#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r2t n SER 3 N 0.00 -2.66 -4.67 2.55 3.41 -1.26 -5.14 113.62 105.85 1r2t n SER 3 Ca 0.00 -0.04 -0.43 0.00 -0.26 0.00 0.00 58.87 58.14 1r2t n SER 3 Cb 0.00 -0.87 -0.02 0.00 -0.26 0.00 0.00 64.21 63.06 1r2t n SER 3 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1r2t s ARG 4 N -3.06 4.30 0.08 4.33 0.52 -1.26 -5.00 118.95 118.86 1r2t s ARG 4 Ca 0.51 1.33 -0.31 0.00 -0.52 0.00 0.00 55.73 56.75 1r2t s ARG 4 Cb -0.08 -3.61 -0.09 0.00 0.52 0.00 0.00 34.95 31.69 1r2t s ARG 4 CO 0.67 -0.52 1.81 0.21 0.02 0.00 0.00 175.30 177.48 1r2t s LYS 5 N 2.80 4.16 0.27 3.54 2.20 -1.26 -4.95 119.74 126.49 1r2t s LYS 5 Ca 0.45 2.51 -0.30 0.00 -0.36 0.00 0.00 55.97 58.26 1r2t s LYS 5 Cb -0.16 -3.76 -0.13 0.00 -1.51 0.00 0.00 37.83 32.27 1r2t s LYS 5 CO 0.10 -0.84 1.36 0.34 -0.36 0.00 0.00 175.35 175.94 1r2t n PHE 6 N 6.21 2.15 -4.03 4.03 7.35 -1.21 -4.84 117.46 127.12 1r2t n PHE 6 Ca 0.18 0.48 -0.24 0.00 -0.76 0.00 0.00 57.45 57.11 1r2t n PHE 6 Cb 0.40 -2.44 -0.17 0.00 0.35 0.00 0.00 39.48 37.62 1r2t n PHE 6 CO 0.00 0.00 0.00 0.12 -0.76 0.00 0.00 176.76 176.12 1r2t s PHE 7 N -0.36 1.08 -0.22 -5.13 5.36 -0.43 -0.44 117.98 117.84 1r2t s PHE 7 Ca 0.65 -0.42 0.00 0.00 -0.96 0.00 0.00 56.93 56.19 1r2t s PHE 7 Cb -0.63 -0.95 0.06 0.00 -0.34 0.00 0.00 43.02 41.15 1r2t s PHE 7 CO 0.53 -0.35 -0.05 0.08 -1.46 0.00 0.00 175.22 173.97 1r2t s VAL 8 N 1.43 1.41 -0.11 3.12 1.01 0.21 -1.16 120.40 126.31 1r2t s VAL 8 Ca -0.02 -1.06 -0.04 0.00 0.00 0.00 0.00 61.98 60.86 1r2t s VAL 8 Cb -0.13 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 1r2t s VAL 8 CO -0.04 -0.04 0.03 -0.83 0.00 0.00 0.00 175.10 174.23 1r2t s GLY 9 N 1.46 1.90 -0.34 4.51 0.00 0.12 -1.31 107.32 113.66 1r2t s GLY 9 Ca -0.04 -0.77 -0.05 0.00 0.00 0.00 0.00 44.72 43.86 1r2t s GLY 9 CO -0.07 -0.40 0.10 -0.32 0.00 0.00 0.00 173.10 172.41 1r2t s GLY 10 N -0.62 1.85 -0.54 0.20 0.00 0.14 0.65 107.32 108.99 1r2t s GLY 10 Ca 0.11 -1.84 -0.19 0.00 0.00 0.00 0.00 44.72 42.79 1r2t s GLY 10 CO 0.02 0.79 0.68 0.21 0.00 0.00 0.00 173.10 174.80 1r2t s ASN 11 N 1.46 6.22 0.05 1.64 2.47 0.14 -0.26 114.94 126.67 1r2t s ASN 11 Ca -0.01 -1.03 0.24 0.00 0.42 0.00 0.00 52.86 52.48 1r2t s ASN 11 Cb -0.20 -2.31 0.99 0.00 -1.45 0.00 0.00 41.25 38.28 1r2t s ASN 11 CO 0.01 -1.00 1.77 0.79 -3.72 0.00 0.00 177.10 174.96 1r2t n TRP 12 N 6.35 0.22 -2.73 0.43 8.01 -0.78 -4.49 117.44 124.44 1r2t n TRP 12 Ca -0.07 0.07 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 1r2t n TRP 12 Cb 0.45 -0.61 0.00 0.00 -2.01 0.00 0.00 31.31 29.13 1r2t n TRP 12 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1r2t n LYS 13 N -1.68 0.00 -2.77 -0.99 5.02 -1.26 -3.17 118.16 113.31 1r2t n LYS 13 Ca 0.05 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.92 1r2t n LYS 13 Cb 0.30 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.32 1r2t n LYS 13 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 1r2t n MET 14 N 7.72 4.13 -3.91 1.97 1.56 -1.26 -3.88 117.12 123.46 1r2t n MET 14 Ca 0.00 -4.17 -0.11 0.00 -0.27 0.00 0.00 57.70 53.15 1r2t n MET 14 Cb 0.00 -2.67 -0.12 0.00 2.15 0.00 0.00 33.22 32.58 1r2t n MET 14 CO 0.00 0.00 0.00 -0.80 -0.73 0.00 0.00 175.97 174.44 1r2t s ASN 15 N -0.66 0.08 0.00 6.12 0.01 -1.19 -5.11 114.94 114.18 1r2t s ASN 15 Ca 0.34 -0.19 0.00 0.00 -0.71 0.00 0.00 52.86 52.30 1r2t s ASN 15 Cb 0.06 0.11 0.00 0.00 0.41 0.00 0.00 41.25 41.83 1r2t s ASN 15 CO 0.06 -0.18 0.00 0.61 -1.51 0.00 0.00 177.10 176.09 1r2t n GLY 16 N 2.25 2.37 3.56 0.66 0.00 -1.26 -4.67 105.19 108.10 1r2t n GLY 16 Ca -0.18 -1.87 -0.27 0.00 0.00 0.00 0.00 46.02 43.69 1r2t n GLY 16 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r2t s ARG 17 N -3.22 1.99 0.32 1.61 1.81 -1.26 -4.98 118.95 115.22 1r2t s ARG 17 Ca 0.00 -2.23 0.00 0.00 -1.72 0.00 0.00 55.73 51.79 1r2t s ARG 17 Cb 0.00 -0.79 0.54 0.00 -0.45 0.00 0.00 34.95 34.25 1r2t s ARG 17 CO 0.00 -0.46 1.97 0.87 -0.68 0.00 0.00 175.30 177.00 1r2t h LYS 18 N 1.69 0.96 0.59 3.54 1.57 -1.99 -1.02 116.57 121.92 1r2t h LYS 18 Ca -0.37 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.32 1r2t h LYS 18 Cb 1.28 -0.22 0.01 0.00 0.08 0.00 0.00 32.23 33.38 1r2t h LYS 18 CO 0.60 0.64 -0.28 -0.22 -0.57 0.00 0.00 179.45 179.61 1r2t h LYS 19 N 0.99 -0.76 0.00 3.15 3.64 -1.98 0.89 116.57 122.50 1r2t h LYS 19 Ca 0.29 0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.65 1r2t h LYS 19 Cb -0.04 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1r2t h LYS 19 CO -0.07 -0.51 -0.34 -2.95 -2.27 0.00 0.00 179.45 173.30 1r2t h ASN 20 N -0.96 0.00 0.38 4.20 7.08 -1.97 -1.91 115.58 122.39 1r2t h ASN 20 Ca -0.08 0.00 -0.19 0.00 -3.08 0.00 0.00 56.30 52.95 1r2t h ASN 20 Cb 0.61 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.84 1r2t h ASN 20 CO 0.13 0.34 -0.79 -0.07 -2.08 0.00 0.00 177.43 174.96 1r2t h LEU 21 N 0.00 0.40 -1.21 6.14 3.38 -1.25 -1.67 115.31 121.09 1r2t h LEU 21 Ca -0.00 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.66 1r2t h LEU 21 Cb 0.78 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 1r2t h LEU 21 CO 0.04 1.04 0.22 1.23 0.09 0.00 0.00 178.44 181.07 1r2t h GLY 22 N 1.46 0.83 0.92 0.83 0.00 -0.43 0.27 103.07 106.94 1r2t h GLY 22 Ca -0.04 -0.40 -0.14 0.00 0.00 0.00 0.00 47.33 46.74 1r2t h GLY 22 CO 0.13 0.39 -0.47 -2.09 0.00 0.00 0.00 176.54 174.49 1r2t h GLU 23 N 0.77 0.58 -0.59 4.80 4.57 -1.30 -2.01 114.58 121.40 1r2t h GLU 23 Ca 0.19 -0.43 0.06 0.00 -1.18 0.00 0.00 59.36 58.00 1r2t h GLU 23 Cb 0.14 0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 28.75 1r2t h GLU 23 CO -0.02 1.05 0.29 1.25 -1.18 0.00 0.00 179.01 180.40 1r2t h LEU 24 N 0.23 0.39 -0.68 1.64 6.46 -1.03 -1.73 115.31 120.59 1r2t h LEU 24 Ca -0.02 0.04 -0.07 0.00 -0.12 0.00 0.00 57.88 57.72 1r2t h LEU 24 Cb 1.10 -0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.97 1r2t h LEU 24 CO 0.10 0.26 0.16 0.40 -0.62 0.00 0.00 178.44 178.73 1r2t h ILE 25 N 0.54 1.26 -0.99 4.05 2.04 -0.91 -1.27 117.51 122.23 1r2t h ILE 25 Ca 0.27 -0.97 0.02 0.00 1.00 0.00 0.00 64.86 65.18 1r2t h ILE 25 Cb 0.22 0.58 -0.05 0.00 -0.74 0.00 0.00 36.82 36.83 1r2t h ILE 25 CO -0.21 0.37 0.66 0.74 0.00 0.00 0.00 178.15 179.71 1r2t h THR 26 N 1.03 1.22 -0.58 -0.27 2.02 -1.11 0.15 112.91 115.37 1r2t h THR 26 Ca 0.21 -0.45 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 1r2t h THR 26 Cb 0.38 -0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 66.56 1r2t h THR 26 CO 0.00 0.24 0.35 0.74 0.37 0.00 0.00 175.52 177.23 1r2t h THR 27 N 1.31 1.17 -0.21 3.16 2.02 -0.67 -2.83 112.91 116.86 1r2t h THR 27 Ca 0.38 -0.37 -0.13 0.00 0.77 0.00 0.00 66.41 67.05 1r2t h THR 27 Cb -0.09 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 66.69 1r2t h THR 27 CO -0.10 0.17 -0.39 -0.07 0.37 0.00 0.00 175.52 175.50 1r2t h LEU 28 N 0.78 0.71 -1.24 2.58 3.38 -0.49 -2.47 115.31 118.56 1r2t h LEU 28 Ca 0.21 -0.54 0.16 0.00 0.09 0.00 0.00 57.88 57.80 1r2t h LEU 28 Cb -0.03 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 40.44 1r2t h LEU 28 CO -0.04 1.11 0.60 0.78 0.09 0.00 0.00 178.44 180.98 1r2t h ASN 29 N 0.32 0.67 1.64 -0.43 2.35 -0.77 -2.29 115.58 117.08 1r2t h ASN 29 Ca 0.01 0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 1r2t h ASN 29 Cb 0.99 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 39.28 1r2t h ASN 29 CO 0.09 0.30 -0.36 0.00 -1.65 0.00 0.00 177.43 175.81 1r2t h ALA 30 N 1.60 0.82 -2.90 -0.83 0.00 -1.36 -3.46 119.26 113.14 1r2t h ALA 30 Ca 0.49 -0.09 -0.53 0.00 0.00 0.00 0.00 54.91 54.78 1r2t h ALA 30 Cb 0.83 0.00 0.09 0.00 0.00 0.00 0.00 17.79 18.72 1r2t h ALA 30 CO -0.25 0.11 0.66 0.00 0.00 0.00 0.00 179.25 179.77 1r2t s ALA 31 N -3.21 3.35 -0.46 0.00 0.00 -0.86 -4.98 121.76 115.60 1r2t s ALA 31 Ca 0.04 1.33 -0.22 0.00 0.00 0.00 0.00 51.96 53.11 1r2t s ALA 31 Cb 0.07 -3.52 0.03 0.00 0.00 0.00 0.00 23.12 19.69 1r2t s ALA 31 CO 0.71 -0.89 0.74 0.15 0.00 0.00 0.00 175.76 176.48 1r2t s LYS 32 N -2.17 3.33 -0.17 0.00 1.02 -1.26 -5.00 119.74 115.48 1r2t s LYS 32 Ca 0.55 -0.27 -0.17 0.00 0.02 0.00 0.00 55.97 56.10 1r2t s LYS 32 Cb -0.41 -3.97 -0.04 0.00 -0.52 0.00 0.00 37.83 32.90 1r2t s LYS 32 CO 0.53 -1.13 0.46 0.14 -0.92 0.00 0.00 175.35 174.43 1r2t s VAL 33 N 3.15 5.17 0.69 3.17 -7.23 -1.26 -4.97 120.40 119.12 1r2t s VAL 33 Ca 0.26 0.86 -0.17 0.00 -1.81 0.00 0.00 61.98 61.13 1r2t s VAL 33 Cb -0.13 -3.79 0.02 0.00 0.56 0.00 0.00 36.38 33.03 1r2t s VAL 33 CO 0.20 0.25 1.26 -2.84 -0.31 0.00 0.00 175.10 173.67 1r2t s PRO 34 N 1.18 2.28 0.30 4.82 0.02 -1.26 -4.91 135.00 137.43 1r2t s PRO 34 Ca 0.23 1.95 0.01 0.00 0.02 0.00 0.00 61.00 63.21 1r2t s PRO 34 Cb -0.15 -1.83 0.46 0.00 0.02 0.00 0.00 34.50 33.01 1r2t s PRO 34 CO 0.09 -1.77 1.82 0.00 -0.33 0.00 0.00 177.00 176.81 1r2t h ALA 35 N 0.10 1.24 0.00 -1.55 0.00 -2.01 -2.62 119.26 114.42 1r2t h ALA 35 Ca -0.49 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.19 1r2t h ALA 35 Cb 1.32 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1r2t h ALA 35 CO 0.51 0.51 0.00 -0.40 0.00 0.00 0.00 179.25 179.87 1r2t n ASP 36 N -4.25 0.00 -4.33 0.00 5.68 -1.26 -4.75 116.55 107.64 1r2t n ASP 36 Ca 0.02 -0.69 -0.33 0.00 -0.50 0.00 0.00 54.79 53.30 1r2t n ASP 36 Cb 0.27 -0.04 -0.15 0.00 -1.14 0.00 0.00 41.12 40.06 1r2t n ASP 36 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1r2t s THR 37 N -2.08 2.72 -0.28 2.12 2.01 -0.99 -3.36 115.64 115.79 1r2t s THR 37 Ca 0.36 -0.79 -0.11 0.00 0.31 0.00 0.00 61.69 61.47 1r2t s THR 37 Cb 0.17 -2.11 -0.05 0.00 0.01 0.00 0.00 72.50 70.53 1r2t s THR 37 CO 0.30 0.54 0.18 -0.70 -0.69 0.00 0.00 174.62 174.25 1r2t s GLU 38 N 0.25 3.89 -0.12 4.92 2.12 0.42 -4.77 118.70 125.41 1r2t s GLU 38 Ca -0.12 -0.36 0.01 0.00 0.36 0.00 0.00 54.97 54.87 1r2t s GLU 38 Cb -0.16 -3.62 -0.01 0.00 0.26 0.00 0.00 34.13 30.60 1r2t s GLU 38 CO 0.06 -0.20 -0.17 0.08 -0.54 0.00 0.00 175.26 174.50 1r2t s VAL 39 N 1.74 2.70 -0.01 3.70 1.01 -1.26 -0.62 120.40 127.66 1r2t s VAL 39 Ca 0.07 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.28 1r2t s VAL 39 Cb -0.16 -2.10 -0.00 0.00 0.00 0.00 0.00 36.38 34.11 1r2t s VAL 39 CO 0.10 0.54 -0.07 -0.69 0.00 0.00 0.00 175.10 174.98 1r2t s VAL 40 N 0.37 0.55 -0.09 2.92 1.01 -0.43 -1.31 120.40 123.43 1r2t s VAL 40 Ca -0.13 -0.27 0.05 0.00 0.00 0.00 0.00 61.98 61.62 1r2t s VAL 40 Cb -0.17 -0.47 -0.00 0.00 0.00 0.00 0.00 36.38 35.74 1r2t s VAL 40 CO 0.06 0.16 -0.24 0.00 0.00 0.00 0.00 175.10 175.09 1r2t s ALA 42 N 0.19 3.40 0.74 0.00 0.00 0.65 -0.98 121.76 125.77 1r2t s ALA 42 Ca -0.14 -2.89 -0.12 0.00 0.00 0.00 0.00 51.96 48.81 1r2t s ALA 42 Cb -0.17 -2.61 0.04 0.00 0.00 0.00 0.00 23.12 20.39 1r2t s ALA 42 CO 0.07 -1.97 1.11 -1.25 0.00 0.00 0.00 175.76 173.73 1r2t s PRO 43 N 0.59 2.54 0.51 0.00 0.04 -1.24 -1.86 135.00 135.57 1r2t s PRO 43 Ca 0.12 0.45 -0.22 0.00 0.04 0.00 0.00 61.00 61.39 1r2t s PRO 43 Cb -0.22 -1.99 -0.07 0.00 0.04 0.00 0.00 34.50 32.27 1r2t s PRO 43 CO -0.04 -1.26 1.10 -2.30 0.04 0.00 0.00 177.00 174.54 1r2t n PRO 44 N -3.16 1.35 -0.20 0.56 -0.02 -1.25 -4.40 135.00 127.88 1r2t n PRO 44 Ca 0.07 0.49 0.19 0.00 -2.02 0.00 0.00 63.50 62.23 1r2t n PRO 44 Cb 0.58 -2.25 0.54 0.00 -0.02 0.00 0.00 33.50 32.35 1r2t n PRO 44 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1r2t h THR 45 N 1.22 0.71 0.00 3.45 2.02 -1.95 0.78 112.91 119.13 1r2t h THR 45 Ca -0.48 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 66.58 1r2t h THR 45 Cb 1.33 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 1r2t h THR 45 CO 0.55 0.06 0.00 0.00 0.37 0.00 0.00 175.52 176.50 1r2t n ALA 46 N -2.54 1.68 -0.70 6.16 0.00 -1.26 -3.33 120.51 120.52 1r2t n ALA 46 Ca 0.17 -0.01 0.05 0.00 0.00 0.00 0.00 53.44 53.66 1r2t n ALA 46 Cb 0.66 -1.29 0.07 0.00 0.00 0.00 0.00 19.45 18.89 1r2t n ALA 46 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1r2t n TYR 47 N -1.75 0.00 -0.03 0.00 4.01 0.26 -4.74 117.16 114.91 1r2t n TYR 47 Ca 0.03 -0.71 -0.10 0.00 -0.16 0.00 0.00 57.90 56.96 1r2t n TYR 47 Cb 0.19 -0.10 -0.04 0.00 -0.31 0.00 0.00 39.34 39.08 1r2t n TYR 47 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 1r2t h ILE 48 N 0.48 1.03 0.04 -0.72 2.04 -1.54 -0.45 117.51 118.39 1r2t h ILE 48 Ca 0.00 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 1r2t h ILE 48 Cb 0.82 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 1r2t h ILE 48 CO 0.00 0.04 -0.02 -0.78 0.00 0.00 0.00 178.15 177.39 1r2t h ASP 49 N 0.20 -0.04 -0.23 1.72 3.58 -1.85 -1.72 116.42 118.08 1r2t h ASP 49 Ca 0.06 -0.23 0.06 0.00 0.42 0.00 0.00 57.03 57.34 1r2t h ASP 49 Cb -0.01 0.01 -0.06 0.00 1.72 0.00 0.00 39.33 40.98 1r2t h ASP 49 CO -0.02 0.20 -0.19 0.15 -2.88 0.00 0.00 179.24 176.51 1r2t h PHE 50 N -0.29 -0.48 -0.74 0.28 3.57 -1.84 -1.94 116.94 115.49 1r2t h PHE 50 Ca -0.01 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 1r2t h PHE 50 Cb 0.27 0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.22 1r2t h PHE 50 CO 0.01 -0.26 0.27 0.00 -2.23 0.00 0.00 178.31 176.09 1r2t h ALA 51 N 0.93 0.97 -0.76 2.41 0.00 -1.02 -2.04 119.26 119.75 1r2t h ALA 51 Ca 0.13 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1r2t h ALA 51 Cb 0.39 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1r2t h ALA 51 CO -0.34 0.62 0.32 -0.09 0.00 0.00 0.00 179.25 179.75 1r2t h ARG 52 N 1.08 1.12 -0.56 0.00 9.65 -1.15 0.32 114.38 124.85 1r2t h ARG 52 Ca 0.24 -0.19 -0.09 0.00 -1.10 0.00 0.00 59.98 58.85 1r2t h ARG 52 Cb 0.25 -0.19 -0.02 0.00 -1.39 0.00 0.00 29.97 28.62 1r2t h ARG 52 CO -0.01 0.89 0.00 1.96 2.80 0.00 0.00 179.97 185.61 1r2t h GLN 53 N 1.09 0.99 0.00 0.20 4.20 -1.03 -3.30 115.11 117.26 1r2t h GLN 53 Ca 0.26 -0.31 -0.20 0.00 0.06 0.00 0.00 58.65 58.45 1r2t h GLN 53 Cb 0.18 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 1r2t h GLN 53 CO -0.02 0.98 -1.22 0.87 -0.67 0.00 0.00 178.83 178.77 1r2t h LYS 54 N 0.87 0.00 -6.70 1.46 1.79 -1.03 -3.46 116.57 109.50 1r2t h LYS 54 Ca 0.16 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 58.12 1r2t h LYS 54 Cb 0.54 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.18 1r2t h LYS 54 CO 0.03 0.56 0.41 -0.51 -1.08 0.00 0.00 179.45 178.86 1r2t s LEU 55 N -6.22 4.56 0.37 2.94 1.43 0.11 -4.91 118.68 116.95 1r2t s LEU 55 Ca -0.01 2.02 -0.27 0.00 -1.03 0.00 0.00 54.13 54.84 1r2t s LEU 55 Cb 0.09 -3.61 -0.12 0.00 0.03 0.00 0.00 46.19 42.58 1r2t s LEU 55 CO 0.81 -0.05 1.29 -0.67 0.23 0.00 0.00 176.35 177.96 1r2t n ASP 56 N 1.91 2.72 0.18 2.29 -0.08 -1.26 -4.89 116.55 117.42 1r2t n ASP 56 Ca 0.00 1.18 0.18 0.00 -1.51 0.00 0.00 54.79 54.65 1r2t n ASP 56 Cb 0.47 -1.49 0.80 0.00 2.34 0.00 0.00 41.12 43.24 1r2t n ASP 56 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1r2t h PRO 57 N 2.43 0.00 -0.06 -0.67 0.10 -1.95 -2.09 132.00 129.76 1r2t h PRO 57 Ca -0.47 0.00 0.02 0.00 0.10 0.00 0.00 66.00 65.65 1r2t h PRO 57 Cb 1.29 0.00 -0.00 0.00 0.10 0.00 0.00 31.00 32.38 1r2t h PRO 57 CO 0.62 0.00 0.07 0.87 0.10 0.00 0.00 178.00 179.66 1r2t h LYS 58 N 0.00 0.00 -5.26 1.05 1.57 -1.98 -3.40 116.57 108.56 1r2t h LYS 58 Ca 0.12 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.28 1r2t h LYS 58 Cb 0.77 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 32.90 1r2t h LYS 58 CO -0.00 0.00 -0.59 0.42 -0.57 0.00 0.00 179.45 178.71 1r2t s ILE 59 N -4.59 4.59 0.45 1.86 1.01 -0.79 -4.62 121.20 119.11 1r2t s ILE 59 Ca -0.05 -0.10 -0.06 0.00 0.00 0.00 0.00 60.65 60.44 1r2t s ILE 59 Cb 0.15 -3.07 -0.04 0.00 0.01 0.00 0.00 42.46 39.51 1r2t s ILE 59 CO 0.53 0.46 0.76 0.00 0.00 0.00 0.00 174.94 176.69 1r2t s ALA 60 N 0.46 3.41 -0.06 9.38 0.00 -0.42 -4.81 121.76 129.72 1r2t s ALA 60 Ca 0.02 -0.46 0.02 0.00 0.00 0.00 0.00 51.96 51.55 1r2t s ALA 60 Cb -0.13 -2.58 -0.03 0.00 0.00 0.00 0.00 23.12 20.38 1r2t s ALA 60 CO 0.01 -0.23 -0.11 0.08 0.00 0.00 0.00 175.76 175.50 1r2t s VAL 61 N -2.61 3.30 0.02 0.00 1.01 -1.26 -1.14 120.40 119.72 1r2t s VAL 61 Ca 0.48 -0.63 0.07 0.00 0.00 0.00 0.00 61.98 61.89 1r2t s VAL 61 Cb -0.10 -2.32 -0.02 0.00 0.00 0.00 0.00 36.38 33.94 1r2t s VAL 61 CO 0.41 0.59 -0.20 0.00 0.00 0.00 0.00 175.10 175.90 1r2t s ALA 62 N -0.74 1.66 0.55 5.51 0.00 -0.15 -1.22 121.76 127.37 1r2t s ALA 62 Ca 0.11 -0.97 -0.14 0.00 0.00 0.00 0.00 51.96 50.97 1r2t s ALA 62 Cb -0.11 -0.35 -0.06 0.00 0.00 0.00 0.00 23.12 22.60 1r2t s ALA 62 CO 0.01 0.38 0.99 0.00 0.00 0.00 0.00 175.76 177.14 1r2t s ALA 63 N -0.69 3.10 -1.20 0.00 0.00 -0.35 -3.69 121.76 118.93 1r2t s ALA 63 Ca 0.07 0.03 0.26 0.00 0.00 0.00 0.00 51.96 52.32 1r2t s ALA 63 Cb -0.08 -3.07 0.63 0.00 0.00 0.00 0.00 23.12 20.60 1r2t s ALA 63 CO 0.01 -0.42 1.49 1.04 0.00 0.00 0.00 175.76 177.88 1r2t n GLN 64 N -2.07 0.22 -3.60 0.00 6.02 -1.26 -0.64 117.38 116.04 1r2t n GLN 64 Ca 0.06 -0.12 -0.03 0.00 -0.01 0.00 0.00 57.00 56.90 1r2t n GLN 64 Cb 0.54 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.29 1r2t n GLN 64 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1r2t s ASN 65 N -2.87 -0.13 0.31 1.08 2.47 -1.20 -4.49 114.94 110.11 1r2t s ASN 65 Ca 0.15 -0.04 -0.18 0.00 0.42 0.00 0.00 52.86 53.21 1r2t s ASN 65 Cb 0.18 0.17 0.03 0.00 -1.45 0.00 0.00 41.25 40.17 1r2t s ASN 65 CO 0.64 -0.28 0.70 0.00 -3.72 0.00 0.00 177.10 174.44 1r2t n TYR 67 N -0.47 -2.49 -0.31 0.00 9.36 0.63 -4.94 117.16 118.93 1r2t n TYR 67 Ca -0.05 -1.21 0.07 0.00 3.32 0.00 0.00 57.90 60.04 1r2t n TYR 67 Cb 0.60 -0.31 0.21 0.00 -0.63 0.00 0.00 39.34 39.21 1r2t n TYR 67 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 1r2t n LYS 68 N -1.68 2.91 -3.98 2.98 2.85 -1.26 -4.58 118.16 115.40 1r2t n LYS 68 Ca 0.09 -2.30 -0.08 0.00 -1.05 0.00 0.00 58.31 54.96 1r2t n LYS 68 Cb 0.34 -1.42 -0.09 0.00 -0.65 0.00 0.00 35.03 33.21 1r2t n LYS 68 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1r2t s VAL 69 N -1.20 0.16 0.15 0.58 0.11 -1.26 -4.81 120.40 114.13 1r2t s VAL 69 Ca 0.32 -1.32 0.02 0.00 -2.93 0.00 0.00 61.98 58.07 1r2t s VAL 69 Cb 0.18 -1.08 -0.17 0.00 -1.53 0.00 0.00 36.38 33.78 1r2t s VAL 69 CO 0.19 -0.73 1.35 0.00 -3.33 0.00 0.00 175.10 172.58 1r2t h THR 70 N 3.49 1.51 -3.51 5.04 1.03 -1.99 -3.43 112.91 115.05 1r2t h THR 70 Ca -0.33 -2.72 -0.06 0.00 -0.01 0.00 0.00 66.41 63.29 1r2t h THR 70 Cb 1.17 2.54 -0.13 0.00 -1.07 0.00 0.00 68.15 70.66 1r2t h THR 70 CO 0.55 0.79 -0.15 0.20 -0.01 0.00 0.00 175.52 176.90 1r2t s ASN 71 N -6.93 -0.14 0.00 0.00 0.01 -1.26 -4.71 114.94 101.91 1r2t s ASN 71 Ca -0.03 -0.42 0.00 0.00 -0.71 0.00 0.00 52.86 51.71 1r2t s ASN 71 Cb 0.10 0.44 0.00 0.00 0.41 0.00 0.00 41.25 42.20 1r2t s ASN 71 CO 0.83 -0.82 0.00 0.61 -1.51 0.00 0.00 177.10 176.21 1r2t n GLY 72 N -0.18 -0.10 2.77 0.66 0.00 -1.26 -5.01 105.19 102.07 1r2t n GLY 72 Ca -0.16 -1.39 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 1r2t n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r2t n ALA 73 N -1.03 5.49 -3.21 4.61 0.00 -1.26 -4.64 120.51 120.47 1r2t n ALA 73 Ca 0.00 -4.02 -0.23 0.00 0.00 0.00 0.00 53.44 49.19 1r2t n ALA 73 Cb 0.00 -3.36 -0.06 0.00 0.00 0.00 0.00 19.45 16.03 1r2t n ALA 73 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1r2t n PHE 74 N 5.39 0.73 -1.63 0.00 3.72 -1.26 -5.10 117.46 119.31 1r2t n PHE 74 Ca 0.48 -3.75 -0.59 0.00 -0.05 0.00 0.00 57.45 53.54 1r2t n PHE 74 Cb 0.38 -0.41 -0.08 0.00 -0.94 0.00 0.00 39.48 38.43 1r2t n PHE 74 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1r2t n THR 75 N 0.93 0.07 -0.04 4.37 -1.04 -1.26 -1.30 114.28 116.02 1r2t n THR 75 Ca 0.24 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.24 1r2t n THR 75 Cb 0.53 -0.62 0.00 0.00 -1.82 0.00 0.00 70.33 68.42 1r2t n THR 75 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1r2t n GLY 76 N 3.01 0.59 3.94 3.41 0.00 -1.26 -5.07 105.19 109.81 1r2t n GLY 76 Ca 0.24 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.06 1r2t n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r2t s GLU 77 N -0.80 3.03 0.08 1.61 0.41 -0.42 -5.13 118.70 117.47 1r2t s GLU 77 Ca 0.00 -1.07 0.04 0.00 -0.41 0.00 0.00 54.97 53.53 1r2t s GLU 77 Cb 0.00 -2.72 -0.03 0.00 -1.78 0.00 0.00 34.13 29.60 1r2t s GLU 77 CO 0.00 0.13 -0.12 0.96 -0.49 0.00 0.00 175.26 175.74 1r2t s ILE 78 N -2.19 0.96 0.18 -1.63 -4.36 -1.26 -5.01 121.20 107.89 1r2t s ILE 78 Ca 0.42 -1.40 0.05 0.00 -0.26 0.00 0.00 60.65 59.47 1r2t s ILE 78 Cb -0.08 -1.10 -0.04 0.00 1.25 0.00 0.00 42.46 42.49 1r2t s ILE 78 CO 0.29 -0.38 0.18 -0.94 0.24 0.00 0.00 174.94 174.33 1r2t s SER 79 N -1.98 5.66 0.51 4.36 1.04 -1.26 -0.27 113.70 121.76 1r2t s SER 79 Ca -0.00 -0.11 0.28 0.00 0.48 0.00 0.00 55.95 56.59 1r2t s SER 79 Cb -0.07 -1.51 1.39 0.00 0.10 0.00 0.00 66.02 65.93 1r2t s SER 79 CO 0.01 0.04 1.91 -0.65 0.98 0.00 0.00 173.24 175.53 1r2t h PRO 80 N 2.12 0.07 -0.85 4.02 0.11 -1.84 -1.10 132.00 134.53 1r2t h PRO 80 Ca -0.48 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1r2t h PRO 80 Cb 1.21 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 1r2t h PRO 80 CO 0.63 0.05 0.44 0.78 -0.21 0.00 0.00 178.00 179.69 1r2t h GLY 81 N 0.07 1.28 1.39 -0.55 0.00 -1.92 -1.19 103.07 102.16 1r2t h GLY 81 Ca 0.39 -0.61 -0.17 0.00 0.00 0.00 0.00 47.33 46.95 1r2t h GLY 81 CO -0.04 0.58 -0.56 -0.33 0.00 0.00 0.00 176.54 176.19 1r2t h MET 82 N 1.20 0.64 0.15 4.80 2.86 -1.54 -1.31 114.93 121.73 1r2t h MET 82 Ca 0.30 -0.41 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 1r2t h MET 82 Cb 0.07 0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.78 1r2t h MET 82 CO -0.04 1.03 -0.07 0.82 1.06 0.00 0.00 176.91 179.70 1r2t h ILE 83 N 0.49 0.86 -0.26 -1.22 2.04 -1.23 -1.22 117.51 116.97 1r2t h ILE 83 Ca 0.01 -0.05 0.04 0.00 1.00 0.00 0.00 64.86 65.86 1r2t h ILE 83 Cb 1.13 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 38.06 1r2t h ILE 83 CO 0.11 0.01 -0.00 0.11 0.00 0.00 0.00 178.15 178.38 1r2t h LYS 84 N -0.23 0.08 -0.21 2.37 1.57 -1.23 -2.26 116.57 116.66 1r2t h LYS 84 Ca -0.02 -0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.81 1r2t h LYS 84 Cb 0.18 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1r2t h LYS 84 CO 0.03 0.05 0.15 0.22 -0.57 0.00 0.00 179.45 179.33 1r2t h ASP 85 N 0.08 0.01 0.04 0.86 3.58 -1.02 0.11 116.42 120.07 1r2t h ASP 85 Ca 0.13 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.58 1r2t h ASP 85 Cb 0.16 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.21 1r2t h ASP 85 CO -0.21 0.00 -0.00 0.00 -2.88 0.00 0.00 179.24 176.15 1r2t n GLY 87 N 1.05 0.81 3.80 0.00 0.00 0.39 -4.62 105.19 106.62 1r2t n GLY 87 Ca 0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 1r2t n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r2t s ALA 88 N -3.17 3.17 -0.07 4.61 0.00 -0.90 -4.75 121.76 120.65 1r2t s ALA 88 Ca 0.00 0.44 0.01 0.00 0.00 0.00 0.00 51.96 52.40 1r2t s ALA 88 Cb 0.00 -3.13 0.01 0.00 0.00 0.00 0.00 23.12 20.00 1r2t s ALA 88 CO 0.00 0.18 0.59 0.25 0.00 0.00 0.00 175.76 176.78 1r2t n THR 89 N 0.13 0.15 -4.22 0.00 -2.24 -0.36 -3.72 114.28 104.01 1r2t n THR 89 Ca 0.03 -0.57 -0.13 0.00 -2.27 0.00 0.00 64.05 61.11 1r2t n THR 89 Cb 0.52 0.94 -0.10 0.00 -2.10 0.00 0.00 70.33 69.58 1r2t n THR 89 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1r2t s TRP 90 N -0.19 1.13 -0.03 4.78 0.52 -0.98 -1.00 118.94 123.18 1r2t s TRP 90 Ca 0.01 -0.89 -0.02 0.00 0.02 0.00 0.00 56.10 55.22 1r2t s TRP 90 Cb 0.01 -0.62 0.02 0.00 -1.15 0.00 0.00 33.47 31.72 1r2t s TRP 90 CO 0.01 -0.08 0.07 0.54 0.02 0.00 0.00 176.95 177.50 1r2t s VAL 91 N -3.52 -0.02 -0.11 4.03 0.11 -0.55 -1.21 120.40 119.12 1r2t s VAL 91 Ca 0.17 0.08 -0.24 0.00 -2.93 0.00 0.00 61.98 59.06 1r2t s VAL 91 Cb 0.05 -0.11 -0.03 0.00 -1.53 0.00 0.00 36.38 34.76 1r2t s VAL 91 CO -0.00 0.03 0.76 -0.69 -3.33 0.00 0.00 175.10 171.87 1r2t s VAL 92 N 0.44 4.97 -0.00 2.04 1.01 0.19 -1.27 120.40 127.77 1r2t s VAL 92 Ca -0.03 1.53 0.05 0.00 0.00 0.00 0.00 61.98 63.52 1r2t s VAL 92 Cb -0.05 -4.09 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 1r2t s VAL 92 CO -0.02 0.15 -0.14 -0.76 0.00 0.00 0.00 175.10 174.33 1r2t s LEU 93 N 1.42 2.05 0.00 3.92 1.43 -0.27 -3.28 118.68 123.95 1r2t s LEU 93 Ca 0.38 -0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 1r2t s LEU 93 Cb -0.17 -0.72 0.00 0.00 0.03 0.00 0.00 46.19 45.33 1r2t s LEU 93 CO 0.16 0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.50 1r2t n GLY 94 N 2.58 0.50 3.64 -3.19 0.00 -1.26 -0.94 105.19 106.52 1r2t n GLY 94 Ca -0.15 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 1r2t n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1r2t n HIS 95 N -2.94 1.69 -0.15 1.61 -0.00 -1.26 -4.43 115.22 109.74 1r2t n HIS 95 Ca 0.00 0.62 0.22 0.00 0.46 0.00 0.00 57.72 59.02 1r2t n HIS 95 Cb 0.00 -2.32 0.63 0.00 -0.12 0.00 0.00 29.99 28.19 1r2t n HIS 95 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1r2t h SER 96 N 2.16 0.15 -0.42 0.26 4.64 -1.93 0.29 113.55 118.71 1r2t h SER 96 Ca -0.43 0.01 -0.15 0.00 -0.47 0.00 0.00 61.79 60.76 1r2t h SER 96 Cb 1.32 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.38 1r2t h SER 96 CO 0.61 0.07 -0.31 -0.33 -0.87 0.00 0.00 176.83 176.00 1r2t h GLU 97 