#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c3t s LEU 3 N 0.00 4.34 -0.02 0.99 2.96 -1.26 -4.34 118.68 121.34 2c3t s LEU 3 Ca 0.00 2.10 0.07 0.00 -0.22 0.00 0.00 54.13 56.07 2c3t s LEU 3 Cb 0.00 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 43.10 2c3t s LEU 3 CO 0.00 -0.61 -0.22 -1.61 -1.32 0.00 0.00 176.35 172.59 2c3t s GLU 4 N 1.64 1.89 -0.21 1.98 2.02 0.25 0.59 118.70 126.86 2c3t s GLU 4 Ca 0.61 -0.79 0.01 0.00 0.02 0.00 0.00 54.97 54.82 2c3t s GLU 4 Cb -0.31 -1.78 0.05 0.00 0.10 0.00 0.00 34.13 32.19 2c3t s GLU 4 CO 0.28 0.45 -0.07 -0.51 0.02 0.00 0.00 175.26 175.42 2c3t s LEU 5 N -0.43 2.28 -0.59 1.80 1.43 -0.20 -1.53 118.68 121.43 2c3t s LEU 5 Ca 0.06 -0.97 -0.24 0.00 -1.03 0.00 0.00 54.13 51.95 2c3t s LEU 5 Cb -0.09 -1.15 0.05 0.00 0.03 0.00 0.00 46.19 45.03 2c3t s LEU 5 CO -0.00 -0.19 0.97 -0.31 0.23 0.00 0.00 176.35 177.05 2c3t s TYR 6 N 1.44 2.72 0.30 0.29 1.51 0.30 -2.06 117.35 121.86 2c3t s TYR 6 Ca -0.03 -0.17 0.04 0.00 -1.01 0.00 0.00 57.07 55.90 2c3t s TYR 6 Cb -0.17 -4.17 -0.06 0.00 -0.11 0.00 0.00 41.96 37.44 2c3t s TYR 6 CO -0.07 -1.48 0.04 -0.51 -1.11 0.00 0.00 175.55 172.41 2c3t s LEU 7 N 4.10 2.20 -0.27 -1.29 1.43 -0.88 -2.24 118.68 121.72 2c3t s LEU 7 Ca 0.28 -1.33 -0.01 0.00 -1.03 0.00 0.00 54.13 52.04 2c3t s LEU 7 Cb -0.13 -0.38 0.16 0.00 0.03 0.00 0.00 46.19 45.87 2c3t s LEU 7 CO 0.16 -0.57 0.49 -0.62 0.23 0.00 0.00 176.35 176.05 2c3t s ASP 8 N -3.45 -0.61 0.00 2.29 -1.08 -1.26 -0.50 116.67 112.06 2c3t s ASP 8 Ca 0.35 0.49 0.04 0.00 -0.52 0.00 0.00 52.55 52.90 2c3t s ASP 8 Cb 0.08 1.65 0.21 0.00 -1.46 0.00 0.00 42.92 43.40 2c3t s ASP 8 CO 0.14 -0.28 0.57 0.18 0.52 0.00 0.00 175.17 176.30 2c3t n LEU 9 N 5.40 0.00 0.08 -1.34 4.77 -1.26 -1.08 117.00 123.56 2c3t n LEU 9 Ca -0.02 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.75 2c3t n LEU 9 Cb 0.51 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.45 2c3t n LEU 9 CO 0.03 0.00 -0.04 0.25 -1.33 0.00 0.00 177.39 176.31 2c3t h LEU 10 N 0.00 0.60 -9.62 2.23 5.85 -1.92 -3.36 115.31 109.08 2c3t h LEU 10 Ca 0.00 -0.94 -0.53 0.00 0.84 0.00 0.00 57.88 57.26 2c3t h LEU 10 Cb 0.00 -0.19 0.04 0.00 0.37 0.00 0.00 40.66 40.88 2c3t h LEU 10 CO 0.00 1.49 0.83 -0.55 -0.34 0.00 0.00 178.44 179.88 2c3t s SER 11 N -7.17 6.64 0.08 1.25 0.15 -0.24 -4.81 113.70 109.60 2c3t s SER 11 Ca -0.12 2.58 -0.29 0.00 0.70 0.00 0.00 55.95 58.81 2c3t s SER 11 Cb 0.02 -2.60 -0.17 0.00 -1.71 0.00 0.00 66.02 61.56 2c3t s SER 11 CO 0.87 -0.77 1.66 -0.61 1.20 0.00 0.00 173.24 175.59 2c3t h GLN 12 N 6.49 -0.57 -0.01 5.44 -0.00 -1.87 -2.93 115.11 121.65 2c3t h GLN 12 Ca -0.43 0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.26 2c3t h GLN 12 Cb 1.21 0.13 -0.00 0.00 0.00 0.00 0.00 27.48 28.82 2c3t h GLN 12 CO 0.88 -0.38 0.01 -1.00 0.00 0.00 0.00 178.83 178.34 2c3t h PRO 13 N -0.59 0.00 -0.47 -2.39 0.13 -1.92 -2.36 132.00 124.40 2c3t h PRO 13 Ca -0.06 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.98 2c3t h PRO 13 Cb 0.46 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.57 2c3t h PRO 13 CO 0.09 0.00 -0.05 0.00 -0.23 0.00 0.00 178.00 177.81 2c3t h ARG 15 N 0.71 0.75 -0.47 0.00 3.08 -1.25 0.43 114.38 117.62 2c3t h ARG 15 Ca 0.13 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 2c3t h ARG 15 Cb 0.58 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 2c3t h ARG 15 CO 0.03 0.66 0.18 0.00 -1.07 0.00 0.00 179.97 179.77 2c3t h ALA 16 N 1.43 0.61 -0.20 0.04 0.00 -1.29 0.01 119.26 119.86 2c3t h ALA 16 Ca 0.17 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 2c3t h ALA 16 Cb 0.24 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2c3t h ALA 16 CO -0.01 0.24 -0.23 0.28 0.00 0.00 0.00 179.25 179.53 2c3t h VAL 17 N 0.62 1.33 -0.29 0.00 2.07 -0.92 -2.44 116.25 116.63 2c3t h VAL 17 Ca 0.16 -1.40 0.02 0.00 0.82 0.00 0.00 66.70 66.30 2c3t h VAL 17 Cb 0.22 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 2c3t h VAL 17 CO -0.01 0.43 0.14 0.22 0.02 0.00 0.00 177.57 178.37 2c3t h TYR 18 N 0.19 0.26 -0.57 1.57 3.20 -0.04 -0.47 116.97 121.10 2c3t h TYR 18 Ca 0.03 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.84 2c3t h TYR 18 Cb 0.78 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.95 2c3t h TYR 18 CO 0.08 0.14 0.08 0.82 -1.64 0.00 0.00 178.16 177.65 2c3t h ILE 19 N 0.30 1.25 -0.40 1.81 2.04 -1.04 -1.81 117.51 119.65 2c3t h ILE 19 Ca 0.12 -0.96 -0.08 0.00 1.00 0.00 0.00 64.86 64.94 2c3t h ILE 19 Cb 0.05 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 2c3t h ILE 19 CO -0.09 0.35 -0.08 0.15 0.00 0.00 0.00 178.15 178.49 2c3t h PHE 20 N 0.87 0.86 -0.13 1.37 3.57 -0.96 -0.89 116.94 121.63 2c3t h PHE 20 Ca 0.18 -0.18 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 2c3t h PHE 20 Cb 0.40 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 38.92 2c3t h PHE 20 CO 0.02 0.88 0.01 0.00 -2.23 0.00 0.00 178.31 177.00 2c3t h ALA 21 N 0.85 0.18 0.09 2.41 0.00 -0.89 -2.67 119.26 119.24 2c3t h ALA 21 Ca 0.10 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2c3t h ALA 21 Cb 0.60 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2c3t h ALA 21 CO 0.04 -0.13 -0.04 0.87 0.00 0.00 0.00 179.25 179.98 2c3t h LYS 22 N -0.02 -0.12 -0.87 0.00 1.79 -1.31 -0.63 116.57 115.42 2c3t h LYS 22 Ca 0.04 0.01 0.16 0.00 -2.18 0.00 0.00 60.65 58.67 2c3t h LYS 22 Cb 0.35 0.03 -0.10 0.00 -1.58 0.00 0.00 32.23 30.93 2c3t h LYS 22 CO 0.01 0.11 0.45 -0.22 -1.08 0.00 0.00 179.45 178.71 2c3t h LYS 23 N -0.33 0.60 -0.12 3.15 1.63 -1.22 -0.94 116.57 119.34 2c3t h LYS 23 Ca -0.01 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 2c3t h LYS 23 Cb 0.28 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.78 2c3t h LYS 23 CO 0.02 0.40 0.00 0.09 -3.45 0.00 0.00 179.45 176.51 2c3t n ASN 24 N -4.88 1.54 -2.93 4.20 3.02 -1.01 -4.94 115.26 110.27 2c3t n ASN 24 Ca 0.18 -1.63 -0.22 0.00 -0.03 0.00 0.00 54.58 52.87 2c3t n ASN 24 Cb 0.46 -0.07 0.03 0.00 -0.61 0.00 0.00 39.78 39.59 2c3t n ASN 24 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2c3t n ASP 25 N 0.23 -6.13 -4.65 6.41 8.00 -0.36 -4.95 116.55 115.10 2c3t n ASP 25 Ca 0.17 -0.25 -0.43 0.00 0.71 0.00 0.00 54.79 54.99 2c3t n ASP 25 Cb 0.32 -4.97 -0.02 0.00 -0.02 0.00 0.00 41.12 36.43 2c3t n ASP 25 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2c3t s ILE 26 N -3.16 4.38 -0.24 0.53 1.01 -0.29 -4.97 121.20 118.45 2c3t s ILE 26 Ca 0.26 1.63 -0.29 0.00 0.00 0.00 0.00 60.65 62.25 2c3t s ILE 26 Cb -0.12 -4.16 -0.02 0.00 0.01 0.00 0.00 42.46 38.17 2c3t s ILE 26 CO 0.32 -0.26 1.63 -2.84 0.00 0.00 0.00 174.94 173.79 2c3t s PRO 27 N 3.59 3.74 0.13 2.79 0.02 -1.26 -4.73 135.00 139.27 2c3t s PRO 27 Ca 0.51 1.61 0.00 0.00 0.02 0.00 0.00 61.00 63.14 2c3t s PRO 27 Cb -0.18 -4.05 -0.04 0.00 0.02 0.00 0.00 34.50 30.25 2c3t s PRO 27 CO 0.14 -1.37 0.02 -0.59 -0.33 0.00 0.00 177.00 174.88 2c3t s PHE 28 N 5.39 0.92 -0.22 6.54 -0.12 -1.26 -4.58 117.98 124.65 2c3t s PHE 28 Ca 0.72 -1.12 -0.08 0.00 -0.05 0.00 0.00 56.93 56.40 2c3t s PHE 28 Cb -0.24 -0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 41.58 2c3t s PHE 28 CO 0.30 -0.38 0.08 -2.00 -0.05 0.00 0.00 175.22 173.16 2c3t s GLU 29 N -3.97 3.85 -0.19 1.99 2.56 0.20 -4.97 118.70 118.16 2c3t s GLU 29 Ca 0.21 -0.39 -0.24 0.00 0.00 0.00 0.00 54.97 54.55 2c3t s GLU 29 Cb 0.07 -3.30 -0.02 0.00 2.00 0.00 0.00 34.13 32.88 2c3t s GLU 29 CO 0.00 0.05 0.77 -1.17 -0.56 0.00 