157 N -3.45 2.64 -0.60 0.00 0.00 -1.26 0.70 121.76 119.79 2a4r s ALA 157 Ca 0.02 -1.03 -0.17 0.00 0.00 0.00 0.00 51.96 50.77 2a4r s ALA 157 Cb 0.03 -0.91 0.12 0.00 0.00 0.00 0.00 23.12 22.36 2a4r s ALA 157 CO -0.09 0.56 0.63 0.08 0.00 0.00 0.00 175.76 176.95 2a4r s VAL 158 N -0.78 5.04 0.24 0.00 1.01 0.45 -4.92 120.40 121.44 2a4r s VAL 158 Ca 0.12 -1.34 0.06 0.00 0.00 0.00 0.00 61.98 60.82 2a4r s VAL 158 Cb -0.11 -4.43 -0.05 0.00 0.00 0.00 0.00 36.38 31.79 2a4r s VAL 158 CO 0.02 -1.02 -0.05 0.00 0.00 0.00 0.00 175.10 174.04 2a4r s THR 160 N -3.17 0.01 -1.82 0.00 -4.23 0.11 -4.84 115.64 101.69 2a4r s THR 160 Ca 0.27 -0.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.74 2a4r s THR 160 Cb 0.04 -0.50 0.00 0.00 1.34 0.00 0.00 72.50 73.38 2a4r s THR 160 CO 0.09 -0.02 0.00 0.54 -0.54 0.00 0.00 174.62 174.69 2a4r n ARG 161 N 2.74 -1.61 -0.93 3.99 5.12 -1.26 -0.73 116.66 123.99 2a4r n ARG 161 Ca -0.14 1.02 0.00 0.00 -1.93 0.00 0.00 57.85 56.81 2a4r n ARG 161 Cb 0.57 -5.52 0.00 0.00 -1.16 0.00 0.00 32.46 26.35 2a4r n ARG 161 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2a4r n GLY 162 N -0.65 0.50 3.15 -0.13 0.00 -1.26 -5.04 105.19 101.76 2a4r n GLY 162 Ca -0.21 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.19 2a4r n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a4r s VAL 163 N -2.00 1.90 -0.08 1.61 1.01 0.09 -1.76 120.40 121.18 2a4r s VAL 163 Ca 0.00 -0.90 -0.20 0.00 0.00 0.00 0.00 61.98 60.88 2a4r s VAL 163 Cb 0.00 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 2a4r s VAL 163 CO 0.00 0.52 0.57 0.00 0.00 0.00 0.00 175.10 176.20 2a4r s ALA 164 N 0.76 3.43 -0.07 5.51 0.00 -0.55 -0.72 121.76 130.13 2a4r s ALA 164 Ca -0.09 -0.04 0.02 0.00 0.00 0.00 0.00 51.96 51.85 2a4r s ALA 164 Cb -0.16 -2.77 -0.03 0.00 0.00 0.00 0.00 23.12 20.17 2a4r s ALA 164 CO 0.00 0.01 0.08 0.36 0.00 0.00 0.00 175.76 176.21 2a4r n LYS 165 N 3.49 3.70 -4.01 0.00 0.00 -0.42 -2.87 118.16 118.04 2a4r n LYS 165 Ca -0.05 -0.01 -0.09 0.00 -0.00 0.00 0.00 58.31 58.16 2a4r n LYS 165 Cb 0.51 -0.79 -0.08 0.00 -0.00 0.00 0.00 35.03 34.67 2a4r n LYS 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2a4r s ALA 166 N -1.61 0.27 0.01 0.58 0.00 -1.10 -0.28 121.76 119.62 2a4r s ALA 166 Ca 0.00 -1.05 0.02 0.00 0.00 0.00 0.00 51.96 50.94 2a4r s ALA 166 Cb 0.02 0.75 -0.01 0.00 0.00 0.00 0.00 23.12 23.87 2a4r s ALA 166 CO 0.10 -0.55 -0.07 0.14 0.00 0.00 0.00 175.76 175.38 2a4r s VAL 167 N -3.97 0.51 -0.17 0.00 -7.23 0.03 -0.41 120.40 109.15 2a4r s VAL 167 Ca 0.16 -0.44 -0.09 0.00 -1.81 0.00 0.00 61.98 59.81 2a4r s VAL 167 Cb 0.05 -0.46 -0.05 0.00 0.56 0.00 0.00 36.38 36.48 2a4r s VAL 167 CO -0.02 0.03 0.11 -0.62 -0.31 0.00 0.00 175.10 174.29 2a4r s ASP 168 N -0.45 6.11 0.15 4.85 2.15 0.22 -2.39 116.67 127.31 2a4r s ASP 168 Ca -0.00 0.26 0.01 0.00 0.43 0.00 0.00 52.55 53.25 2a4r s ASP 168 Cb -0.04 -2.04 -0.04 0.00 -0.30 0.00 0.00 42.92 40.50 2a4r s ASP 168 CO -0.00 0.24 0.01 0.72 -0.17 0.00 0.00 175.17 175.97 2a4r s PHE 169 N -0.02 1.08 -0.41 -5.34 -0.12 -0.80 -0.81 117.98 111.56 2a4r s PHE 169 Ca 0.09 -1.06 -0.16 0.00 -0.05 0.00 0.00 56.93 55.74 2a4r s PHE 169 Cb -0.11 -0.62 0.02 0.00 -0.63 0.00 0.00 43.02 41.67 