N 0.16 0.95 -0.58 4.77 5.08 -1.96 0.32 114.58 123.32 1r2t h GLU 97 Ca 0.38 -0.46 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1r2t h GLU 97 Cb 1.28 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.50 1r2t h GLU 97 CO -0.06 1.12 0.29 0.00 -1.00 0.00 0.00 179.01 179.36 1r2t h ARG 98 N 0.78 0.82 -0.21 2.33 2.47 -0.80 -0.27 114.38 119.51 1r2t h ARG 98 Ca 0.08 -0.11 -0.12 0.00 -1.26 0.00 0.00 59.98 58.56 1r2t h ARG 98 Cb 0.90 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 29.07 1r2t h ARG 98 CO 0.08 0.66 -0.36 0.00 0.56 0.00 0.00 179.97 180.91 1r2t h ARG 99 N 0.78 0.61 0.00 0.04 3.08 -1.20 -0.78 114.38 116.91 1r2t h ARG 99 Ca 0.20 -0.38 -0.03 0.00 0.07 0.00 0.00 59.98 59.84 1r2t h ARG 99 Cb 0.10 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1r2t h ARG 99 CO -0.03 0.99 -1.85 0.72 -1.07 0.00 0.00 179.97 178.74 1r2t n HIS 100 N -4.28 0.00 -0.10 3.04 8.25 0.11 -2.78 115.22 119.47 1r2t n HIS 100 Ca -0.06 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.24 1r2t n HIS 100 Cb 0.51 -0.45 -0.13 0.00 1.12 0.00 0.00 29.99 31.04 1r2t n HIS 100 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1r2t n VAL 101 N -2.17 1.52 -0.35 1.59 0.31 -0.13 -4.61 118.33 114.48 1r2t n VAL 101 Ca -0.06 -0.64 0.07 0.00 -0.01 0.00 0.00 64.34 63.70 1r2t n VAL 101 Cb 0.52 -1.28 0.20 0.00 -0.91 0.00 0.00 33.84 32.37 1r2t n VAL 101 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1r2t n PHE 102 N -3.19 0.67 -2.85 3.52 3.72 -1.07 -4.99 117.46 113.27 1r2t n PHE 102 Ca -0.41 -0.56 -0.18 0.00 -0.05 0.00 0.00 57.45 56.25 1r2t n PHE 102 Cb 1.03 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 39.49 1r2t n PHE 102 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1r2t n GLY 103 N 0.54 -0.50 3.68 1.37 0.00 -0.96 -4.89 105.19 104.42 1r2t n GLY 103 Ca 0.16 0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1r2t n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r2t s GLU 104 N -5.47 4.26 0.66 1.61 2.02 -0.34 -4.97 118.70 116.47 1r2t s GLU 104 Ca 0.19 1.94 -0.11 0.00 0.02 0.00 0.00 54.97 57.00 1r2t s GLU 104 Cb -0.09 -3.67 -0.02 0.00 0.10 0.00 0.00 34.13 30.45 1r2t s GLU 104 CO 0.23 -0.63 1.05 -1.54 0.02 0.00 0.00 175.26 174.39 1r2t s SER 105 N 2.11 5.83 0.23 -0.19 1.04 -1.26 -4.45 113.70 117.01 1r2t s SER 105 Ca 0.63 1.40 -0.07 0.00 0.48 0.00 0.00 55.95 58.40 1r2t s SER 105 Cb -0.30 -2.36 0.35 0.00 0.10 0.00 0.00 66.02 63.81 1r2t s SER 105 CO 0.25 -1.13 1.77 0.44 0.98 0.00 0.00 173.24 175.55 1r2t h ASP 106 N -0.50 0.41 -0.17 7.02 3.32 -1.99 -1.12 116.42 123.39 1r2t h ASP 106 Ca -0.44 0.07 0.02 0.00 0.02 0.00 0.00 57.03 56.70 1r2t h ASP 106 Cb 1.21 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.75 1r2t h ASP 106 CO 0.61 0.22 0.05 -0.08 -1.72 0.00 0.00 179.24 178.32 1r2t h GLU 107 N 0.55 0.12 -0.41 3.56 4.81 -1.97 0.15 114.58 121.40 1r2t h GLU 107 Ca 0.36 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.61 1r2t h GLU 107 Cb 0.41 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 1r2t h GLU 107 CO -0.29 0.08 0.21 1.25 -0.73 0.00 0.00 179.01 179.53 1r2t h LEU 108 N 0.13 0.32 -0.81 1.64 6.46 -1.87 -0.74 115.31 120.44 1r2t h LEU 108 Ca 0.08 0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.82 1r2t h LEU 108 Cb 0.05 -0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 39.90 1r2t h LEU 108 CO -0.09 0.23 0.39 0.40 -0.62 0.00 0.00 178.44 178.76 1r2t h ILE 109 N 0.43 1.25 -0.06 4.05 2.04 -0.85 -0.58 117.51 123.80 1r2t h ILE 109 Ca 0.17 -0.70 0.02 0.00 1.00 0.00 0.00 64.86 65.36 1r2t h ILE 109 Cb 0.07 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.35 1r2t h ILE 109 CO -0.11 0.30 -0.09 1.23 0.00 0.00 0.00 178.15 179.48 1r2t h GLY 110 N 1.14 -0.05 1.12 5.37 0.00 -0.30 -0.21 103.07 110.15 1r2t h GLY 110 Ca 0.28 0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.70 1r2t h GLY 110 CO -0.04 -0.10 0.43 1.46 0.00 0.00 0.00 176.54 178.30 1r2t h GLN 111 N -0.13 1.15 -0.62 4.80 4.20 -0.73 -1.54 115.11 122.23 1r2t h GLN 111 Ca 0.05 -0.14 -0.05 0.00 0.06 0.00 0.00 58.65 58.57 1r2t h GLN 111 Cb 0.20 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 1r2t h GLN 111 CO -0.13 0.85 0.18 0.87 -0.67 0.00 0.00 178.83 179.93 1r2t h LYS 112 N 1.15 0.98 -0.13 1.46 1.57 -0.87 -1.95 116.57 118.77 1r2t h LYS 112 Ca 0.29 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1r2t h LYS 112 Cb 0.05 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1r2t h LYS 112 CO -0.04 0.87 0.07 0.28 -0.57 0.00 0.00 179.45 180.06 1r2t h VAL 113 N 0.90 1.10 -0.98 0.50 2.07 -0.58 0.24 116.25 119.51 1r2t h VAL 113 Ca 0.20 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1r2t h VAL 113 Cb 0.31 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 1r2t h VAL 113 CO -0.00 0.09 0.62 0.00 0.02 0.00 0.00 177.57 178.30 1r2t h ALA 114 N 0.96 1.24 -0.09 1.67 0.00 -1.20 -1.45 119.26 120.40 1r2t h ALA 114 Ca 0.05 -0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.68 1r2t h ALA 114 Cb 0.09 -0.40 0.01 0.00 0.00 0.00 0.00 17.79 17.49 1r2t h ALA 114 CO -0.01 0.66 -0.68 1.25 0.00 0.00 0.00 179.25 180.47 1r2t h HIS 115 N 1.33 0.85 -0.32 0.00 6.17 -1.16 -1.16 115.15 120.86 1r2t h HIS 115 Ca 0.35 -0.40 0.03 0.00 0.71 0.00 0.00 60.37 61.07 1r2t h HIS 115 Cb -0.12 -0.12 -0.03 0.00 2.52 0.00 0.00 27.41 29.66 1r2t h HIS 115 CO 0.00 1.21 0.13 0.00 0.71 0.00 0.00 177.93 179.98 1r2t h ALA 116 N 0.46 0.38 -0.63 5.26 0.00 -0.82 -1.98 119.26 121.92 1r2t h ALA 116 Ca -0.06 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1r2t h ALA 116 Cb 1.33 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 1r2t h ALA 116 CO 0.14 -0.26 0.37 -0.07 0.00 0.00 0.00 179.25 179.43 1r2t h LEU 117 N 0.28 0.76 -1.89 0.00 3.38 -1.24 -2.14 115.31 114.46 1r2t h LEU 117 Ca 0.14 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1r2t h LEU 117 Cb 0.09 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1r2t h LEU 117 CO -0.13 0.61 0.00 0.77 0.09 0.00 0.00 178.44 179.78 1r2t h SER 118 N 0.86 0.00 0.00 -0.43 4.64 -0.87 -1.62 113.55 116.13 1r2t h SER 118 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1r2t h SER 118 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1r2t h SER 118 CO -0.04 0.00 -0.05 -0.62 -0.87 0.00 0.00 176.83 175.24 1r2t n GLU 119 N -2.90 1.78 -0.43 4.77 -0.58 -0.78 -4.95 120.64 117.55 1r2t n GLU 119 Ca -0.01 -1.24 0.00 0.00 -0.42 0.00 0.00 57.16 55.49 1r2t n GLU 119 Cb 0.19 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.58 1r2t n GLU 119 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1r2t n GLY 120 N 1.26 0.78 3.86 0.62 0.00 -0.61 -4.93 105.19 106.17 1r2t n GLY 120 Ca 0.16 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 1r2t n GLY 120 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1r2t s LEU 121 N 0.00 4.14 0.47 0.99 2.96 -0.93 -5.01 118.68 121.30 1r2t s LEU 121 Ca 0.00 1.07 -0.15 0.00 -0.22 0.00 0.00 54.13 54.83 1r2t s LEU 121 Cb 0.00 -3.80 -0.08 0.00 0.50 0.00 0.00 46.19 42.81 1r2t s LEU 121 CO 0.00 -0.11 0.90 -0.83 -1.32 0.00 0.00 176.35 174.99 1r2t s GLY 122 N -2.28 2.05 -0.07 7.98 0.00 -0.17 -4.25 107.32 110.58 1r2t s GLY 122 Ca 0.49 0.06 0.04 0.00 0.00 0.00 0.00 44.72 45.31 1r2t s GLY 122 CO 0.20 0.31 -0.18 0.14 0.00 0.00 0.00 173.10 173.56 1r2t s VAL 123 N -2.49 1.60 -0.46 1.40 1.01 0.12 -1.48 120.40 120.10 1r2t s VAL 123 Ca 0.56 -0.77 -0.14 0.00 0.00 0.00 0.00 61.98 61.64 1r2t s VAL 123 Cb -0.10 -1.40 0.08 0.00 0.00 0.00 0.00 36.38 34.95 1r2t s VAL 123 CO 0.30 0.46 0.37 -0.63 0.00 0.00 0.00 175.10 175.59 1r2t s ILE 124 N 0.38 5.00 -0.30 2.22 1.01 -0.40 -0.52 121.20 128.59 1r2t s ILE 124 Ca -0.14 -1.15 -0.11 0.00 0.00 0.00 0.00 60.65 59.25 1r2t s ILE 124 Cb -0.16 -4.01 -0.03 0.00 0.01 0.00 0.00 42.46 38.27 1r2t s ILE 124 CO 0.05 -0.57 0.19 0.00 0.00 0.00 0.00 174.94 174.62 1r2t s ALA 125 N 1.59 3.45 0.00 9.38 0.00 0.13 -1.12 121.76 135.20 1r2t s ALA 125 Ca 0.04 -1.23 -0.13 0.00 0.00 0.00 0.00 51.96 50.63 1r2t s ALA 125 Cb -0.24 -2.49 -0.06 0.00 0.00 0.00 0.00 23.12 20.33 1r2t s ALA 125 CO 0.05 -0.73 0.39 0.00 0.00 0.00 0.00 175.76 175.47 1r2t s ILE 127 N -1.13 0.41 0.00 0.00 -0.00 -0.51 -4.60 121.20 115.37 1r2t s ILE 127 Ca 0.25 -2.00 0.00 0.00 -0.00 0.00 0.00 60.65 58.90 1r2t s ILE 127 Cb -0.16 -2.59 0.00 0.00 -0.00 0.00 0.00 42.46 39.71 1r2t s ILE 127 CO 0.13 0.00 0.00 0.61 -0.00 0.00 0.00 174.94 175.68 