0.00 175.26 174.35 2c3t s LEU 30 N 0.98 4.14 -0.53 2.70 2.96 -1.26 -1.03 118.68 126.64 2c3t s LEU 30 Ca 0.04 1.03 0.03 0.00 -0.22 0.00 0.00 54.13 55.02 2c3t s LEU 30 Cb -0.14 -3.11 0.13 0.00 0.50 0.00 0.00 46.19 43.57 2c3t s LEU 30 CO 0.03 -0.38 0.28 -0.13 -1.32 0.00 0.00 176.35 174.83 2c3t s ARG 31 N 2.21 2.04 -0.30 1.98 1.81 -0.88 -4.97 118.95 120.84 2c3t s ARG 31 Ca 0.34 -2.60 -0.29 0.00 -1.72 0.00 0.00 55.73 51.46 2c3t s ARG 31 Cb -0.16 -3.37 -0.01 0.00 -0.45 0.00 0.00 34.95 30.96 2c3t s ARG 31 CO 0.11 -1.11 1.54 0.42 -0.68 0.00 0.00 175.30 175.57 2c3t s ILE 32 N -0.25 3.80 -0.39 1.52 1.01 -1.26 -2.08 121.20 123.55 2c3t s ILE 32 Ca 0.17 0.86 -0.14 0.00 0.00 0.00 0.00 60.65 61.54 2c3t s ILE 32 Cb -0.25 -3.91 0.01 0.00 0.01 0.00 0.00 42.46 38.32 2c3t s ILE 32 CO -0.01 -0.47 0.29 -0.69 0.00 0.00 0.00 174.94 174.07 2c3t s VAL 33 N 5.40 5.26 -0.39 2.92 1.01 0.34 -4.95 120.40 129.99 2c3t s VAL 33 Ca 0.67 -0.51 -0.27 0.00 0.00 0.00 0.00 61.98 61.88 2c3t s VAL 33 Cb -0.20 -3.87 0.02 0.00 0.00 0.00 0.00 36.38 32.33 2c3t s VAL 33 CO 0.30 -0.22 0.97 -0.62 0.00 0.00 0.00 175.10 175.53 2c3t s ASP 34 N 1.70 6.68 0.38 3.32 3.68 -1.26 -4.31 116.67 126.86 2c3t s ASP 34 Ca 0.06 0.56 0.20 0.00 2.13 0.00 0.00 52.55 55.50 2c3t s ASP 34 Cb -0.18 -2.48 0.24 0.00 -1.45 0.00 0.00 42.92 39.05 2c3t s ASP 34 CO 0.10 -0.94 1.55 -0.07 0.13 0.00 0.00 175.17 175.94 2c3t h LEU 35 N 10.30 0.00 0.00 -1.34 3.38 -1.95 -1.97 115.31 123.72 2c3t h LEU 35 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2c3t h LEU 35 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2c3t h LEU 35 CO 1.01 0.18 0.00 2.30 0.09 0.00 0.00 178.44 182.03 2c3t n ILE 36 N -3.15 0.01 0.00 1.22 -5.35 -1.26 -2.77 119.36 108.06 2c3t n ILE 36 Ca 0.03 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.51 2c3t n ILE 36 Cb 0.60 -0.59 0.00 0.00 -1.74 0.00 0.00 39.64 37.92 2c3t n ILE 36 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 2c3t n LYS 37 N -1.01 4.60 -0.75 6.28 5.02 -1.20 -5.01 118.16 126.08 2c3t n LYS 37 Ca 0.20 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 2c3t n LYS 37 Cb 0.10 -0.64 0.00 0.00 -0.02 0.00 0.00 35.03 34.47 2c3t n LYS 37 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2c3t n GLY 38 N 1.42 0.54 0.12 0.72 0.00 -1.11 -4.91 105.19 101.96 2c3t n GLY 38 Ca 0.00 -0.77 0.08 0.00 0.00 0.00 0.00 46.02 45.32 2c3t n GLY 38 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2c3t n GLN 39 N -2.75 0.10 0.11 1.61 7.27 -0.75 -0.92 117.38 122.05 2c3t n GLN 39 Ca 0.00 0.59 0.12 0.00 0.07 0.00 0.00 57.00 57.78 2c3t n GLN 39 Cb 0.00 -1.85 0.05 0.00 2.41 0.00 0.00 30.24 30.85 2c3t n GLN 39 CO 0.00 0.00 0.00 1.12 0.07 0.00 0.00 177.06 178.25 2c3t h HIS 40 N 0.00 0.00 -0.02 3.69 2.07 -1.92 -3.30 115.15 115.67 2c3t h HIS 40 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2c3t h HIS 40 Cb 0.06 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.04 2c3t h HIS 40 CO 0.00 0.00 -0.10 1.28 -3.07 0.00 0.00 177.93 176.04 2c3t n LEU 41 N -2.64 1.64 -4.79 6.12 7.99 -0.10 -4.55 117.00 120.68 2c3t n LEU 41 Ca 0.01 -0.53 -0.29 0.00 -0.01 0.00 0.00 56.01 55.19 2c3t n LEU 41 Cb 0.53 -0.03 0.12 0.00 -0.11 0.00 0.00 43.42 43.93 2c3t n LEU 41 CO 0.39 0.28 0.71 -0.94 -1.51 0.00 0.00 177.39 176.32 2c3t s SER 42 N -2.17 3.88 0.26 -1.43 1.04 -1.22 -4.90 113.70 109.17 2c3t s SER 42 Ca 0.31 1.13 0.04 0.00 0.48 0.00 0.00 55.95 57.92 2c3t s SER 42 Cb 0.20 -1.78 0.33 0.00 0.10 0.00 0.00 66.02 64.87 2c3t s SER 42 CO 0.40 -2.33 1.62 0.44 0.98 0.00 0.00 173.24 174.34 2c3t h ASP 43 N -1.34 0.32 0.77 7.02 3.45 -1.93 -1.86 116.42 122.84 2c3t h ASP 43 Ca -0.49 -0.15 -0.04 0.00 0.43 0.00 0.00 57.03 56.77 2c3t h ASP 43 Cb 1.30 -0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 39.98 2c3t h ASP 43 CO 0.60 0.76 -0.21 0.00 -1.57 0.00 0.00 179.24 178.82 2c3t h ALA 44 N 1.25 1.08 0.00 3.45 0.00 -1.93 -3.26 119.26 119.85 2c3t h ALA 44 Ca 0.01 -0.19 -0.27 0.00 0.00 0.00 0.00 54.91 54.46 2c3t h ALA 44 Cb 0.96 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 2c3t h ALA 44 CO 0.08 0.26 -2.24 0.34 0.00 0.00 0.00 179.25 177.69 2c3t n PHE 45 N -3.46 0.00 0.29 0.00 7.35 -1.15 -4.33 117.46 116.17 2c3t n PHE 45 Ca -0.00 0.00 0.17 0.00 -0.76 0.00 0.00 57.45 56.86 2c3t n PHE 45 Cb 0.39 -0.85 0.90 0.00 0.35 0.00 0.00 39.48 40.27 2c3t n PHE 45 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2c3t h ALA 46 N 1.17 1.17 -0.07 3.13 0.00 -1.38 -0.67 119.26 122.62 2c3t h ALA 46 Ca -0.41 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.31 2c3t h ALA 46 Cb 1.91 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.69 2c3t h ALA 46 CO 0.02 0.06 -0.64 1.96 0.00 0.00 0.00 179.25 180.65 2c3t h GLN 47 N 0.00 0.27 0.16 0.00 1.08 -1.75 -3.05 115.11 111.82 2c3t h GLN 47 Ca -0.00 -0.20 -0.01 0.00 -1.45 0.00 0.00 58.65 57.00 2c3t h GLN 47 Cb 0.22 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 2c3t h GLN 47 CO 0.01 0.82 -0.08 0.28 -0.95 0.00 0.00 178.83 178.91 2c3t h VAL 48 N 0.19 0.00 -3.56 -0.54 2.07 -1.39 -3.44 116.25 109.58 2c3t h VAL 48 Ca -0.01 -0.69 -0.61 0.00 0.82 0.00 0.00 66.70 66.21 2c3t h VAL 48 Cb 1.17 0.00 -0.39 0.00 -1.52 0.00 0.00 31.29 30.55 2c3t h VAL 48 CO 0.10 0.00 -0.77 0.21 0.02 0.00 0.00 177.57 177.13 2c3t s ASN 49 N -4.89 3.98 0.55 0.57 2.47 -0.51 -5.00 114.94 112.11 2c3t s ASN 49 Ca -0.03 -1.37 0.36 0.00 0.42 0.00 0.00 52.86 52.24 2c3t s ASN 49 Cb 0.00 -1.18 1.96 0.00 -1.45 0.00 0.00 41.25 40.58 2c3t s ASN 49 CO 0.10 -0.28 2.10 -0.65 -3.72 0.00 0.00 177.10 174.64 2c3t h PRO 50 N 7.93 0.00 -0.00 0.43 0.11 -1.80 0.30 132.00 138.97 2c3t h PRO 50 Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 2c3t h PRO 50 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2c3t h PRO 50 CO 0.43 0.00 -0.18 1.28 -0.21 0.00 0.00 178.00 179.33 2c3t n LEU 51 N -2.78 0.35 -3.58 2.35 4.77 -1.26 -4.97 117.00 111.88 2c3t n LEU 51 Ca -0.02 0.14 -0.22 0.00 -0.03 0.00 0.00 56.01 55.88 2c3t n LEU 51 Cb 0.08 -0.29 0.05 0.00 -2.33 0.00 0.00 43.42 40.93 2c3t n LEU 51 CO 0.16 0.07 -0.03 0.29 -1.33 0.00 0.00 177.39 176.55 2c3t n LYS 52 N -1.24 -3.66 -4.04 3.23 5.02 0.09 -5.02 118.16 112.54 2c3t n LYS 52 Ca 0.10 0.66 -0.07 0.00 -2.02 0.00 0.00 58.31 56.97 2c3t n LYS 52 Cb 0.31 -5.14 -0.09 0.00 -0.02 0.00 0.00 35.03 30.09 2c3t n LYS 52 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2c3t s LYS 53 N -5.59 0.66 0.13 1.97 1.02 -1.26 -4.79 119.74 111.88 2c3t s LYS 53 Ca 0.20 -1.17 0.11 0.00 0.02 0.00 0.00 55.97 55.13 2c3t s LYS 53 Cb -0.05 0.24 -0.04 0.00 -0.52 0.00 0.00 37.83 37.46 2c3t s LYS 53 CO 0.80 -0.14 -0.26 0.14 -0.92 0.00 0.00 175.35 174.97 2c3t s VAL 54 N -3.91 2.21 0.57 3.17 -7.23 -1.26 -4.42 120.40 109.53 2c3t s VAL 54 Ca 0.07 -1.74 -0.15 0.00 -1.81 0.00 0.00 61.98 58.34 2c3t s VAL 54 Cb 0.07 -1.96 -0.05 0.00 0.56 0.00 0.00 36.38 35.01 2c3t s VAL 54 CO -0.10 0.07 1.03 -2.16 -0.31 0.00 0.00 175.10 173.63 2c3t s PRO 55 N -2.06 3.53 -0.01 4.82 0.04 -1.26 -4.85 135.00 135.20 2c3t s PRO 55 Ca 0.13 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.24 2c3t s PRO 55 Cb -0.10 -2.07 0.02 0.00 0.04 0.00 0.00 34.50 32.39 2c3t s PRO 55 CO 0.06 -0.63 0.02 0.00 0.04 0.00 0.00 177.00 176.49 2c3t s ALA 56 N -2.61 0.07 -0.02 8.56 0.00 -0.95 -4.29 121.76 122.51 2c3t s ALA 56 Ca 0.61 0.20 0.04 0.00 0.00 0.00 0.00 51.96 52.81 2c3t s ALA 56 Cb -0.13 -0.17 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 