2a4r s PHE 169 CO -0.00 -0.28 0.39 0.42 -0.05 0.00 0.00 175.22 175.69 2a4r s ILE 170 N -3.76 5.15 0.48 -4.49 1.01 -0.17 -4.63 121.20 114.80 2a4r s ILE 170 Ca 0.22 -0.40 -0.23 0.00 0.00 0.00 0.00 60.65 60.24 2a4r s ILE 170 Cb 0.06 -3.99 -0.07 0.00 0.01 0.00 0.00 42.46 38.48 2a4r s ILE 170 CO 0.02 -0.36 1.27 -2.84 0.00 0.00 0.00 174.94 173.04 2a4r s PRO 171 N 1.99 3.55 0.57 2.79 0.02 -1.26 -0.88 135.00 141.78 2a4r s PRO 171 Ca 0.10 2.05 0.28 0.00 0.02 0.00 0.00 61.00 63.45 2a4r s PRO 171 Cb -0.18 -2.42 1.51 0.00 0.02 0.00 0.00 34.50 33.43 2a4r s PRO 171 CO 0.12 -0.80 1.97 -0.39 -0.33 0.00 0.00 177.00 177.57 2a4r h VAL 172 N 1.82 0.48 -0.92 3.83 -1.51 -1.46 -0.83 116.25 117.67 2a4r h VAL 172 Ca -0.50 0.00 0.10 0.00 -1.23 0.00 0.00 66.70 65.07 2a4r h VAL 172 Cb 1.27 0.70 -0.07 0.00 -2.13 0.00 0.00 31.29 31.06 2a4r h VAL 172 CO 0.59 0.00 0.59 1.05 -1.23 0.00 0.00 177.57 178.58 2a4r h GLU 173 N 0.00 0.90 0.00 5.19 9.09 -1.90 0.25 114.58 128.11 2a4r h GLU 173 Ca 0.20 -0.05 -0.01 0.00 0.05 0.00 0.00 59.36 59.54 2a4r h GLU 173 Cb 0.99 -0.20 -0.00 0.00 -1.65 0.00 0.00 28.75 27.89 2a4r h GLU 173 CO -0.00 0.59 -0.05 -0.91 0.05 0.00 0.00 179.01 178.69 2a4r h ASN 174 N 0.93 0.00 0.08 3.06 4.21 -1.51 -1.84 115.58 120.51 2a4r h ASN 174 Ca 0.43 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.93 2a4r h ASN 174 Cb 0.40 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.60 2a4r h ASN 174 CO -0.19 0.05 -0.04 -0.07 -1.29 0.00 0.00 177.43 175.89 2a4r h LEU 175 N 0.00 -0.09 -1.12 1.61 4.07 -0.61 -0.78 115.31 118.38 2a4r h LEU 175 Ca -0.00 -0.48 0.04 0.00 0.08 0.00 0.00 57.88 57.52 2a4r h LEU 175 Cb 0.40 0.02 -0.05 0.00 1.08 0.00 0.00 40.66 42.11 2a4r h LEU 175 CO 0.01 0.47 0.60 -0.33 -1.08 0.00 0.00 178.44 178.10 2a4r h GLU 176 N -0.69 1.09 -0.22 1.13 3.07 -1.11 -0.14 114.58 117.71 2a4r h GLU 176 Ca -0.01 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 58.76 2a4r h GLU 176 Cb 0.56 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 28.21 2a4r h GLU 176 CO 0.02 0.72 0.06 1.15 -1.40 0.00 0.00 179.01 179.56 2a4r h THR 177 N 1.12 1.20 -0.64 1.13 2.02 -1.35 -2.44 112.91 113.96 2a4r h THR 177 Ca 0.37 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 66.90 2a4r h THR 177 Cb 0.05 1.22 -0.03 0.00 -1.74 0.00 0.00 68.15 67.65 2a4r h THR 177 CO -0.12 0.21 0.40 0.74 0.37 0.00 0.00 175.52 177.12 2a4r h THR 178 N 0.17 1.17 -0.43 3.16 2.02 -0.34 -2.33 112.91 116.34 2a4r h THR 178 Ca 0.07 -0.36 -0.08 0.00 0.77 0.00 0.00 66.41 66.80 2a4r h THR 178 Cb 0.26 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 2a4r h THR 178 CO -0.00 0.18 -0.08 0.24 0.37 0.00 0.00 175.52 176.23 2a4r h MET 179 N 0.87 0.74 -0.38 6.66 2.07 -0.74 -1.93 114.93 122.22 2a4r h MET 179 Ca 0.23 -0.22 0.00 0.00 -2.07 0.00 0.00 59.70 57.64 2a4r h MET 179 Cb -0.06 -0.07 0.00 0.00 -1.87 0.00 0.00 31.60 29.60 2a4r h MET 179 CO -0.05 0.80 0.00 2.89 1.07 0.00 0.00 176.91 181.62 2a4r n ARG 180 N -4.19 1.85 0.00 1.72 1.85 -0.92 -5.11 116.66 111.86 2a4r n ARG 180 Ca 0.02 -1.15 0.00 0.00 -1.00 0.00 0.00 57.85 55.71 2a4r n ARG 180 Cb 0.34 -1.32 0.00 0.00 -1.05 0.00 0.00 32.46 30.43 2a4r n ARG 180 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05