1r2t n GLY 128 N -0.44 3.57 3.86 6.27 0.00 -1.26 -0.43 105.19 116.77 1r2t n GLY 128 Ca 0.01 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 45.15 1r2t n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1r2t s GLU 129 N -2.01 3.27 0.75 1.61 1.03 -1.25 -4.86 118.70 117.23 1r2t s GLU 129 Ca 0.00 -0.44 -0.11 0.00 0.03 0.00 0.00 54.97 54.45 1r2t s GLU 129 Cb 0.00 -2.97 0.05 0.00 -0.80 0.00 0.00 34.13 30.41 1r2t s GLU 129 CO 0.00 0.64 1.11 0.15 -1.33 0.00 0.00 175.26 175.83 1r2t s LYS 130 N -2.08 2.36 0.18 -4.83 1.02 -1.26 -1.54 119.74 113.59 1r2t s LYS 130 Ca 0.28 0.17 -0.14 0.00 0.02 0.00 0.00 55.97 56.30 1r2t s LYS 130 Cb -0.12 -2.03 0.13 0.00 -0.52 0.00 0.00 37.83 35.29 1r2t s LYS 130 CO 0.20 -1.30 1.76 1.25 -0.92 0.00 0.00 175.35 176.34 1r2t h LEU 131 N -0.80 0.23 -1.49 3.17 5.85 -1.81 -0.10 115.31 120.37 1r2t h LEU 131 Ca -0.45 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.28 1r2t h LEU 131 Cb 1.30 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.32 1r2t h LEU 131 CO 0.64 0.17 -0.03 -2.24 -0.34 0.00 0.00 178.44 176.64 1r2t h ASP 132 N 0.38 0.27 -0.17 1.25 2.03 -1.95 -0.61 116.42 117.62 1r2t h ASP 132 Ca 0.21 -0.04 -0.17 0.00 -0.73 0.00 0.00 57.03 56.30 1r2t h ASP 132 Cb 0.18 -0.07 -0.00 0.00 -0.83 0.00 0.00 39.33 38.61 1r2t h ASP 132 CO -0.19 0.35 -0.53 -0.33 -1.03 0.00 0.00 179.24 177.50 1r2t h GLU 133 N 0.28 0.76 -0.31 4.15 5.08 -1.73 -2.68 114.58 120.14 1r2t h GLU 133 Ca 0.06 -0.47 -0.09 0.00 -1.00 0.00 0.00 59.36 57.87 1r2t h GLU 133 Cb 0.25 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1r2t h GLU 133 CO 0.01 1.10 -0.14 -0.09 -1.00 0.00 0.00 179.01 178.88 1r2t h ARG 134 N 0.59 0.64 0.00 2.33 2.43 -0.23 -2.26 114.38 117.88 1r2t h ARG 134 Ca 0.02 -0.28 -0.03 0.00 -0.81 0.00 0.00 59.98 58.88 1r2t h ARG 134 Cb 1.11 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.64 1r2t h ARG 134 CO 0.11 0.86 -0.15 0.93 -1.51 0.00 0.00 179.97 180.21 1r2t h GLU 135 N 0.40 0.00 0.00 0.20 5.08 -1.21 -2.28 114.58 116.77 1r2t h GLU 135 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1r2t h GLU 135 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1r2t h GLU 135 CO 0.04 0.15 0.00 0.00 -1.00 0.00 0.00 179.01 178.21 1r2t n ALA 136 N -2.17 2.28 -0.71 3.43 0.00 -1.01 -4.91 120.51 117.42 1r2t n ALA 136 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1r2t n ALA 136 Cb 0.43 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1r2t n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r2t n GLY 137 N 0.93 0.74 1.91 0.00 0.00 -0.86 -4.96 105.19 102.95 1r2t n GLY 137 Ca 0.12 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 1r2t n GLY 137 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1r2t n ILE 138 N -2.40 3.02 -0.13 -0.61 -5.35 -0.86 -4.63 119.36 108.41 1r2t n ILE 138 Ca 0.00 -2.26 -0.04 0.00 -0.27 0.00 0.00 62.75 60.18 1r2t n ILE 138 Cb 0.00 -0.47 0.03 0.00 -1.74 0.00 0.00 39.64 37.46 1r2t n ILE 138 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1r2t h THR 139 N 1.01 0.60 -0.34 7.28 2.02 -1.84 -2.16 112.91 119.47 1r2t h THR 139 Ca 0.51 -0.01 -0.02 0.00 0.77 0.00 0.00 66.41 67.66 1r2t h THR 139 Cb 2.40 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 69.36 1r2t h THR 139 CO 0.91 0.01 0.14 -0.33 0.37 0.00 0.00 175.52 176.62 1r2t h GLU 140 N 0.03 0.51 -0.06 6.66 5.08 -1.95 -1.97 114.58 122.88 1r2t h GLU 140 Ca 0.21 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1r2t h GLU 140 Cb 0.32 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1r2t h GLU 140 CO -0.42 0.50 0.02 -0.22 -1.00 0.00 0.00 179.01 177.89 1r2t h LYS 141 N 0.41 0.05 0.10 2.33 3.64 -1.83 0.22 116.57 121.49 1r2t h LYS 141 Ca 0.12 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1r2t h LYS 141 Cb 0.18 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1r2t h LYS 141 CO -0.01 0.03 -0.05 0.28 -2.27 0.00 0.00 179.45 177.43 1r2t h VAL 142 N 0.05 1.00 -0.09 2.00 2.07 -1.38 -1.26 116.25 118.63 1r2t h VAL 142 Ca 0.02 -0.36 -0.11 0.00 0.82 0.00 0.00 66.70 67.08 1r2t h VAL 142 Cb 0.01 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1r2t h VAL 142 CO -0.02 0.09 -0.44 0.58 0.02 0.00 0.00 177.57 177.79 1r2t h VAL 143 N -0.30 1.32 -0.01 2.57 2.07 -1.26 -1.10 116.25 119.55 1r2t h VAL 143 Ca -0.01 -1.58 -0.25 0.00 0.82 0.00 0.00 66.70 65.67 1r2t h VAL 143 Cb 0.25 1.75 0.02 0.00 -1.52 0.00 0.00 31.29 31.79 1r2t h VAL 143 CO 0.02 0.47 -0.97 -0.26 0.02 0.00 0.00 177.57 176.85 1r2t h PHE 144 N 0.17 0.99 -0.82 1.57 0.04 -0.51 -2.33 116.94 116.05 1r2t h PHE 144 Ca 0.01 -0.53 -0.02 0.00 2.80 0.00 0.00 57.97 60.22 1r2t h PHE 144 Cb 0.85 -0.12 -0.04 0.00 2.20 0.00 0.00 35.95 38.85 1r2t h PHE 144 CO 0.01 1.37 0.42 1.49 -0.60 0.00 0.00 178.31 181.00 1r2t h GLU 145 N 0.34 1.16 -0.32 1.51 4.57 -1.10 0.23 114.58 120.96 1r2t h GLU 145 Ca -0.12 -0.15 -0.06 0.00 -1.18 0.00 0.00 59.36 57.85 1r2t h GLU 145 Cb 1.63 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 29.99 1r2t h GLU 145 CO 0.19 0.88 -0.02 1.96 -1.18 0.00 0.00 179.01 180.84 1r2t h GLN 146 N 1.15 0.58 -0.74 1.92 4.20 -1.23 -2.73 115.11 118.25 1r2t h GLN 146 Ca 0.28 -0.19 -0.06 0.00 0.06 0.00 0.00 58.65 58.74 1r2t h GLN 146 Cb 0.08 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.78 1r2t h GLN 146 CO -0.04 0.72 0.24 1.15 -0.67 0.00 0.00 178.83 180.23 1r2t h THR 147 N 0.37 1.26 -0.42 -0.54 2.02 -1.32 -2.85 112.91 111.43 1r2t h THR 147 Ca 0.09 -0.89 0.04 0.00 0.77 0.00 0.00 66.41 66.41 1r2t h THR 147 Cb 0.47 0.43 -0.04 0.00 -1.74 0.00 0.00 68.15 67.28 1r2t h THR 147 CO 0.02 0.35 0.19 0.50 0.37 0.00 0.00 175.52 176.96 1r2t h LYS 148 N 1.10 0.38 -0.68 6.66 3.64 -0.82 0.12 116.57 126.98 1r2t h LYS 148 Ca 0.24 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.54 1r2t h LYS 148 Cb 0.29 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 1r2t h LYS 148 CO -0.01 0.25 0.21 0.28 -2.27 0.00 0.00 179.45 177.92 1r2t h VAL 149 N 0.39 1.25 0.37 2.00 2.07 -1.41 0.26 116.25 121.18 1r2t h VAL 149 Ca 0.19 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 1r2t h VAL 149 Cb 0.12 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1r2t h VAL 149 CO -0.15 0.33 -0.18 0.40 0.02 0.00 0.00 177.57 178.00 1r2t h ILE 150 N 1.01 0.64 -0.80 4.57 2.04 -1.24 -3.16 117.51 120.56 1r2t h ILE 150 Ca 0.22 -0.14 0.07 0.00 1.00 0.00 0.00 64.86 66.01 1r2t h ILE 150 Cb 0.28 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 37.03 1r2t h ILE 150 CO -0.01 0.03 0.52 0.00 0.00 0.00 0.00 178.15 178.70 1r2t h ALA 151 N 0.02 1.64 -0.36 1.87 0.00 -0.49 0.19 119.26 122.13 1r2t h ALA 151 Ca -0.05 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.94 1r2t h ALA 151 Cb 0.43 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1r2t h ALA 151 CO 0.08 0.24 0.34 -0.44 0.00 0.00 0.00 179.25 179.47 1r2t h ASP 152 N 0.86 0.00 -0.30 0.00 3.32 -0.94 -2.32 116.42 117.04 1r2t h ASP 152 Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 1r2t h ASP 152 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1r2t h ASP 152 CO -0.12 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 177.99 1r2t n ASN 153 N -3.92 3.52 -4.29 6.45 3.02 0.65 -4.91 115.26 115.78 1r2t n ASN 153 Ca 0.06 -2.60 -0.34 0.00 -0.03 0.00 0.00 54.58 51.68 1r2t n ASN 153 Cb 0.51 -0.42 -0.15 0.00 -0.61 0.00 0.00 39.78 39.12 1r2t n ASN 153 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1r2t s VAL 154 N -2.07 2.95 -0.10 2.41 1.01 -0.88 -3.61 120.40 120.13 1r2t s VAL 154 Ca 0.35 -0.66 0.17 0.00 0.00 0.00 0.00 61.98 61.84 1r2t s VAL 154 Cb 0.25 -2.29 -0.25 0.00 0.00 0.00 0.00 36.38 34.10 1r2t s VAL 154 CO 0.12 0.49 0.24 0.29 0.00 0.00 0.00 175.10 176.23 1r2t n LYS 155 N 4.27 0.87 -3.62 2.72 5.02 -1.26 -4.89 118.16 121.27 1r2t n LYS 155 Ca -0.19 -0.09 -0.29 0.00 -2.02 0.00 0.00 58.31 55.72 1r2t n LYS 155 Cb 0.51 -1.44 -0.15 0.00 -0.02 0.00 0.00 35.03 33.94 1r2t n LYS 155 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1r2t s ASP 156 N -4.61 3.69 0.32 4.39 2.15 -1.26 -5.01 116.67 116.34 1r2t s ASP 156 Ca -0.08 -1.60 0.25 0.00 0.43 0.00 0.00 52.55 51.56 1r2t s ASP 156 Cb 0.09 -0.60 1.09 0.00 -0.30 0.00 0.00 42.92 43.19 1r2t s ASP 156 CO 0.74 -0.41 1.77 -0.50 -0.17 0.00 0.00 175.17 176.60 1r2t h TRP 157 N 8.04 0.00 -0.00 -5.34 4.06 -1.95 -2.93 115.95 117.83 1r2t h TRP 157 Ca -0.14 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.81 