2c3t s ALA 56 CO 0.37 -0.07 -0.14 -1.17 0.00 0.00 0.00 175.76 174.75 2c3t s LEU 57 N 0.71 2.75 -0.07 0.00 0.20 -0.00 -0.54 118.68 121.72 2c3t s LEU 57 Ca -0.06 -0.24 -0.05 0.00 0.69 0.00 0.00 54.13 54.47 2c3t s LEU 57 Cb -0.09 -1.57 0.03 0.00 -0.43 0.00 0.00 46.19 44.13 2c3t s LEU 57 CO -0.02 0.32 0.17 -0.75 -0.29 0.00 0.00 176.35 175.78 2c3t s LYS 58 N -0.97 0.16 -0.38 1.98 2.20 -0.58 -1.07 119.74 121.07 2c3t s LYS 58 Ca 0.13 0.32 0.03 0.00 -0.36 0.00 0.00 55.97 56.10 2c3t s LYS 58 Cb -0.11 -0.03 0.16 0.00 -1.51 0.00 0.00 37.83 36.34 2c3t s LYS 58 CO 0.02 -0.09 0.39 0.34 -0.36 0.00 0.00 175.35 175.66 2c3t s ASP 59 N 0.63 1.02 1.24 1.43 -1.08 0.15 -0.59 116.67 119.48 2c3t s ASP 59 Ca -0.04 -1.72 0.00 0.00 -0.52 0.00 0.00 52.55 50.26 2c3t s ASP 59 Cb -0.06 0.56 0.00 0.00 -1.46 0.00 0.00 42.92 41.96 2c3t s ASP 59 CO -0.03 -0.24 0.00 0.61 0.52 0.00 0.00 175.17 176.03 2c3t n GLY 60 N 4.04 2.24 0.72 2.66 0.00 -1.26 -2.17 105.19 111.42 2c3t n GLY 60 Ca 0.13 -0.39 0.09 0.00 0.00 0.00 0.00 46.02 45.85 2c3t n GLY 60 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2c3t n ASP 61 N 8.24 2.13 -4.54 1.61 8.00 -1.26 -4.82 116.55 125.92 2c3t n ASP 61 Ca 0.00 -1.88 -0.36 0.00 0.71 0.00 0.00 54.79 53.26 2c3t n ASP 61 Cb 0.00 -0.20 -0.11 0.00 -0.02 0.00 0.00 41.12 40.78 2c3t n ASP 61 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2c3t s PHE 62 N -1.59 3.17 -0.00 1.24 5.36 -0.92 -5.08 117.98 120.15 2c3t s PHE 62 Ca 0.31 -0.11 0.07 0.00 -0.96 0.00 0.00 56.93 56.24 2c3t s PHE 62 Cb 0.17 -2.25 -0.02 0.00 -0.34 0.00 0.00 43.02 40.58 2c3t s PHE 62 CO 0.23 -0.16 -0.22 0.99 -1.46 0.00 0.00 175.22 174.61 2c3t s THR 63 N 1.35 1.72 -0.08 0.12 2.01 -1.26 -0.67 115.64 118.83 2c3t s THR 63 Ca 0.06 -1.01 -0.06 0.00 0.31 0.00 0.00 61.69 60.99 2c3t s THR 63 Cb -0.15 -1.45 0.03 0.00 0.01 0.00 0.00 72.50 70.95 2c3t s THR 63 CO 0.05 0.42 0.20 -0.22 -0.69 0.00 0.00 174.62 174.38 2c3t s LEU 64 N -0.69 0.99 0.00 4.42 2.96 -0.23 -4.99 118.68 121.14 2c3t s LEU 64 Ca 0.08 0.41 0.02 0.00 -0.22 0.00 0.00 54.13 54.42 2c3t s LEU 64 Cb -0.08 0.64 0.02 0.00 0.50 0.00 0.00 46.19 47.27 2c3t s LEU 64 CO -0.00 -0.10 0.17 0.35 -1.32 0.00 0.00 176.35 175.45 2c3t n THR 65 N 3.43 0.00 -1.90 3.68 -2.24 -1.26 -0.82 114.28 115.16 2c3t n THR 65 Ca -0.17 -1.50 0.00 0.00 -2.27 0.00 0.00 64.05 60.11 2c3t n THR 65 Cb 0.56 -0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 2c3t n THR 65 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2c3t n GLU 66 N -1.16 -3.53 0.09 -0.78 -0.58 -1.26 -4.32 120.64 109.09 2c3t n GLU 66 Ca -0.06 2.72 0.09 0.00 -0.42 0.00 0.00 57.16 59.49 2c3t n GLU 66 Cb 0.42 -3.35 0.56 0.00 -0.57 0.00 0.00 31.44 28.50 2c3t n GLU 66 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2c3t h SER 67 N 2.89 0.20 -0.41 1.62 4.64 -1.90 -0.32 113.55 120.27 2c3t h SER 67 Ca 0.00 -0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 2c3t h SER 67 Cb 0.00 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.02 2c3t h SER 67 CO 0.00 0.14 0.08 0.58 -0.87 0.00 0.00 176.83 176.76 2c3t h VAL 68 N 0.23 1.22 -0.01 0.95 2.07 -1.96 0.27 116.25 119.03 2c3t h VAL 68 Ca 0.12 -0.83 -0.25 0.00 0.82 0.00 0.00 66.70 66.57 2c3t h VAL 68 Cb 0.20 0.76 0.02 0.00 -1.52 0.00 0.00 31.29 30.75 2c3t h VAL 68 CO -0.02 0.30 -0.95 0.00 0.02 0.00 0.00 177.57 176.91 2c3t h ALA 69 N 1.37 0.13 -0.42 1.67 0.00 -1.39 -2.54 119.26 118.08 2c3t h ALA 69 Ca 0.16 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 2c3t h ALA 69 Cb 0.32 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2c3t h ALA 69 CO 0.00 0.62 0.20 0.82 0.00 0.00 0.00 179.25 180.90 2c3t h ILE 70 N 0.31 1.17 0.13 0.00 2.04 -0.80 -1.14 117.51 119.23 2c3t h ILE 70 Ca -0.12 -0.49 -0.01 0.00 1.00 0.00 0.00 64.86 65.25 2c3t h ILE 70 Cb 1.62 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 38.43 2c3t h ILE 70 CO 0.19 0.19 -0.06 -0.07 0.00 0.00 0.00 178.15 178.39 2c3t h LEU 71 N 0.53 -0.15 -1.30 1.44 3.38 -0.49 -0.70 115.31 118.02 2c3t h LEU 71 Ca 0.14 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.07 2c3t h LEU 71 Cb 0.11 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 2c3t h LEU 71 CO -0.02 -0.04 0.47 -0.07 0.09 0.00 0.00 178.44 178.87 2c3t h LEU 72 N -0.25 0.82 -0.06 1.67 3.38 -1.42 -0.06 115.31 119.39 2c3t h LEU 72 Ca -0.02 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2c3t h LEU 72 Cb 0.20 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2c3t h LEU 72 CO 0.03 0.60 0.01 0.22 0.09 0.00 0.00 178.44 179.39 2c3t h TYR 73 N 0.97 0.11 -0.78 1.13 5.03 -0.97 -2.24 116.97 120.22 2c3t h TYR 73 Ca 0.26 -0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.54 2c3t h TYR 73 Cb -0.11 -0.03 -0.04 0.00 1.55 0.00 0.00 36.73 38.10 2c3t h TYR 73 CO 0.00 0.32 0.43 -0.07 -1.32 0.00 0.00 178.16 177.53 2c3t h LEU 74 N -0.13 0.97 -0.38 2.82 3.38 -0.67 -0.11 115.31 121.19 2c3t h LEU 74 Ca 0.02 -0.09 0.07 0.00 0.09 0.00 0.00 57.88 57.97 2c3t h LEU 74 Cb 0.27 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.71 2c3t h LEU 74 CO 0.00 0.78 -0.01 0.74 0.09 0.00 0.00 178.44 180.04 2c3t h THR 75 N 1.07 0.70 -0.00 0.22 2.02 -0.90 -0.72 112.91 115.30 2c3t h THR 75 Ca 0.27 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.42 2c3t h THR 75 Cb 0.02 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 2c3t h THR 75 CO -0.05 0.02 -0.02 0.03 0.37 0.00 0.00 175.52 175.87 2c3t h ARG 76 N 0.09 0.02 -0.67 6.66 3.08 -1.23 -2.87 114.38 119.46 2c3t h ARG 76 Ca 0.19 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.16 2c3t h ARG 76 Cb 0.26 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 2c3t h ARG 76 CO -0.32 0.77 0.21 -0.22 -1.07 0.00 0.00 179.97 179.34 2c3t h LYS 77 N -0.73 1.05 -0.65 0.04 3.64 -0.99 -3.12 116.57 115.81 2c3t h LYS 77 Ca -0.00 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 2c3t h LYS 77 Cb 0.78 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 2c3t h LYS 77 CO 0.00 0.91 0.00 0.66 -2.27 0.00 0.00 179.45 178.76 2c3t n TYR 78 N -4.33 1.27 -3.97 1.91 4.02 -0.28 -4.97 117.16 110.81 2c3t n TYR 78 Ca 0.05 -0.52 -0.39 0.00 -0.01 0.00 0.00 57.90 57.03 2c3t n TYR 78 Cb 0.22 -0.19 0.01 0.00 -0.02 0.00 0.00 39.34 39.37 2c3t n TYR 78 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 2c3t n LYS 79 N 1.07 -0.66 -1.79 -0.72 5.02 -1.13 -4.95 118.16 115.01 2c3t n LYS 79 Ca 0.23 0.27 -0.30 0.00 -2.02 0.00 0.00 58.31 56.49 2c3t n LYS 79 Cb 0.77 -2.25 0.07 0.00 -0.02 0.00 0.00 35.03 33.60 2c3t n LYS 79 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2c3t s VAL 80 N -3.37 3.17 0.34 -0.18 -7.23 -1.10 -4.97 120.40 107.06 2c3t s VAL 80 Ca 0.32 0.38 -0.25 0.00 -1.81 0.00 0.00 61.98 60.61 2c3t s VAL 80 Cb -0.18 -3.30 -0.14 0.00 0.56 0.00 0.00 36.38 33.32 2c3t s VAL 80 CO 0.92 -0.49 0.64 -2.65 -0.31 0.00 0.00 175.10 173.20 2c3t n PRO 81 N -3.18 0.62 0.28 4.82 -0.02 -1.26 -4.86 135.00 131.40 2c3t n PRO 81 Ca 0.07 0.22 0.15 0.00 -2.02 0.00 0.00 63.50 61.92 2c3t n PRO 81 Cb 0.57 -1.46 0.84 0.00 -0.02 0.00 0.00 33.50 33.44 2c3t n PRO 81 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2c3t h ASP 82 N 1.12 0.00 0.13 2.55 3.32 -1.93 -2.90 116.42 118.71 2c3t h ASP 82 Ca -0.37 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.66 2c3t h ASP 82 Cb 1.40 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.94 2c3t h ASP 82 CO 0.55 0.06 -0.09 0.10 -1.72 0.00 0.00 179.24 178.14 2c3t h TYR 83 N 0.00 0.00 -0.96 4.55 -0.00 -1.89 0.17 116.97 118.84 2c3t h TYR 83 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 58.73 2c3t h TYR 83 Cb 0.19 0.00 -0.05 0.00 0.00 0.00 0.00 36.73 36.88 2c3t h TYR 83 CO 0.00 0.09 0.59 -1.49 -0.00 0.00 0.00 178.16 177.35 2c3t h TRP 84 N 0.00 1.25 -1.62 0.10 4.06 -1.69 -3.37 115.95 114.67 2c3t h TRP 84 Ca -0.00 0.00 -0.33 0.00 2.06 0.00 0.00 58.89 60.62 2c3t h TRP 84 Cb 0.18 -0.41 -0.26 0.00 -1.00 0.00 0.00 29.16 27.67 2c3t h TRP 84 CO 0.00 0.82 -0.69 -0.47 -3.56 0.00 0.00 178.44 174.54 2c3t s TYR 85 N -5.99 -0.48 0.72 0.49 5.04 -0.79 -1.90 117.35 114.44 2c3t s TYR 85 Ca -0.13 -1.18 -0.16 0.00 -2.44 0.00 0.00 57.07 53.16 2c3t s TYR 85 Cb 0.18 -0.22 -0.05 0.00 0.35 0.00 0.00 41.96 42.21 2c3t s TYR 85 CO 0.82 -1.07 0.41 -2.30 -1.34 0.00 0.00 175.55 172.07 2c3t n PRO 86 N 3.19 0.25 -0.04 4.97 -0.02 0.52 -4.85 135.00 139.02 2c3t n PRO 86 Ca 0.21 0.12 -0.13 0.00 -2.02 0.00 0.00 63.50 61.68 2c3t n PRO 86 Cb 0.52 -1.72 -0.01 0.00 -0.02 0.00 0.00 33.50 32.27 2c3t n PRO 86 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2c3t h GLN 87 N -0.39 0.74 -6.21 -0.52 4.20 -1.98 -3.39 115.11 107.56 2c3t h GLN 87 Ca -0.45 -0.48 -0.71 0.00 0.06 0.00 0.00 58.65 57.07 2c3t h GLN 87 Cb 1.35 0.06 0.03 0.00 0.30 0.00 0.00 27.48 29.23 2c3t h GLN 87 CO 0.41 1.11 0.75 -3.47 -0.67 0.00 0.00 178.83 176.97 2c3t n ASP 88 N -3.98 2.21 -0.14 1.46 2.03 -1.26 -4.87 116.55 112.00 2c3t n ASP 88 Ca -0.04 1.08 -0.05 0.00 0.52 0.00 0.00 54.79 56.30 2c3t n ASP 88 Cb 0.63 -1.18 0.04 0.00 -0.72 0.00 0.00 41.12 39.89 2c3t n ASP 88 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2c3t h LEU 89 N 6.37 0.27 -0.68 -2.67 3.38 -1.99 0.26 115.31 120.26 2c3t h LEU 89 Ca -0.47 0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.39 2c3t h LEU 89 Cb 1.32 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 2c3t h LEU 89 CO 0.89 0.20 -0.52 1.56 0.09 0.00 0.00 178.44 180.66 2c3t h GLN 90 N 0.41 0.37 -0.22 1.13 4.20 -1.97 0.15 115.11 119.19 2c3t h GLN 90 Ca 0.20 -0.22 -0.15 0.00 0.06 0.00 0.00 58.65 58.53 2c3t h GLN 90 Cb 0.13 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 2c3t h GLN 90 CO -0.16 0.81 -0.48 0.00 -0.67 0.00 0.00 178.83 178.33 2c3t h ALA 91 N 1.15 0.76 -0.14 3.87 0.00 -1.86 -1.75 119.26 121.29 2c3t h ALA 91 Ca 0.01 -0.48 -0.19 0.00 0.00 0.00 0.00 54.91 54.25 2c3t h ALA 91 Cb 1.01 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 2c3t h ALA 91 CO 0.09 0.67 -0.68 -0.09 0.00 0.00 0.00 179.25 179.23 2c3t h ARG 92 N 0.46 0.57 -0.44 0.00 2.43 -0.77 -3.13 114.38 113.50 2c3t h ARG 92 Ca 0.02 -0.43 -0.03 0.00 -0.81 0.00 0.00 59.98 58.73 2c3t h ARG 92 Cb 1.00 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.61 2c3t h ARG 92 CO 0.09 1.05 0.14 0.00 -1.51 0.00 0.00 179.97 179.75 2c3t h ALA 93 N 0.83 1.42 -0.28 2.80 0.00 -0.43 -2.25 119.26 121.34 2c3t h ALA 93 Ca -0.02 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 2c3t h ALA 93 Cb 1.27 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2c3t h ALA 93 CO 0.13 0.43 -0.14 0.00 0.00 0.00 0.00 179.25 179.67 2c3t h ARG 94 N 0.64 0.48 -0.14 0.00 3.08 -1.27 0.15 114.38 117.32 2c3t h ARG 94 Ca 0.15 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 2c3t h ARG 94 Cb 0.19 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 2c3t h ARG 94 CO -0.01 0.62 -0.10 0.28 -1.07 0.00 0.00 179.97 179.69 2c3t h VAL 95 N 0.45 1.33 -0.76 2.04 2.07 -1.41 -2.57 116.25 117.40 2c3t h VAL 95 Ca 0.08 -1.20 -0.02 0.00 0.82 0.00 0.00 66.70 66.38 2c3t h VAL 95 Cb 0.51 1.81 -0.04 0.00 -1.52 0.00 0.00 31.29 32.05 2c3t h VAL 95 CO 0.03 0.35 0.38 0.44 0.02 0.00 0.00 177.57 178.79 2c3t h ASP 96 N -0.03 0.97 -0.23 0.57 3.32 -1.23 -1.18 116.42 118.61 2c3t h ASP 96 Ca 0.03 -0.10 0.02 0.00 0.02 0.00 0.00 57.03 56.99 2c3t h ASP 96 Cb 0.60 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 2c3t h ASP 96 CO 0.03 0.81 0.11 -0.08 -1.72 0.00 0.00 179.24 178.39 2c3t h GLU 97 N 1.07 0.22 -0.07 3.56 4.81 -0.65 -0.28 114.58 123.24 2c3t h GLU 97 Ca 0.26 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.47 2c3t h GLU 97 Cb 0.09 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 2c3t h GLU 97 CO -0.04 0.15 0.01 -0.92 -0.73 0.00 0.00 179.01 177.48 2c3t h TYR 98 N 0.23 0.13 -0.43 0.92 3.20 -1.14 -1.86 116.97 118.03 2c3t h TYR 98 Ca 0.09 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.00 2c3t h TYR 98 Cb 0.03 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 2c3t h TYR 98 CO -0.10 0.36 0.29 -0.07 -1.64 0.00 0.00 178.16 177.01 2c3t h LEU 99 N -0.13 0.30 0.08 2.82 3.38 -0.98 0.58 115.31 121.36 2c3t h LEU 99 Ca 0.02 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.72 2c3t h LEU 99 Cb 0.30 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2c3t h LEU 99 CO 0.00 0.20 -1.20 0.00 0.09 0.00 0.00 178.44 177.53 2c3t h ALA 100 N 1.77 0.13 -0.14 1.53 0.00 -1.03 -3.36 119.26 118.15 2c3t h ALA 100 Ca 0.19 -0.86 -0.05 0.00 0.00 0.00 0.00 54.91 54.19 2c3t h ALA 100 Cb 0.32 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2c3t h ALA 100 CO -0.04 0.95 -0.12 2.35 0.00 0.00 0.00 179.25 182.39 2c3t h TRP 101 N 0.10 0.40 -0.02 0.00 7.01 -0.27 -3.30 115.95 119.87 2c3t h TRP 101 Ca -0.13 -0.11 0.01 0.00 2.11 0.00 0.00 58.89 60.77 2c3t h TRP 101 Cb 1.91 -0.09 -0.00 0.00 -2.10 0.00 0.00 29.16 28.89 2c3t h TRP 101 CO 0.06 0.71 0.02 -0.56 -2.79 0.00 0.00 178.44 175.88 2c3t h GLN 102 N -0.03 0.00 -0.37 2.65 -0.00 -1.10 -3.30 115.11 112.96 2c3t h GLN 102 Ca 0.03 0.00 0.08 0.00 -0.00 0.00 0.00 58.65 58.76 2c3t h GLN 102 Cb 0.63 0.00 -0.08 0.00 -0.00 0.00 0.00 27.48 28.02 2c3t h GLN 102 CO 0.03 0.00 -0.23 0.45 -0.00 0.00 0.00 178.83 179.08 2c3t h HIS 103 N 0.00 -0.59 -0.01 0.06 3.86 -1.73 -1.44 115.15 115.30 2c3t h HIS 103 Ca 0.01 0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 2c3t h HIS 103 Cb 0.05 0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.84 2c3t h HIS 103 CO 0.00 -0.30 -0.41 0.25 0.86 0.00 0.00 177.93 178.33 2c3t n THR 104 N -5.39 0.00 0.00 2.45 -2.24 -1.24 -3.97 114.28 103.89 2c3t n THR 104 Ca 0.02 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 2c3t n THR 104 Cb 0.30 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 2c3t n THR 104 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2c3t n THR 105 N -0.17 0.00 -0.26 4.28 -2.24 -1.12 -4.59 114.28 110.18 2c3t n THR 105 Ca 0.10 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.90 2c3t n THR 105 Cb 0.44 -0.16 0.24 0.00 -2.10 0.00 0.00 70.33 68.74 2c3t n THR 105 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2c3t h LEU 106 N 0.00 0.89 -0.29 3.22 5.85 -1.82 0.38 115.31 123.54 2c3t h LEU 106 Ca 0.00 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 2c3t h LEU 106 Cb 0.00 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 2c3t h LEU 106 CO 0.00 0.62 -0.01 -0.09 -0.34 0.00 0.00 178.44 178.62 2c3t h ARG 107 N 1.04 0.52 -0.58 1.25 2.43 -1.50 -2.09 114.38 115.44 2c3t h ARG 107 Ca 0.33 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 2c3t h ARG 107 Cb 0.02 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 2c3t h ARG 107 CO -0.09 0.67 0.37 -0.09 -1.51 0.00 0.00 179.97 179.32 2c3t h ARG 108 N 0.30 0.78 0.64 0.20 2.43 -1.51 -2.34 114.38 114.89 2c3t h ARG 108 Ca 0.08 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 2c3t h ARG 108 Cb 0.45 -0.17 0.01 0.00 -0.42 0.00 0.00 29.97 29.83 2c3t h ARG 108 CO 0.02 0.54 -0.31 0.77 -1.51 0.00 0.00 179.97 179.48 2c3t h SER 109 N 0.79 -0.73 -0.86 -3.80 0.02 -0.92 -2.20 113.55 105.85 2c3t h SER 109 Ca 0.21 -0.01 0.07 0.00 -0.84 0.00 0.00 61.79 61.23 2c3t h SER 109 Cb -0.06 0.19 -0.07 0.00 0.14 0.00 0.00 62.40 62.61 2c3t h SER 109 CO -0.04 -0.45 0.53 0.00 -1.14 0.00 0.00 176.83 175.72 2c3t h LEU 111 N 0.94 0.79 -1.03 0.00 5.85 -1.43 -2.31 115.31 118.11 2c3t h LEU 111 Ca 0.39 -0.30 -0.09 0.00 0.84 0.00 0.00 57.88 58.72 2c3t h LEU 111 Cb 0.24 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 2c3t h LEU 111 CO -0.20 0.90 -0.26 0.03 -0.34 0.00 0.00 178.44 178.58 2c3t h ARG 112 N 0.66 0.38 -0.45 1.25 3.08 -0.97 -1.91 114.38 116.43 2c3t h ARG 112 Ca 0.13 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 2c3t h ARG 112 Cb 0.49 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 2c3t h ARG 112 CO 0.02 0.62 0.10 0.00 -1.07 0.00 0.00 179.97 179.64 2c3t h ALA 113 N 1.39 0.59 -0.36 0.04 0.00 -0.80 0.26 119.26 120.37 2c3t h ALA 113 Ca 0.05 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 2c3t h ALA 113 Cb 0.64 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2c3t h ALA 113 CO 0.05 0.28 0.11 1.25 0.00 0.00 0.00 179.25 180.94 2c3t h LEU 114 N 0.59 0.53 0.02 0.00 5.85 -1.10 -2.17 115.31 119.03 2c3t h LEU 114 Ca 0.14 -0.20 -0.14 0.00 0.84 0.00 0.00 57.88 58.52 2c3t h LEU 114 Cb 0.34 -0.14 0.01 0.00 0.37 0.00 0.00 40.66 41.24 2c3t h LEU 114 CO 0.00 0.59 -0.55 -0.50 -0.34 0.00 0.00 178.44 177.64 2c3t h TRP 115 N 0.44 0.51 0.00 1.25 4.06 -1.29 0.66 115.95 121.58 2c3t h TRP 115 Ca 0.12 -0.30 -0.03 0.00 2.06 0.00 0.00 58.89 60.74 2c3t h TRP 115 Cb 0.25 -0.05 -0.00 0.00 -1.00 0.00 0.00 29.16 28.36 2c3t h TRP 115 CO 0.01 1.13 -0.13 0.45 -3.56 0.00 0.00 178.44 176.34 2c3t h HIS 116 N -0.25 0.00 0.00 0.49 3.86 -0.57 -1.72 115.15 116.96 2c3t h HIS 116 Ca -0.08 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 58.84 2c3t h HIS 116 Cb 1.30 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.72 2c3t h HIS 116 CO 0.16 0.13 -2.22 1.17 0.86 0.00 0.00 177.93 178.04 2c3t n LYS 117 N -3.22 0.95 0.00 2.45 4.81 -0.82 -4.82 118.16 117.51 2c3t n LYS 117 Ca 0.01 -0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 2c3t n LYS 117 Cb 0.43 -1.47 0.00 0.00 0.02 0.00 0.00 35.03 34.01 2c3t n LYS 117 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2c3t n VAL 118 N -2.62 0.00 0.10 3.15 0.31 -0.66 -4.85 118.33 113.76 2c3t n VAL 118 Ca -0.27 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 63.94 2c3t n VAL 118 Cb 1.03 -0.84 -0.06 0.00 -0.91 0.00 0.00 33.84 33.05 2c3t n VAL 118 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 2c3t h MET 119 N 0.00 -0.24 0.98 5.55 2.86 -0.93 -0.50 114.93 122.66 2c3t h MET 119 Ca 0.00 0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.61 2c3t h MET 119 Cb 0.37 0.05 0.01 0.00 0.06 0.00 0.00 31.60 32.10 2c3t h MET 119 CO 0.00 -0.16 -0.47 0.74 1.06 0.00 0.00 176.91 178.08 2c3t h PHE 120 N -0.25 -1.22 0.26 -0.22 -1.00 -1.58 0.55 116.94 113.49 2c3t h PHE 120 Ca 0.00 -0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.74 2c3t h PHE 120 Cb 0.23 0.40 0.00 0.00 3.61 0.00 0.00 35.95 40.20 2c3t h PHE 120 CO -0.11 -0.76 -0.13 -1.00 -1.61 0.00 0.00 178.31 174.70 2c3t h PRO 121 N -1.32 -0.34 0.14 1.51 0.13 -1.53 0.68 132.00 131.26 2c3t h PRO 121 Ca -0.13 0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.01 2c3t h PRO 121 Cb 1.01 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2c3t h PRO 121 CO 0.22 -0.19 -0.07 0.28 -0.23 0.00 0.00 178.00 178.01 2c3t h VAL 122 N -0.40 0.82 0.15 1.56 2.07 -1.22 -3.09 116.25 116.14 2c3t h VAL 122 Ca -0.04 -1.20 -0.01 0.00 0.82 0.00 0.00 66.70 66.27 2c3t h VAL 122 Cb 0.31 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 2c3t h VAL 122 CO 0.06 0.23 -0.07 0.15 0.02 0.00 0.00 177.57 177.95 2c3t h PHE 123 N -0.90 -0.19 0.00 1.57 3.57 -1.28 -3.38 116.94 116.34 2c3t h PHE 123 Ca -0.02 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2c3t h PHE 123 Cb 0.52 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.32 2c3t h PHE 123 CO 0.09 -0.12 0.00 -0.07 -2.23 0.00 0.00 178.31 175.99 2c3t h LEU 124 N -0.94 0.00 0.23 0.59 3.38 -0.45 -2.72 115.31 115.41 2c3t h LEU 124 Ca -0.02 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 2c3t h LEU 124 Cb 0.15 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 2c3t h LEU 124 CO 0.03 0.00 -0.09 0.61 0.09 0.00 0.00 178.44 179.08 2c3t n GLY 125 N 0.92 0.74 3.44 0.83 0.00 0.22 -4.90 105.19 106.45 2c3t n GLY 125 Ca 0.04 -0.48 -0.39 0.00 0.00 0.00 0.00 46.02 45.19 2c3t n GLY 125 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2c3t s GLU 126 N -1.99 3.25 0.41 1.61 0.41 -0.08 -4.90 118.70 117.41 2c3t s GLU 126 Ca 0.00 -0.79 -0.26 0.00 -0.41 0.00 0.00 54.97 53.51 2c3t s GLU 126 Cb 0.00 -3.65 -0.09 0.00 -1.78 0.00 0.00 34.13 28.61 2c3t s GLU 126 CO 0.00 -0.49 1.41 -2.14 -0.49 0.00 0.00 175.26 173.55 2c3t s PRO 127 N 1.62 3.90 -0.11 0.39 0.02 -1.26 -2.48 135.00 137.08 2c3t s PRO 127 Ca 0.04 2.39 -0.02 0.00 0.02 0.00 0.00 61.00 63.44 2c3t s PRO 127 Cb -0.18 -2.78 -0.03 0.00 0.02 0.00 0.00 34.50 31.53 2c3t s PRO 127 CO 0.07 -0.64 -0.03 0.08 -0.33 0.00 0.00 177.00 176.15 2c3t s VAL 128 N -1.19 3.97 0.11 3.83 1.01 -1.26 -4.96 120.40 121.90 2c3t s VAL 128 Ca 0.57 -0.36 -0.34 0.00 0.00 0.00 0.00 61.98 61.86 2c3t s VAL 128 Cb -0.43 -2.68 -0.13 0.00 0.00 0.00 0.00 36.38 33.13 2c3t s VAL 128 CO 0.56 0.56 1.65 -0.24 0.00 0.00 0.00 175.10 177.63 2c3t n SER 129 N 2.73 3.20 0.28 3.32 2.88 -1.26 -4.86 113.62 119.92 2c3t n SER 129 Ca -0.18 1.06 0.17 0.00 -1.33 0.00 0.00 58.87 58.59 2c3t n SER 129 Cb 0.53 -1.42 0.95 0.00 -0.75 0.00 0.00 64.21 63.52 2c3t n SER 129 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2c3t h PRO 130 N 6.70 0.00 -0.04 -1.46 0.11 -1.99 -0.68 132.00 134.65 2c3t h PRO 130 Ca -0.46 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.45 2c3t h PRO 130 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 2c3t h PRO 130 CO 0.90 0.00 -0.84 0.37 -0.21 0.00 0.00 178.00 178.22 2c3t h GLN 131 N 0.00 0.40 -0.03 1.05 4.15 -1.99 -2.29 115.11 116.40 2c3t h GLN 131 Ca 0.02 -0.38 -0.22 0.00 0.77 0.00 0.00 58.65 58.84 2c3t h GLN 131 Cb 0.17 0.10 0.01 0.00 0.21 0.00 0.00 27.48 27.96 2c3t h GLN 131 CO -0.00 1.04 -0.90 1.15 -1.93 0.00 0.00 178.83 178.18 2c3t h THR 132 N 0.25 1.36 -0.27 2.39 2.02 -1.54 -2.27 112.91 114.85 2c3t h THR 132 Ca -0.05 -2.30 -0.05 0.00 0.77 0.00 0.00 66.41 64.77 2c3t h THR 132 Cb 1.45 2.31 -0.01 0.00 -1.74 0.00 0.00 68.15 70.15 2c3t h THR 132 CO 0.14 0.70 -0.03 0.25 0.37 0.00 0.00 175.52 176.95 2c3t h LEU 133 N 0.30 0.49 -0.73 2.58 5.85 -1.27 -1.51 115.31 121.04 2c3t h LEU 133 Ca -0.08 -0.34 -0.06 0.00 0.84 0.00 0.00 57.88 58.25 2c3t h LEU 133 Cb 1.53 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.39 2c3t h LEU 133 CO 0.16 0.72 0.22 0.00 -0.34 0.00 0.00 178.44 179.20 2c3t h ALA 134 N 0.80 0.95 -0.60 1.25 0.00 -1.46 -1.71 119.26 118.49 2c3t h ALA 134 Ca 0.07 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 2c3t h ALA 134 Cb 0.48 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2c3t h ALA 134 CO 0.02 0.64 0.09 0.00 0.00 0.00 0.00 179.25 180.00 2c3t h ALA 135 N 1.11 1.03 -0.60 0.00 0.00 -1.34 -0.77 119.26 118.69 2c3t h ALA 135 Ca 0.23 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2c3t h ALA 135 Cb 0.31 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2c3t