1r2t h TRP 157 Cb 1.00 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.16 1r2t h TRP 157 CO 0.34 0.00 0.01 0.66 -3.56 0.00 0.00 178.44 175.89 1r2t h SER 158 N 0.00 0.00 -0.43 -3.49 4.64 -1.96 -1.76 113.55 110.55 1r2t h SER 158 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1r2t h SER 158 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1r2t h SER 158 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1r2t n LYS 159 N -3.22 3.09 -4.71 4.77 5.02 -1.11 -4.98 118.16 117.03 1r2t n LYS 159 Ca -0.03 -2.50 -0.31 0.00 -2.02 0.00 0.00 58.31 53.45 1r2t n LYS 159 Cb 0.08 -1.58 -0.13 0.00 -0.02 0.00 0.00 35.03 33.38 1r2t n LYS 159 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1r2t s VAL 160 N -1.63 2.86 -0.05 -0.18 1.01 -0.66 -0.70 120.40 121.04 1r2t s VAL 160 Ca 0.37 -1.08 0.03 0.00 0.00 0.00 0.00 61.98 61.29 1r2t s VAL 160 Cb 0.23 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 34.44 1r2t s VAL 160 CO 0.18 0.39 -0.12 -0.69 0.00 0.00 0.00 175.10 174.86 1r2t s VAL 161 N -0.89 1.09 -0.14 2.92 1.01 0.32 -4.55 120.40 120.17 1r2t s VAL 161 Ca 0.14 -0.48 -0.13 0.00 0.00 0.00 0.00 61.98 61.51 1r2t s VAL 161 Cb -0.11 -0.98 -0.05 0.00 0.00 0.00 0.00 36.38 35.25 1r2t s VAL 161 CO 0.04 0.34 0.29 -0.76 0.00 0.00 0.00 175.10 175.01 1r2t s LEU 162 N 0.44 4.29 -0.18 3.92 2.01 -0.47 -0.69 118.68 128.00 1r2t s LEU 162 Ca -0.10 0.56 0.00 0.00 0.01 0.00 0.00 54.13 54.61 1r2t s LEU 162 Cb -0.13 -2.36 0.01 0.00 0.01 0.00 0.00 46.19 43.72 1r2t s LEU 162 CO 0.02 0.17 -0.17 0.00 1.01 0.00 0.00 176.35 177.38 1r2t s ALA 163 N 0.09 2.42 -0.35 4.21 0.00 -0.47 0.58 121.76 128.23 1r2t s ALA 163 Ca 0.17 -1.19 -0.19 0.00 0.00 0.00 0.00 51.96 50.76 1r2t s ALA 163 Cb -0.13 -1.26 -0.00 0.00 0.00 0.00 0.00 23.12 21.73 1r2t s ALA 163 CO 0.05 -0.31 0.55 -0.47 0.00 0.00 0.00 175.76 175.58 1r2t s TYR 164 N 1.24 3.17 -0.39 0.00 5.04 0.32 -1.43 117.35 125.30 1r2t s TYR 164 Ca 0.03 0.22 -0.14 0.00 -2.44 0.00 0.00 57.07 54.75 1r2t s TYR 164 Cb -0.14 -3.00 0.01 0.00 0.35 0.00 0.00 41.96 39.19 1r2t s TYR 164 CO -0.09 -0.57 0.27 -1.21 -1.34 0.00 0.00 175.55 172.60 1r2t s GLU 165 N 2.49 3.05 -1.21 4.97 2.02 0.43 -0.03 118.70 130.41 1r2t s GLU 165 Ca 0.20 -0.96 -0.19 0.00 0.02 0.00 0.00 54.97 54.05 1r2t s GLU 165 Cb -0.15 -3.88 -0.02 0.00 0.10 0.00 0.00 34.13 30.18 1r2t s GLU 165 CO 0.14 -0.67 1.94 -0.35 0.02 0.00 0.00 175.26 176.33 1r2t n PRO 166 N 5.11 2.42 -0.12 0.39 -0.04 -1.26 -3.95 135.00 137.55 1r2t n PRO 166 Ca -0.12 -2.66 0.14 0.00 -0.04 0.00 0.00 63.50 60.83 1r2t n PRO 166 Cb 0.47 -3.40 0.52 0.00 -0.04 0.00 0.00 33.50 31.05 1r2t n PRO 166 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1r2t h VAL 167 N 5.14 0.83 0.00 0.52 2.07 -1.88 -0.93 116.25 122.01 1r2t h VAL 167 Ca 0.42 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.81 1r2t h VAL 167 Cb 0.79 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1r2t h VAL 167 CO 1.60 0.07 0.15 -2.67 0.02 0.00 0.00 177.57 176.74 1r2t n TRP 168 N -4.47 0.28 -0.74 1.57 4.27 -0.59 -2.10 117.44 115.68 1r2t n TRP 168 Ca 0.12 0.15 0.07 0.00 -3.89 0.00 0.00 57.50 53.95 1r2t n TRP 168 Cb 0.47 -0.62 0.14 0.00 -1.36 0.00 0.00 31.31 29.94 1r2t n TRP 168 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1r2t n ALA 169 N -1.52 2.37 -2.64 -1.67 0.00 -0.35 -4.50 120.51 112.20 1r2t n ALA 169 Ca -0.01 -2.06 -0.40 0.00 0.00 0.00 0.00 53.44 50.97 1r2t n ALA 169 Cb 0.17 -0.38 -0.11 0.00 0.00 0.00 0.00 19.45 19.12 1r2t n ALA 169 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1r2t s ILE 170 N -2.28 5.08 0.00 0.00 1.01 -0.89 -4.45 121.20 119.67 1r2t s ILE 170 Ca 0.27 -0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.66 1r2t s ILE 170 Cb 0.22 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 39.10 1r2t s ILE 170 CO 0.05 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.63 1r2t n GLY 171 N 5.07 0.60 0.06 6.18 0.00 -1.26 -4.55 105.19 111.29 1r2t n GLY 171 Ca -0.13 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.91 1r2t n GLY 171 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1r2t n THR 172 N 0.00 -0.07 0.00 2.61 -2.24 -1.26 -4.76 114.28 108.56 1r2t n THR 172 Ca 0.00 0.38 0.00 0.00 -2.27 0.00 0.00 64.05 62.16 1r2t n THR 172 Cb 0.00 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 67.69 1r2t n THR 172 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r2t n GLY 173 N -1.10 0.82 3.88 3.38 0.00 -1.26 -5.14 105.19 105.77 1r2t n GLY 173 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1r2t n GLY 173 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r2t s LYS 174 N 0.00 3.76 -0.06 1.61 -0.14 -1.26 -5.10 119.74 118.55 1r2t s LYS 174 Ca 0.00 0.48 0.04 0.00 -1.36 0.00 0.00 55.97 55.13 1r2t s LYS 174 Cb 0.00 -2.37 0.00 0.00 -1.68 0.00 0.00 37.83 33.79 1r2t s LYS 174 CO 0.00 -0.08 -0.17 0.99 -0.76 0.00 0.00 175.35 175.33 1r2t s THR 175 N -2.44 1.45 -0.21 2.17 2.01 -1.26 -4.60 115.64 112.75 1r2t s THR 175 Ca 0.51 -0.70 -0.27 0.00 0.31 0.00 0.00 61.69 61.55 1r2t s THR 175 Cb -0.10 -1.27 -0.00 0.00 0.01 0.00 0.00 72.50 71.14 1r2t s THR 175 CO 0.33 0.42 0.93 0.00 -0.69 0.00 0.00 174.62 175.61 1r2t s ALA 176 N 0.27 3.63 0.71 7.40 0.00 -1.26 -5.03 121.76 127.48 1r2t s ALA 176 Ca -0.10 0.06 -0.13 0.00 0.00 0.00 0.00 51.96 51.80 1r2t s ALA 176 Cb -0.14 -3.40 0.03 0.00 0.00 0.00 0.00 23.12 19.61 1r2t s ALA 176 CO 0.04 -0.91 1.10 0.95 0.00 0.00 0.00 175.76 176.94 1r2t s THR 177 N 2.82 3.33 0.34 0.00 -4.23 -1.26 -4.88 115.64 111.76 1r2t s THR 177 Ca 0.40 0.52 0.08 0.00 -1.18 0.00 0.00 61.69 61.51 1r2t s THR 177 Cb -0.16 -3.03 0.32 0.00 1.34 0.00 0.00 72.50 70.96 1r2t s THR 177 CO 0.08 -0.48 1.86 -0.65 -0.54 0.00 0.00 174.62 174.90 1r2t h PRO 178 N -0.53 0.72 -0.23 3.99 0.11 -1.96 -1.54 132.00 132.57 1r2t h PRO 178 Ca -0.45 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 1r2t h PRO 178 Cb 1.24 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1r2t h PRO 178 CO 0.53 0.48 0.06 1.96 -0.21 0.00 0.00 178.00 180.81 1r2t h GLN 179 N 0.74 0.37 -0.89 1.05 7.50 -1.95 -1.12 115.11 120.80 1r2t h GLN 179 Ca 0.46 -0.09 -0.00 0.00 0.50 0.00 0.00 58.65 59.52 1r2t h GLN 179 Cb 0.68 -0.05 -0.04 0.00 0.05 0.00 0.00 27.48 28.12 1r2t h GLN 179 CO -0.22 0.48 0.56 1.96 -1.50 0.00 0.00 178.83 180.10 1r2t h GLN 180 N 0.19 1.20 -0.25 1.46 4.20 -1.80 0.77 115.11 120.89 1r2t h GLN 180 Ca 0.07 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 1r2t h GLN 180 Cb 0.27 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1r2t h GLN 180 CO 0.00 0.83 0.10 0.00 -0.67 0.00 0.00 178.83 179.09 1r2t h ALA 181 N 1.39 0.32 -0.51 3.87 0.00 -1.19 -2.96 119.26 120.18 1r2t h ALA 181 Ca 0.32 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.15 1r2t h ALA 181 Cb -0.08 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1r2t h ALA 181 CO -0.06 -0.08 0.29 0.37 0.00 0.00 0.00 179.25 179.76 1r2t h GLN 182 N 0.25 0.55 -0.77 0.00 5.75 -0.51 -1.35 115.11 119.03 1r2t h GLN 182 Ca 0.08 -0.03 0.08 0.00 -0.15 0.00 0.00 58.65 58.63 1r2t h GLN 182 Cb 0.18 -0.12 -0.06 0.00 1.07 0.00 0.00 27.48 28.54 1r2t h GLN 182 CO -0.01 0.36 0.44 1.49 -2.65 0.00 0.00 178.83 178.47 1r2t h GLU 183 N 0.57 0.76 -0.07 1.69 4.81 -0.83 -0.60 114.58 120.91 1r2t h GLU 183 Ca 0.21 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.35 1r2t h GLU 183 Cb 0.06 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.27 1r2t h GLU 183 CO -0.12 0.50 -0.14 0.28 -0.73 0.00 0.00 179.01 178.81 1r2t h VAL 184 N 0.78 1.41 -0.36 0.32 2.07 -1.32 -2.71 116.25 116.45 1r2t h VAL 184 Ca 0.36 -1.44 0.05 0.00 0.82 0.00 0.00 66.70 66.49 1r2t h VAL 184 Cb 0.27 2.20 -0.05 0.00 -1.52 0.00 0.00 31.29 32.18 1r2t h VAL 184 CO -0.21 0.40 0.06 0.45 0.02 0.00 0.00 177.57 178.29 1r2t h HIS 185 N -0.27 0.10 -1.01 1.57 3.86 -1.01 0.91 115.15 119.31 1r2t h HIS 185 Ca 0.00 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.26 1r2t h HIS 185 Cb 0.72 0.01 -0.05 0.00 1.06 0.00 0.00 27.41 29.15 1r2t h HIS 185 CO 0.11 0.01 0.66 1.49 0.86 0.00 0.00 177.93 181.07 1r2t h GLU 186 N 0.18 1.29 -0.51 2.45 4.81 -1.17 -0.18 114.58 121.44 1r2t h GLU 186 Ca 0.17 -0.08 -0.11 0.00 -0.13 0.00 0.00 59.36 59.21 1r2t h GLU 186 Cb 0.20 -0.29 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 1r2t h GLU 186 CO -0.23 0.85 -0.13 0.87 -0.73 0.00 0.00 179.01 179.65 1r2t h LYS 187 N 1.33 0.97 -0.58 1.92 1.57 -1.05 -1.05 116.57 119.68 1r2t h LYS 187 Ca 0.38 -0.36 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1r2t h LYS 187 Cb -0.10 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 1r2t h LYS 187 CO -0.10 1.03 0.29 -0.07 -0.57 0.00 0.00 179.45 180.04 1r2t h LEU 188 N 0.86 0.75 -0.92 2.94 3.38 -0.13 -0.44 115.31 121.76 1r2t h LEU 188 Ca 0.13 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1r2t h LEU 188 Cb 0.68 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1r2t h LEU 188 CO 0.05 0.66 0.24 -0.09 0.09 0.00 0.00 178.44 179.39 1r2t h ARG 189 N 0.79 1.03 -0.15 1.13 2.43 -0.88 -1.88 114.38 116.86 1r2t h ARG 189 Ca 0.20 -0.19 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 1r2t h ARG 189 Cb 0.10 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1r2t h ARG 189 CO -0.03 0.86 -0.05 0.78 -1.51 0.00 0.00 179.97 180.03 1r2t h GLY 190 N 1.07 0.23 0.91 2.80 0.00 -0.71 -1.07 103.07 106.30 1r2t h GLY 190 Ca 0.23 -0.12 -0.07 0.00 0.00 0.00 0.00 47.33 47.37 1r2t h GLY 190 CO -0.01 0.11 -0.06 -0.25 0.00 0.00 0.00 176.54 176.33 1r2t h TRP 191 N 0.21 0.70 -0.57 5.60 7.01 -0.33 -2.90 115.95 125.67 1r2t h TRP 191 Ca 0.05 -0.14 -0.02 0.00 2.11 0.00 0.00 58.89 60.89 1r2t h TRP 191 Cb 0.23 -0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 27.09 1r2t h TRP 191 CO 0.00 0.78 0.28 -0.07 -2.79 0.00 0.00 178.44 176.65 1r2t h LEU 192 N 0.41 0.73 -1.13 0.65 3.38 -0.91 -1.38 115.31 117.06 1r2t h LEU 192 Ca 0.09 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 57.99 1r2t h LEU 192 Cb 0.54 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 1r2t h LEU 192 CO 0.03 0.64 0.59 0.50 0.09 0.00 0.00 178.44 180.30 1r2t h LYS 193 N 0.76 1.05 -0.03 1.13 3.64 -1.20 -0.64 116.57 121.28 1r2t h LYS 193 Ca 0.20 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1r2t h LYS 193 Cb 0.10 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1r2t h LYS 193 CO -0.03 0.70 0.00 -1.13 -2.27 0.00 0.00 179.45 176.72 1r2t n SER 194 N -4.47 2.25 0.00 4.20 3.41 -1.10 -4.03 113.62 113.88 1r2t n SER 194 Ca 0.13 -1.62 0.00 0.00 -0.26 0.00 0.00 58.87 57.12 1r2t n SER 194 Cb 0.15 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 1r2t n SER 194 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1r2t n ASN 195 N 0.82 4.67 0.00 4.04 4.13 -0.53 -4.97 115.26 123.42 1r2t n ASN 195 Ca 0.09 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.35 1r2t n ASN 195 Cb 0.37 0.73 0.00 0.00 -1.54 0.00 0.00 39.78 39.34 1r2t n ASN 195 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1r2t n VAL 196 N -1.62 0.00 -3.57 2.41 0.31 -0.34 -5.05 118.33 110.47 1r2t n VAL 196 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 1r2t n VAL 196 Cb 0.20 -0.71 -0.02 0.00 -0.91 0.00 0.00 33.84 32.41 1r2t n VAL 196 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1r2t s SER 197 N 0.06 -0.25 0.18 4.52 1.04 -0.65 -5.01 113.70 113.59 1r2t s SER 197 Ca 0.00 -0.07 -0.10 0.00 0.48 0.00 0.00 55.95 56.26 1r2t s SER 197 Cb 0.00 0.31 0.08 0.00 0.10 0.00 0.00 66.02 66.51 1r2t s SER 197 CO 0.00 -0.52 1.68 -0.78 0.98 0.00 0.00 173.24 174.60 1r2t h ASP 198 N 2.00 0.99 -0.76 7.02 3.58 -1.82 -2.20 116.42 125.22 1r2t h ASP 198 Ca -0.19 -0.25 -0.03 0.00 0.42 0.00 0.00 57.03 56.97 1r2t h ASP 198 Cb 1.21 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 41.97 1r2t h ASP 198 CO 0.28 0.99 0.35 0.00 -2.88 0.00 0.00 179.24 177.98 1r2t h ALA 199 N 1.03 1.17 -0.09 -0.78 0.00 -1.95 -1.18 119.26 117.47 1r2t h ALA 199 Ca 0.19 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.75 1r2t h ALA 199 Cb 0.41 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1r2t h ALA 199 CO 0.01 0.62 -0.75 0.28 0.00 0.00 0.00 179.25 179.42 1r2t h VAL 200 N 1.10 1.36 -0.66 0.00 2.07 -1.91 -2.63 116.25 115.58 1r2t h VAL 200 Ca 0.26 -2.11 0.00 0.00 0.82 0.00 0.00 66.70 65.68 1r2t h VAL 200 Cb 0.13 2.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.96 1r2t h VAL 200 CO -0.03 0.64 0.43 0.00 0.02 0.00 0.00 177.57 178.63 1r2t h ALA 201 N 0.85 0.84 0.00 1.67 0.00 -0.96 -1.98 119.26 119.68 1r2t h ALA 201 Ca -0.04 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 1r2t h ALA 201 Cb 1.33 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1r2t h ALA 201 CO 0.13 0.28 -0.66 1.96 0.00 0.00 0.00 179.25 180.96 1r2t h GLN 202 N 0.90 0.00 0.00 0.00 7.50 -1.18 -3.34 115.11 118.98 1r2t h GLN 202 Ca 0.24 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.39 1r2t h GLN 202 Cb -0.09 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.44 1r2t h GLN 202 CO -0.05 0.66 -1.37 -1.13 -1.50 0.00 0.00 178.83 175.44 1r2t n SER 203 N -3.52 0.73 -4.65 1.46 3.41 -1.00 -4.69 113.62 105.35 1r2t n SER 203 Ca -0.00 -0.49 -0.41 0.00 -0.26 0.00 0.00 58.87 57.71 1r2t n SER 203 Cb 0.71 1.43 -0.05 0.00 -0.26 0.00 0.00 64.21 66.04 1r2t n SER 203 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1r2t s THR 204 N -3.06 4.89 0.10 6.66 2.01 -0.75 -4.89 115.64 120.60 1r2t s THR 204 Ca 0.00 1.49 -0.31 0.00 0.31 0.00 0.00 61.69 63.18 1r2t s THR 204 Cb 0.13 -4.08 -0.08 0.00 0.01 0.00 0.00 72.50 68.48 1r2t s THR 204 CO 0.79 -0.01 1.52 -0.13 -0.69 0.00 0.00 174.62 176.10 1r2t s ARG 205 N 2.52 4.25 -0.31 4.92 3.00 -1.26 -4.95 118.95 127.11 1r2t s ARG 205 Ca 0.34 2.22 -0.02 0.00 0.00 0.00 0.00 55.73 58.26 1r2t s ARG 205 Cb -0.16 -3.38 0.05 0.00 0.00 0.00 0.00 34.95 31.47 1r2t s ARG 205 CO 0.09 -0.60 0.03 0.42 0.00 0.00 0.00 175.30 175.25 1r2t s ILE 206 N 1.78 3.12 0.12 1.52 1.01 -1.26 -1.36 121.20 126.13 1r2t s ILE 206 Ca 0.69 -1.41 0.02 0.00 0.00 0.00 0.00 60.65 59.95 1r2t s ILE 206 Cb -0.39 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 39.22 1r2t s ILE 206 CO 0.31 -0.17 0.23 0.27 0.00 0.00 0.00 174.94 175.57 1r2t s ILE 207 N 1.26 5.15 -0.18 2.92 -4.36 0.20 -1.56 121.20 124.62 1r2t s ILE 207 Ca -0.03 -0.68 -0.18 0.00 -0.26 0.00 0.00 60.65 59.49 1r2t s ILE 207 Cb -0.20 -3.60 -0.03 0.00 1.25 0.00 0.00 42.46 39.87 1r2t s ILE 207 CO -0.01 -0.02 0.49 -0.47 0.24 0.00 0.00 174.94 175.17 1r2t s TYR 208 N -1.66 3.40 -1.10 1.37 5.04 0.68 -0.52 117.35 124.56 1r2t s TYR 208 Ca 0.34 0.78 0.12 0.00 -2.44 0.00 0.00 57.07 55.86 1r2t s TYR 208 Cb -0.11 -2.63 0.32 0.00 0.35 0.00 0.00 41.96 39.89 1r2t s TYR 208 CO 0.27 -0.03 1.25 0.41 -1.34 0.00 0.00 175.55 176.10 1r2t n GLY 209 N 3.76 2.43 1.80 8.97 0.00 0.95 -0.92 105.19 122.18 1r2t n GLY 209 Ca -0.06 -0.42 -0.13 0.00 0.00 0.00 0.00 46.02 45.42 1r2t n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r2t n GLY 210 N 0.65 -0.75 3.69 -0.02 0.00 -1.25 -4.72 105.19 102.78 1r2t n GLY 210 Ca 0.12 -1.77 -0.42 0.00 0.00 0.00 0.00 46.02 43.95 1r2t n GLY 210 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1r2t s SER 211 N -3.16 6.56 -0.04 1.61 0.15 -1.26 -4.82 113.70 112.74 1r2t s SER 211 Ca 0.34 2.53 0.00 0.00 0.70 0.00 0.00 55.95 59.53 1r2t s SER 211 Cb -0.01 -2.56 0.02 0.00 -1.71 0.00 0.00 66.02 61.76 1r2t s SER 211 CO 0.23 -0.92 -0.02 0.54 1.20 0.00 0.00 173.24 174.28 1r2t s VAL 212 N 2.82 0.36 0.00 4.45 0.11 -1.26 -4.98 120.40 121.89 1r2t s VAL 212 Ca 0.76 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.81 1r2t s VAL 212 Cb -0.41 -0.43 0.00 0.00 -1.53 0.00 0.00 36.38 34.01 1r2t s VAL 212 CO 0.33 0.20 0.00 0.35 -3.33 0.00 0.00 175.10 172.65 1r2t n THR 213 N 4.24 0.00 0.02 5.04 -2.24 -1.26 -4.77 114.28 115.31 1r2t n THR 213 Ca -0.23 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.57 1r2t n THR 213 Cb 0.51 -0.10 -0.10 0.00 -2.10 0.00 0.00 70.33 68.54 1r2t n THR 213 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r2t n GLY 214 N 5.00 -1.17 0.14 3.38 0.00 -1.26 -2.47 105.19 108.81 1r2t n GLY 214 Ca 0.00 -0.24 -0.21 0.00 0.00 0.00 0.00 46.02 45.57 1r2t n GLY 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r2t n ALA 215 N -2.39 1.01 0.40 4.61 0.00 -1.26 -4.45 120.51 118.42 1r2t n ALA 215 Ca -0.11 -0.70 0.11 0.00 0.00 0.00 0.00 53.44 52.74 1r2t n ALA 215 Cb 0.79 -0.55 -0.11 0.00 0.00 0.00 0.00 19.45 19.58 1r2t n ALA 215 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1r2t n THR 216 N -3.44 0.06 0.00 0.00 5.66 -1.24 -4.39 114.28 110.94 1r2t n THR 216 Ca -0.35 -0.31 0.21 0.00 -3.05 0.00 0.00 64.05 60.55 1r2t n THR 216 Cb 1.03 0.31 0.72 0.00 -1.55 0.00 0.00 70.33 70.84 1r2t n THR 216 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1r2t h LYS 218 N 0.00 -0.17 -0.97 0.00 6.56 -1.83 -0.66 116.57 119.50 1r2t h LYS 218 Ca 0.26 0.01 -0.00 0.00 -1.06 0.00 0.00 60.65 59.86 1r2t h LYS 218 Cb 1.12 0.04 -0.05 0.00 -0.57 0.00 0.00 32.23 32.77 1r2t h LYS 218 CO -0.00 0.24 0.60 1.49 -2.06 0.00 0.00 179.45 179.71 1r2t h GLU 219 N -0.64 1.30 -0.26 3.15 4.81 -1.87 -2.34 114.58 118.73 1r2t h GLU 219 Ca -0.02 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1r2t h GLU 219 Cb 0.49 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 1r2t h GLU 219 CO 0.03 0.90 0.16 -0.07 -0.73 0.00 0.00 179.01 179.30 1r2t h LEU 220 N 1.33 0.32 -1.71 1.64 3.38 -1.52 -2.95 115.31 115.79 1r2t h LEU 220 Ca 0.35 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.26 1r2t h LEU 220 Cb -0.08 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 1r2t h LEU 220 CO -0.07 0.27 -0.08 0.00 0.09 0.00 0.00 178.44 178.65 1r2t h ALA 221 N 1.06 1.07 0.00 1.53 0.00 -0.87 -2.60 119.26 119.46 1r2t h ALA 221 Ca 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1r2t h ALA 221 Cb 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1r2t h ALA 221 CO -0.02 0.09 0.00 0.43 0.00 0.00 0.00 179.25 179.76 1r2t n SER 222 N -3.28 0.38 -4.73 0.00 7.64 -0.90 -4.85 113.62 107.88 1r2t n SER 222 Ca -0.01 0.55 -0.42 0.00 1.01 0.00 0.00 58.87 60.01 1r2t n SER 222 Cb 0.28 -0.65 -0.03 0.00 -1.01 0.00 0.00 64.21 62.80 1r2t n SER 222 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1r2t s GLN 223 N -3.08 4.42 0.37 1.43 -1.52 -0.98 -4.91 119.66 115.39 1r2t s GLN 223 Ca 0.11 1.95 0.13 0.00 -1.95 0.00 0.00 55.36 55.60 1r2t s GLN 223 Cb 0.14 -3.25 0.96 0.00 -0.22 0.00 0.00 33.01 30.65 1r2t s GLN 223 CO 0.51 -0.23 1.80 -1.35 -0.25 0.00 0.00 175.29 175.76 1r2t h PRO 224 N 5.83 0.52 -0.20 2.91 0.11 -1.90 -2.27 132.00 137.00 1r2t h PRO 224 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1r2t h PRO 224 Cb 1.21 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1r2t h PRO 224 CO 0.79 0.34 0.00 -0.25 -0.21 0.00 0.00 178.00 178.67 1r2t n ASP 225 N -4.65 2.86 -4.59 -2.05 8.00 -1.26 -4.86 116.55 110.01 1r2t n ASP 225 Ca 0.23 -1.85 -0.40 0.00 0.71 0.00 0.00 54.79 53.49 1r2t n ASP 225 Cb 0.71 -0.12 -0.09 0.00 -0.02 0.00 0.00 41.12 41.60 1r2t n ASP 225 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1r2t s VAL 226 N -1.38 5.16 -0.85 2.53 1.01 -0.86 -4.61 120.40 121.39 1r2t s VAL 226 Ca 0.27 0.41 0.16 0.00 0.00 0.00 0.00 61.98 62.82 1r2t s VAL 226 Cb 0.17 -3.75 0.53 0.00 0.00 0.00 0.00 36.38 33.33 1r2t s VAL 226 CO 0.24 0.06 1.45 0.47 0.00 0.00 0.00 175.10 177.33 1r2t n ASP 227 N 5.38 3.90 0.00 3.32 8.00 -0.60 -4.70 116.55 131.85 1r2t n ASP 227 Ca -0.08 -2.42 0.00 0.00 0.71 0.00 0.00 54.79 52.99 1r2t n ASP 227 Cb 0.50 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 1r2t n ASP 227 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r2t n GLY 228 N 0.53 0.87 3.11 0.44 0.00 -1.26 -1.31 105.19 107.57 1r2t n GLY 228 Ca 0.20 -1.80 -0.12 0.00 0.00 0.00 0.00 46.02 44.30 1r2t n GLY 228 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1r2t s PHE 229 N -3.17 -0.05 -0.36 1.61 0.40 -0.31 -0.23 117.98 115.87 1r2t s PHE 229 Ca 0.00 0.08 -0.04 0.00 -0.60 0.00 0.00 56.93 56.37 1r2t s PHE 229 Cb 0.00 -0.00 0.07 0.00 0.51 0.00 0.00 43.02 43.60 1r2t s PHE 229 CO 0.00 -0.25 0.12 -1.17 0.70 0.00 0.00 175.22 174.62 1r2t s LEU 230 N -0.97 4.60 -0.07 -0.37 2.96 -0.10 -0.70 118.68 124.02 1r2t s LEU 230 Ca -0.11 -1.55 -0.21 0.00 -0.22 0.00 0.00 54.13 52.05 1r2t s LEU 230 Cb -0.06 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 1r2t s LEU 230 CO 0.01 -0.40 0.61 -0.69 -1.32 0.00 0.00 176.35 174.56 1r2t s VAL 231 N 1.26 5.06 0.00 1.68 1.01 0.21 -4.39 120.40 125.23 1r2t s VAL 231 Ca 0.01 1.26 0.00 0.00 0.00 0.00 0.00 61.98 63.25 1r2t s VAL 231 Cb -0.21 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.22 1r2t s VAL 231 CO -0.01 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.01 1r2t n GLY 232 N 3.01 1.40 0.31 4.51 0.00 -1.26 0.26 105.19 113.42 1r2t n GLY 232 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.96 1r2t n GLY 232 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1r2t h GLY 233 N 0.00 0.89 1.62 -0.02 0.00 -1.96 -1.58 103.07 102.02 1r2t h GLY 233 Ca 0.00 -0.45 0.02 0.00 0.00 0.00 0.00 47.33 46.90 1r2t h GLY 233 CO 0.00 0.43 0.17 0.00 0.00 0.00 0.00 176.54 177.14 1r2t h ALA 234 N 1.42 1.47 0.00 3.60 0.00 -1.89 -2.56 119.26 121.29 1r2t h ALA 234 Ca 0.19 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1r2t h ALA 234 Cb 0.17 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1r2t h ALA 234 CO -0.02 -0.21 -0.02 0.66 0.00 0.00 0.00 179.25 179.66 1r2t h SER 235 N 0.00 0.00 -0.12 0.00 4.64 -1.53 -1.37 113.55 115.17 1r2t h SER 235 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1r2t h SER 235 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1r2t h SER 235 CO -0.00 0.02 0.00 0.18 -0.87 0.00 0.00 176.83 176.16 1r2t n LEU 236 N -3.26 1.20 -4.33 5.97 4.77 -0.97 -4.83 117.00 115.56 1r2t n LEU 236 Ca -0.02 -0.50 -0.18 0.00 -0.03 0.00 0.00 56.01 55.28 1r2t n LEU 236 Cb 0.14 -0.08 -0.10 0.00 -2.33 0.00 0.00 43.42 41.05 1r2t n LEU 236 CO 0.24 0.25 -0.44 -0.54 -1.33 0.00 0.00 177.39 175.57 1r2t s LYS 237 N -1.85 1.27 0.41 3.23 1.02 -0.52 -4.97 119.74 118.34 1r2t s LYS 237 Ca 0.31 -1.55 0.22 0.00 0.02 0.00 0.00 55.97 54.97 1r2t s LYS 237 Cb 0.16 -1.04 1.22 0.00 -0.52 0.00 0.00 37.83 37.66 1r2t s LYS 237 CO 0.25 0.17 1.71 -1.35 -0.92 0.00 0.00 175.35 175.20 1r2t h PRO 238 N 2.64 0.26 0.00 -1.68 0.11 -1.92 -1.26 132.00 130.15 1r2t h PRO 238 Ca -0.38 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1r2t h PRO 238 Cb 1.21 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1r2t h PRO 238 CO 0.62 0.17 0.00 -0.85 -0.21 0.00 0.00 178.00 177.73 1r2t n GLU 239 N -4.68 0.14 0.01 1.05 0.28 -1.26 -0.93 120.64 115.25 1r2t n GLU 239 Ca 0.30 0.59 0.07 0.00 -0.16 0.00 0.00 57.16 57.96 1r2t n GLU 239 Cb 1.09 -1.92 0.48 0.00 1.43 0.00 0.00 31.44 32.51 1r2t n GLU 239 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 1r2t h PHE 240 N 0.00 0.42 -0.56 -1.84 3.57 -1.27 -1.81 116.94 115.45 1r2t h PHE 240 Ca 0.00 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.41 1r2t h PHE 240 Cb 0.07 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 1r2t h PHE 240 CO 0.00 0.25 -0.03 0.28 -2.23 0.00 0.00 178.31 176.58 1r2t h VAL 241 N 0.44 1.26 -0.93 1.41 2.07 -1.24 0.10 116.25 119.36 1r2t h VAL 241 Ca 0.16 -1.16 0.02 0.00 0.82 0.00 0.00 66.70 66.54 1r2t h VAL 241 Cb 0.11 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 1r2t h VAL 241 CO -0.04 0.42 0.62 0.44 0.02 0.00 0.00 177.57 179.02 1r2t h ASP 242 N 0.91 1.05 0.00 0.57 3.32 -1.46 -2.75 116.42 118.06 1r2t h ASP 242 Ca 0.16 -0.02 -0.15 0.00 0.02 0.00 0.00 57.03 57.04 1r2t h ASP 242 Cb 0.57 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1r2t h ASP 242 CO 0.03 0.75 -0.49 0.40 -1.72 0.00 0.00 179.24 178.21 1r2t h ILE 243 N 1.23 1.31 -0.82 0.35 2.04 -0.78 -2.36 117.51 118.49 1r2t h ILE 243 Ca 0.35 -1.71 0.16 0.00 1.00 0.00 0.00 64.86 64.66 1r2t h ILE 243 Cb -0.09 1.69 -0.06 0.00 -0.74 0.00 0.00 36.82 37.62 1r2t h ILE 243 CO -0.09 0.53 0.54 0.40 0.00 0.00 0.00 178.15 179.54 1r2t h ILE 244 N 0.44 0.78 -0.47 -0.67 2.04 -0.73 -2.49 117.51 116.41 1r2t h ILE 244 Ca 0.02 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1r2t h ILE 244 Cb 1.02 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 1r2t h ILE 244 CO 0.09 0.09 0.00 0.59 0.00 0.00 0.00 178.15 178.92 1r2t n ASN 245 N -4.51 3.65 0.11 1.72 3.02 -0.90 -4.73 115.26 113.63 1r2t n ASN 245 Ca 0.16 -2.34 0.18 0.00 -0.03 0.00 0.00 54.58 52.55 1r2t n ASN 245 Cb 0.55 -0.50 0.74 0.00 -0.61 0.00 0.00 39.78 39.96 1r2t n ASN 245 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1r2t h ALA 246 N 3.71 2.15 0.08 5.41 0.00 -1.27 -3.16 119.26 126.18 1r2t h ALA 246 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1r2t h ALA 246 Cb 1.15 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1r2t h ALA 246 CO 0.18 -0.45 -0.04 0.87 0.00 0.00 0.00 179.25 179.81 1r2t h LYS 247 N 0.00 -0.11 0.00 0.00 1.79 -1.87 -3.43 116.57 112.96 1r2t h LYS 247 Ca 0.16 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1r2t h LYS 247 Cb 0.72 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.40 1r2t h LYS 247 CO -0.00 0.16 0.00 0.94 -1.08 0.00 0.00 179.45 179.46