h ALA 135 CO -0.01 0.62 0.22 1.15 0.00 0.00 0.00 179.25 181.23 2c3t h THR 136 N 0.92 1.23 -0.02 0.00 2.02 -0.94 -1.41 112.91 114.71 2c3t h THR 136 Ca 0.19 -0.75 -0.17 0.00 0.77 0.00 0.00 66.41 66.44 2c3t h THR 136 Cb 0.40 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 2c3t h THR 136 CO 0.01 0.29 -0.77 -0.07 0.37 0.00 0.00 175.52 175.35 2c3t h LEU 137 N 0.84 0.23 -0.32 2.58 3.38 -1.11 -1.16 115.31 119.75 2c3t h LEU 137 Ca 0.20 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2c3t h LEU 137 Cb 0.23 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2c3t h LEU 137 CO -0.01 0.91 0.06 0.00 0.09 0.00 0.00 178.44 179.49 2c3t h ALA 138 N 1.08 0.42 -0.09 1.53 0.00 -1.00 -1.65 119.26 119.55 2c3t h ALA 138 Ca -0.03 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 2c3t h ALA 138 Cb 1.34 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2c3t h ALA 138 CO 0.12 0.10 -0.36 1.49 0.00 0.00 0.00 179.25 180.60 2c3t h GLU 139 N 0.35 0.18 -0.72 0.00 4.22 -1.22 -2.24 114.58 115.15 2c3t h GLU 139 Ca 0.10 -0.07 -0.04 0.00 0.08 0.00 0.00 59.36 59.43 2c3t h GLU 139 Cb 0.32 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 2c3t h GLU 139 CO 0.00 0.52 0.30 1.25 -2.18 0.00 0.00 179.01 178.91 2c3t h LEU 140 N 0.16 0.98 -0.71 1.64 5.85 -0.82 -1.61 115.31 120.80 2c3t h LEU 140 Ca 0.02 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 2c3t h LEU 140 Cb 0.71 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 2c3t h LEU 140 CO 0.05 0.87 0.34 0.44 -0.34 0.00 0.00 178.44 179.80 2c3t h ASP 141 N 1.02 0.94 -0.36 1.25 3.32 -0.75 -1.47 116.42 120.38 2c3t h ASP 141 Ca 0.24 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 2c3t h ASP 141 Cb 0.19 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 2c3t h ASP 141 CO -0.02 0.81 0.16 0.58 -1.72 0.00 0.00 179.24 179.05 2c3t h VAL 142 N 1.00 1.17 0.00 -1.35 2.07 -1.10 -1.09 116.25 116.96 2c3t h VAL 142 Ca 0.24 -0.51 -0.10 0.00 0.82 0.00 0.00 66.70 67.16 2c3t h VAL 142 Cb 0.12 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 2c3t h VAL 142 CO -0.03 0.19 -0.46 0.71 0.02 0.00 0.00 177.57 178.00 2c3t h THR 143 N 0.44 1.28 -0.49 2.57 1.35 -1.11 -1.44 112.91 115.51 2c3t h THR 143 Ca 0.12 -1.60 -0.12 0.00 -0.55 0.00 0.00 66.41 64.27 2c3t h THR 143 Cb 0.14 1.87 -0.01 0.00 -1.73 0.00 0.00 68.15 68.42 2c3t h THR 143 CO -0.01 0.45 -0.15 -0.07 -0.25 0.00 0.00 175.52 175.49 2c3t h LEU 144 N 0.00 0.98 -0.90 3.87 3.38 -1.03 -0.94 115.31 120.66 2c3t h LEU 144 Ca -0.00 -0.37 -0.06 0.00 0.09 0.00 0.00 57.88 57.53 2c3t h LEU 144 Cb 0.83 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 2c3t h LEU 144 CO 0.06 1.12 0.11 -0.61 0.09 0.00 0.00 178.44 179.21 2c3t h GLN 145 N 0.82 0.92 -0.38 1.13 5.75 -0.83 -2.55 115.11 119.96 2c3t h GLN 145 Ca 0.12 -0.21 -0.13 0.00 -0.15 0.00 0.00 58.65 58.27 2c3t h GLN 145 Cb 0.71 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 29.13 2c3t h GLN 145 CO 0.05 0.84 -0.30 -0.07 -2.65 0.00 0.00 178.83 176.71 2c3t h LEU 146 N 0.87 0.85 -0.67 -2.39 3.38 -1.06 -0.51 115.31 115.79 2c3t h LEU 146 Ca 0.18 -0.35 0.08 0.00 0.09 0.00 0.00 57.88 57.88 2c3t h LEU 146 Cb 0.37 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.82 2c3t h LEU 146 CO 0.01 1.09 0.35 0.25 0.09 0.00 0.00 178.44 180.22 2c3t h LEU 147 N 0.69 0.48 0.09 1.67 5.85 -0.79 0.21 115.31 123.51 2c3t h LEU 147 Ca 0.08 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 2c3t h LEU 147 Cb 0.85 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.84 2c3t h LEU 147 CO 0.07 0.29 -0.04 -0.33 -0.34 0.00 0.00 178.44 178.09 2c3t h GLU 148 N 0.62 -0.12 -0.30 1.25 5.08 -1.31 -1.50 114.58 118.29 2c3t h GLU 148 Ca 0.32 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.62 2c3t h GLU 148 Cb 0.28 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2c3t h GLU 148 CO -0.23 0.40 -0.06 -0.44 -1.00 0.00 0.00 179.01 177.68 2c3t h ASP 149 N -0.75 0.57 0.49 1.42 3.32 -0.94 0.32 116.42 120.86 2c3t h ASP 149 Ca -0.01 -0.35 -0.29 0.00 0.02 0.00 0.00 57.03 56.39 2c3t h ASP 149 Cb 0.57 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.93 2c3t h ASP 149 CO 0.02 0.79 -1.64 0.50 -1.72 0.00 0.00 179.24 177.19 2c3t h LYS 150 N 0.34 0.08 0.00 3.56 3.64 -0.77 -3.43 116.57 119.99 2c3t h LYS 150 Ca 0.08 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2c3t h LYS 150 Cb 0.53 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 2c3t h LYS 150 CO 0.03 0.75 0.00 1.19 -2.27 0.00 0.00 179.45 179.15 2c3t n PHE 151 N -3.21 0.00 -0.01 1.91 3.72 -1.10 -4.87 117.46 113.90 2c3t n PHE 151 Ca -0.17 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.14 2c3t n PHE 151 Cb 1.04 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.55 2c3t n PHE 151 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 2c3t h LEU 152 N 0.00 -0.52 0.00 4.37 5.85 -1.33 -3.44 115.31 120.24 2c3t h LEU 152 Ca 0.00 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2c3t h LEU 152 Cb 0.00 0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.28 2c3t h LEU 152 CO 0.00 -0.21 0.00 0.00 -0.34 0.00 0.00 178.44 177.89 2c3t n GLN 153 N -5.31 0.00 -0.94 1.25 6.02 0.11 -1.83 117.38 116.68 2c3t n GLN 153 Ca -0.02 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.86 2c3t n GLN 153 Cb 0.23 0.00 0.19 0.00 1.02 0.00 0.00 30.24 31.68 2c3t n GLN 153 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2c3t n ASN 154 N 3.47 2.83 -5.00 1.08 3.02 -1.26 -5.00 115.26 114.41 2c3t n ASN 154 Ca 0.00 -3.75 -0.18 0.00 -0.03 0.00 0.00 54.58 50.62 2c3t n ASN 154 Cb 0.00 -0.70 0.01 0.00 -0.61 0.00 0.00 39.78 38.48 2c3t n ASN 154 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2c3t s LYS 155 N -3.28 2.91 0.16 3.52 1.02 -0.76 -5.02 119.74 118.29 2c3t s LYS 155 Ca 0.48 -1.07 -0.03 0.00 0.02 0.00 0.00 55.97 55.37 2c3t s LYS 155 Cb 0.43 -2.74 0.00 0.00 -0.52 0.00 0.00 37.83 35.00 2c3t s LYS 155 CO 0.03 -0.21 1.39 0.00 -0.92 0.00 0.00 175.35 175.64 2c3t h ALA 156 N 0.65 0.51 -1.84 5.17 0.00 -1.86 -3.47 119.26 118.43 2c3t h ALA 156 Ca -0.42 -0.63 -0.52 0.00 0.00 0.00 0.00 54.91 53.34 2c3t h ALA 156 Cb 1.27 -0.05 -0.13 0.00 0.00 0.00 0.00 17.79 18.88 2c3t h ALA 156 CO 0.49 0.76 -0.54 -0.06 0.00 0.00 0.00 179.25 179.90 2c3t s PHE 157 N -3.57 1.79 0.49 0.00 0.08 -0.50 -4.80 117.98 111.48 2c3t s PHE 157 Ca -0.06 -1.23 0.19 0.00 0.12 0.00 0.00 56.93 55.94 2c3t s PHE 157 Cb 0.10 -1.13 1.27 0.00 -0.57 0.00 0.00 43.02 42.69 2c3t s PHE 157 CO 0.85 -0.28 2.09 -0.07 -0.10 0.00 0.00 175.22 177.72 2c3t h LEU 158 N 1.93 0.00 -1.62 -0.37 3.38 -1.86 -3.26 115.31 113.51 2c3t h LEU 158 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2c3t h LEU 158 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2c3t h LEU 158 CO 0.58 0.09 0.00 0.35 0.09 0.00 0.00 178.44 179.56 2c3t n THR 159 N -4.22 0.34 -2.89 0.22 -2.24 -1.26 -4.30 114.28 99.92 2c3t n THR 159 Ca -0.03 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 2c3t n THR 159 Cb 0.17 0.89 0.00 0.00 -2.10 0.00 0.00 70.33 69.29 2c3t n THR 159 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2c3t n GLY 160 N -0.17 -0.51 0.10 3.38 0.00 -1.23 -4.96 105.19 101.79 2c3t n GLY 160 Ca 0.00 -0.96 0.16 0.00 0.00 0.00 0.00 46.02 45.22 2c3t n GLY 160 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2c3t n PRO 161 N 0.00 1.12 -4.28 1.61 -0.04 -1.26 -1.40 135.00 130.74 2c3t n PRO 161 Ca 0.00 -0.20 -0.15 0.00 -0.04 0.00 0.00 63.50 63.11 2c3t n PRO 161 Cb 0.00 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.86 2c3t n PRO 161 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 2c3t s HIS 162 N -2.02 1.38 0.40 0.54 -3.43 -1.26 -4.74 115.29 106.16 2c3t s HIS 162 Ca 0.45 -0.87 -0.24 0.00 -0.80 0.00 0.00 55.06 53.60 2c3t s HIS 162 Cb 0.22 -0.76 -0.09 0.00 -1.43 0.00 0.00 32.58 30.52 2c3t s HIS 162 CO 0.37 -0.01 1.09 -1.50 -2.00 0.00 0.00 174.74 172.68 2c3t s ILE 163 N -3.42 3.52 0.28 -5.38 2.07 -1.26 -4.69 121.20 112.32 2c3t s ILE 163 Ca 0.23 1.20 0.05 0.00 -1.41 0.00 0.00 60.65 60.71 2c3t s ILE 163 Cb 0.04 -3.63 -0.02 0.00 0.13 0.00 0.00 42.46 38.98 2c3t s ILE 163 CO 0.04 0.04 0.26 -1.54 -1.91 0.00 0.00 174.94 171.84 2c3t n SER 164 N -0.04 -0.69 0.00 4.50 3.41 -1.26 -4.26 113.62 115.28 2c3t n SER 164 Ca 0.05 -2.76 0.09 0.00 -0.26 0.00 0.00 58.87 55.99 2c3t n SER 164 Cb 0.49 1.52 0.51 0.00 -0.26 0.00 0.00 64.21 66.46 2c3t n SER 164 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2c3t h LEU 165 N 0.00 0.33 -0.27 1.04 3.38 -1.65 -2.46 115.31 115.68 2c3t h LEU 165 Ca -0.20 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.79 2c3t h LEU 165 Cb 0.99 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 2c3t h LEU 165 CO 0.29 0.22 0.13 0.00 0.09 0.00 0.00 178.44 179.16 2c3t h ALA 166 N 1.76 0.32 -0.34 1.53 0.00 -1.86 -1.53 119.26 119.14 2c3t h ALA 166 Ca 0.19 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 2c3t h ALA 166 Cb 0.28 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2c3t h ALA 166 CO -0.05 -0.27 -0.10 -0.44 0.00 0.00 0.00 179.25 178.40 2c3t h ASP 167 N 0.27 0.55 -0.34 0.00 3.32 -1.84 -1.67 116.42 116.71 2c3t h ASP 167 Ca 0.11 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 2c3t h ASP 167 Cb 0.04 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 2c3t h ASP 167 CO -0.09 0.69 0.11 0.25 -1.72 0.00 0.00 179.24 178.49 2c3t h LEU 168 N 0.53 0.49 -0.54 1.55 5.85 -1.32 -2.03 115.31 119.84 2c3t h LEU 168 Ca 0.10 -0.19 -0.15 0.00 0.84 0.00 0.00 57.88 58.47 2c3t h LEU 168 Cb 0.49 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 2c3t h LEU 168 CO 0.03 0.55 -0.49 0.58 -0.34 0.00 0.00 178.44 178.77 2c3t h VAL 169 N 0.39 1.31 -0.16 1.05 2.07 -1.02 -3.17 116.25 116.72 2c3t h VAL 169 Ca 0.11 -1.70 -0.05 0.00 0.82 0.00 0.00 66.70 65.87 2c3t h VAL 169 Cb 0.23 1.66 -0.00 0.00 -1.52 0.00 0.00 31.29 31.66 2c3t h VAL 169 CO -0.01 0.54 -0.10 0.00 0.02 0.00 0.00 177.57 178.02 2c3t h ALA 170 N 0.98 0.23 -0.06 1.67 0.00 -1.24 -2.74 119.26 118.09 2c3t h ALA 170 Ca 0.02 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 2c3t h ALA 170 Cb 1.03 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2c3t h ALA 170 CO 0.10 0.06 -0.46 0.97 0.00 0.00 0.00 179.25 179.92 2c3t h ILE 171 N 0.01 1.33 0.00 0.00 2.10 -1.46 -0.03 117.51 119.46 2c3t h ILE 171 Ca 0.03 -1.62 -0.03 0.00 1.08 0.00 0.00 64.86 64.33 2c3t h ILE 171 Cb 0.60 1.80 -0.00 0.00 -1.09 0.00 0.00 36.82 38.12 2c3t h ILE 171 CO 0.03 0.47 -0.14 0.71 -1.08 0.00 0.00 178.15 178.14 2c3t h THR 172 N 0.11 0.31 0.01 2.19 1.35 -1.58 -1.72 112.91 113.59 2c3t h THR 172 Ca 0.01 -1.01 -0.08 0.00 -0.55 0.00 0.00 66.41 64.77 2c3t h THR 172 Cb 0.86 1.79 0.01 0.00 -1.73 0.00 0.00 68.15 69.08 2c3t h THR 172 CO 0.07 0.14 -0.33 -0.33 -0.25 0.00 0.00 175.52 174.81 2c3t h GLU 173 N 0.00 0.20 0.00 4.72 5.08 -1.02 -3.27 114.58 120.29 2c3t h GLU 173 Ca -0.00 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2c3t h GLU 173 Cb 0.78 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2c3t h GLU 173 CO 0.02 0.98 0.00 -0.07 -1.00 0.00 0.00 179.01 178.94 2c3t h LEU 174 N -0.49 0.00 -0.40 1.33 3.38 -0.80 -1.97 115.31 116.36 2c3t h LEU 174 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2c3t h LEU 174 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2c3t h LEU 174 CO 0.06 0.00 0.00 0.24 0.09 0.00 0.00 178.44 178.83 2c3t h MET 175 N 0.00 0.00 0.70 1.13 2.86 -1.36 -3.07 114.93 115.19 2c3t h MET 175 Ca 0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 2c3t h MET 175 Cb 0.27 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.94 2c3t h MET 175 CO 0.00 0.00 -0.34 0.45 1.06 0.00 0.00 176.91 178.08 2c3t h HIS 176 N 0.00 -0.89 -0.25 -0.22 3.86 -1.47 -0.96 115.15 115.21 2c3t h HIS 176 Ca 0.00 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 2c3t h HIS 176 Cb 0.73 0.30 -0.01 0.00 1.06 0.00 0.00 27.41 29.48 2c3t h HIS 176 CO 0.00 -0.55 0.13 -1.00 0.86 0.00 0.00 177.93 177.37 2c3t h PRO 177 N -0.95 0.34 -0.90 2.45 0.13 -1.72 -0.70 132.00 130.64 2c3t h PRO 177 Ca -0.10 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 2c3t h PRO 177 Cb 0.73 -0.07 -0.04 0.00 0.13 0.00 0.00 31.00 31.74 2c3t h PRO 177 CO 0.16 0.26 0.58 0.28 -0.23 0.00 0.00 178.00 179.04 2c3t h VAL 178 N 0.35 1.24 0.00 1.56 2.07 -1.50 -0.60 116.25 119.36 2c3t h VAL 178 Ca 0.09 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.14 2c3t h VAL 178 Cb 0.02 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.73 2c3t h VAL 178 CO -0.01 0.24 0.00 1.23 0.02 0.00 0.00 177.57 179.04 2c3t h GLY 179 N 1.23 0.00 -0.09 2.17 0.00 0.28 -2.77 103.07 103.90 2c3t h GLY 179 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 2c3t h GLY 179 CO -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 176.54 176.15 2c3t n ALA 180 N -1.93 3.22 -0.11 3.60 0.00 -0.34 -4.41 120.51 120.55 2c3t n ALA 180 Ca 0.03 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.00 2c3t n ALA 180 Cb 0.34 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.75 2c3t n ALA 180 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c3t n GLY 181 N 1.36 0.71 3.77 0.00 0.00 -0.93 -4.77 105.19 105.33 2c3t n GLY 181 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 2c3t n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c3t s GLN 183 N -1.96 3.81 -0.11 0.00 -0.21 -1.26 -4.40 119.66 115.53 2c3t s GLN 183 Ca 0.51 -2.01 -0.27 0.00 0.02 0.00 0.00 55.36 53.61 2c3t s GLN 183 Cb -0.28 -5.07 -0.26 0.00 1.00 0.00 0.00 33.01 28.39 2c3t s GLN 183 CO 0.36 -1.86 0.84 0.28 -2.12 0.00 0.00 175.29 172.80 2c3t h VAL 184 N 5.49 1.71 0.00 1.09 2.07 -1.92 -3.38 116.25 121.30 2c3t h VAL 184 Ca 0.24 -2.28 -0.00 0.00 0.82 0.00 0.00 66.70 65.48 2c3t h VAL 184 Cb 0.96 3.24 -0.00 0.00 -1.52 0.00 0.00 31.29 33.97 2c3t h VAL 184 CO 1.22 0.60 -1.31 0.49 0.02 0.00 0.00 177.57 178.59 2c3t n PHE 185 N -4.53 0.68 -1.91 1.57 3.01 -1.26 -4.72 117.46 110.30 2c3t n PHE 185 Ca -0.11 0.20 -0.42 0.00 1.01 0.00 0.00 57.45 58.13 2c3t n PHE 185 Cb 0.53 -0.83 -0.03 0.00 -0.01 0.00 0.00 39.48 39.14 2c3t n PHE 185 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 2c3t s GLU 186 N -3.40 4.00 0.00 -1.08 8.01 -1.26 -1.23 118.70 123.73 2c3t s GLU 186 Ca -0.03 2.17 0.00 0.00 0.01 0.00 0.00 54.97 57.12 2c3t s GLU 186 Cb 0.11 -4.07 0.00 0.00 -4.31 0.00 0.00 34.13 25.86 2c3t s GLU 186 CO 0.83 -1.08 0.00 0.41 0.01 0.00 0.00 175.26 175.43 2c3t n GLY 187 N 4.48 0.52 2.35 -1.39 0.00 -1.26 -5.00 105.19 104.89 2c3t n GLY 187 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 2c3t n GLY 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c3t n ARG 188 N -2.00 1.70 -0.29 1.61 1.74 -0.37 -4.99 116.66 114.06 2c3t n ARG 188 Ca 0.00 -4.03 0.11 0.00 -0.77 0.00 0.00 57.85 53.16 2c3t n ARG 188 Cb 0.00 -1.82 0.27 0.00 -1.02 0.00 0.00 32.46 29.89 2c3t n ARG 188 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2c3t h PRO 189 N 4.20 0.24 -0.67 5.56 0.13 -1.95 -1.08 132.00 138.43 2c3t h PRO 189 Ca 0.15 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 65.21 2c3t h PRO 189 Cb 0.76 -0.05 -0.03 0.00 0.13 0.00 0.00 31.00 31.81 2c3t h PRO 189 CO 0.67 0.16 0.22 0.87 -0.23 0.00 0.00 178.00 179.69 2c3t h LYS 190 N 0.25 1.01 0.00 0.86 1.57 -1.94 -0.37 116.57 117.95 2c3t h LYS 190 Ca 0.52 -0.19 -0.15 0.00 -1.87 0.00 0.00 60.65 58.96 2c3t h LYS 190 Cb 1.02 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.15 2c3t h LYS 190 CO -0.61 0.85 -0.72 -0.07 -0.57 0.00 0.00 179.45 178.33 2c3t h LEU 191 N 0.98 0.00 -0.32 2.94 3.38 -1.61 -2.39 115.31 118.29 2c3t h LEU 191 Ca 0.22 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.00 2c3t h LEU 191 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2c3t h LEU 191 CO -0.01 0.72 -0.66 0.00 0.09 0.00 0.00 178.44 178.58 2c3t h ALA 192 N 1.28 0.49 -0.44 1.53 0.00 -0.96 -1.11 119.26 120.05 2c3t h ALA 192 Ca -0.01 -0.56 -0.06 0.00 0.00 0.00 0.00 54.91 54.28 2c3t h ALA 192 Cb 1.32 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 2c3t h ALA 192 CO 0.09 0.70 0.03 1.15 0.00 0.00 0.00 179.25 181.23 2c3t h THR 193 N 0.50 1.25 -0.61 0.00 2.02 -1.08 -2.93 112.91 112.06 2c3t h THR 193 Ca -0.02 -0.97 -0.07 0.00 0.77 0.00 0.00 66.41 66.13 2c3t h THR 193 Cb 1.25 1.02 -0.03 0.00 -1.74 0.00 0.00 68.15 68.66 2c3t h THR 193 CO 0.13 0.33 0.12 -0.25 0.37 0.00 0.00 175.52 176.23 2c3t h TRP 194 N 0.60 1.02 -0.77 3.16 7.01 -1.39 -2.62 115.95 122.96 2c3t h TRP 194 Ca 0.13 -0.12 0.00 0.00 2.11 0.00 0.00 58.89 61.01 2c3t h TRP 194 Cb 0.44 -0.29 -0.04 0.00 -2.10 0.00 0.00 29.16 27.17 2c3t h TRP 194 CO 0.03 0.86 0.50 -0.09 -2.79 0.00 0.00 178.44 176.95 2c3t h ARG 195 N 0.92 1.03 -0.27 2.65 2.43 -1.04 -0.79 114.38 119.31 2c3t h ARG 195 Ca 0.19 -0.07 -0.12 0.00 -0.81 0.00 0.00 59.98 59.17 2c3t h ARG 195 Cb 0.37 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 2c3t h ARG 195 CO 0.01 0.69 -0.35 1.96 -1.51 0.00 0.00 179.97 180.77 2c3t h GLN 196 N 1.05 0.59 -0.56 0.20 1.08 -1.35 -1.97 115.11 114.17 2c3t h GLN 196 Ca 0.28 -0.28 -0.11 0.00 -1.45 0.00 0.00 58.65 57.10 2c3t h GLN 196 Cb -0.10 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.30 2c3t h GLN 196 CO -0.06 0.86 -0.08 0.00 -0.95 0.00 0.00 178.83 178.60 2c3t h ARG 197 N 0.50 1.03 0.01 1.46 3.08 -1.06 -2.22 114.38 117.18 2c3t h ARG 197 Ca 0.05 -0.36 -0.00 0.00 0.07 0.00 0.00 59.98 59.74 2c3t h ARG 197 Cb 0.84 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.81 2c3t h ARG 197 CO 0.07 1.05 -0.00 0.28 -1.07 0.00 0.00 179.97 180.30 2c3t h VAL 198 N 0.92 1.26 0.00 2.04 2.07 -0.97 -1.97 116.25 119.61 2c3t h VAL 198 Ca 0.15 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.87 2c3t h VAL 198 Cb 0.64 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 2c3t h VAL 198 CO 0.04 0.21 0.00 1.05 0.02 0.00 0.00 177.57 178.89 2c3t h GLU 199 N -0.35 0.00 0.03 1.57 4.11 -1.40 0.26 114.58 118.80 2c3t h GLU 199 Ca -0.00 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.19 2c3t h GLU 199 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2c3t h GLU 199 CO 0.00 0.00 -1.02 0.00 0.07 0.00 0.00 179.01 178.06 2c3t h ALA 200 N 2.08 0.29 0.00 1.06 0.00 -1.29 0.16 119.26 121.56 2c3t h ALA 200 Ca 0.00 -0.75 -0.15 0.00 0.00 0.00 0.00 54.91 54.01 2c3t h ALA 200 Cb 0.51 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2c3t h ALA 200 CO 0.00 0.84 -0.73 0.00 0.00 0.00 0.00 179.25 179.36 2c3t h ALA 201 N 0.69 0.72 0.04 0.00 0.00 -0.68 -3.15 119.26 116.88 2c3t h ALA 201 Ca -0.10 -0.66 -0.26 0.00 0.00 0.00 0.00 54.91 53.89 2c3t h ALA 201 Cb 1.67 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.32 2c3t h ALA 201 CO 0.17 0.91 -1.34 0.28 0.00 0.00 0.00 179.25 179.27 2c3t h VAL 202 N 0.00 1.33 0.00 0.00 2.07 -0.96 -3.50 116.25 115.18 2c3t h VAL 202 Ca -0.01 -3.04 0.00 0.00 0.82 0.00 0.00 66.70 64.47 2c3t h VAL 202 Cb 1.35 2.72 0.00 0.00 -1.52 0.00 0.00 31.29 33.84 2c3t h VAL 202 CO 0.09 0.81 0.00 0.61 0.02 0.00 0.00 177.57 179.10 2c3t n GLY 203 N 1.50 1.32 0.27 2.17 0.00 0.51 -4.73 105.19 106.23 2c3t n GLY 203 Ca -0.09 -1.12 0.05 0.00 0.00 0.00 0.00 46.02 44.86 2c3t n GLY 203 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2c3t h GLU 204 N 0.00 0.16 -0.46 1.61 3.07 -1.73 -0.94 114.58 116.29 2c3t h GLU 204 Ca 0.00 -0.01 0.04 0.00 -0.50 0.00 0.00 59.36 58.89 2c3t h GLU 204 Cb 0.00 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 27.83 2c3t h GLU 204 CO 0.00 0.10 0.21 -0.44 -1.40 0.00 0.00 179.01 177.48 2c3t h ASP 205 N 0.16 0.28 -0.41 1.42 3.32 -1.92 0.14 116.42 119.41 2c3t h ASP 205 Ca 0.41 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.43 2c3t h ASP 205 Cb 0.73 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 2c3t h ASP 205 CO -0.60 0.20 -0.00 0.25 -1.72 0.00 0.00 179.24 177.37 2c3t h LEU 206 N 0.42 0.71 -0.44 1.55 5.85 -1.71 0.93 115.31 122.62 2c3t h LEU 206 Ca 0.20 -0.31 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 2c3t h LEU 206 Cb 0.14 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 2c3t h LEU 206 CO -0.16 0.85 0.15 0.15 -0.34 0.00 0.00 178.44 179.09 2c3t h PHE 207 N 0.55 0.69 -0.50 1.25 3.57 -0.96 -0.76 116.94 120.78 2c3t h PHE 207 Ca 0.12 -0.06 -0.05 0.00 3.53 0.00 0.00 57.97 61.51 2c3t h PHE 207 Cb 0.49 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 2c3t h PHE 207 CO 0.04 0.61 0.13 0.37 -2.23 0.00 0.00 178.31 177.22 2c3t h GLN 208 N 0.56 0.80 -0.40 1.11 4.15 -0.66 -2.74 115.11 117.93 2c3t h GLN 208 Ca 0.14 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 59.37 2c3t h GLN 208 Cb 0.23 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.80 2c3t h GLN 208 CO -0.01 0.77 0.25 1.49 -1.93 0.00 0.00 178.83 179.40 2c3t h GLU 209 N 0.69 0.53 0.00 1.69 4.81 -0.58 -2.73 114.58 118.99 2c3t h GLU 209 Ca 0.16 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 2c3t h GLU 209 Cb 0.32 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 2c3t h GLU 209 CO 0.00 0.37 -0.17 0.00 -0.73 0.00 0.00 179.01 178.48 2c3t h ALA 210 N 1.13 1.15 -0.66 2.92 0.00 -1.08 -3.15 119.26 119.56 2c3t h ALA 210 Ca 0.14 -0.16 -0.32 0.00 0.00 0.00 0.00 54.91 54.58 2c3t h ALA 210 Cb -0.03 -0.03 -0.19 0.00 0.00 0.00 0.00 17.79 17.54 2c3t h ALA 210 CO -0.03 0.22 0.27 0.72 0.00 0.00 0.00 179.25 180.43 2c3t n HIS 211 N -3.52 2.08 0.09 0.00 8.25 -1.04 -4.63 115.22 116.45 2c3t n HIS 211 Ca -0.01 -1.62 -0.21 0.00 -0.26 0.00 0.00 57.72 55.62 2c3t n HIS 211 Cb 0.33 -0.70 -0.12 0.00 1.12 0.00 0.00 29.99 30.62 2c3t n HIS 211 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 2c3t h GLU 212 N 1.24 0.58 -0.02 -0.41 5.08 -1.50 -3.20 114.58 116.36 2c3t h GLU 212 Ca 0.39 -0.77 -0.19 0.00 -1.00 0.00 0.00 59.36 57.79 2c3t h GLU 212 Cb 2.24 0.25 0.01 0.00 0.50 0.00 0.00 28.75 31.76 2c3t h GLU 212 CO 0.72 1.34 -0.73 0.28 -1.00 0.00 0.00 179.01 179.62 2c3t h VAL 213 N 0.26 1.37 0.00 3.13 2.07 -1.83 -3.22 116.25 118.03 2c3t h VAL 213 Ca -0.17 -2.10 -0.03 0.00 0.82 0.00 0.00 66.70 65.22 2c3t h VAL 213 Cb 1.89 2.46 -0.00 0.00 -1.52 0.00 0.00 31.29 34.12 2c3t h VAL 213 CO 0.23 0.63 -0.12 -0.29 0.02 0.00 0.00 177.57 178.04 2c3t h ILE 214 N 0.10 0.67 -0.00 4.57 6.09 -1.72 -1.85 117.51 125.37 2c3t h ILE 214 Ca -0.09 -0.50 0.00 0.00 -1.37 0.00 0.00 64.86 62.90 2c3t h ILE 214 Cb 1.42 1.31 0.00 0.00 0.47 0.00 0.00 36.82 40.02 2c3t h ILE 214 CO 0.15 0.12 -0.28 0.18 -3.07 0.00 0.00 178.15 175.25 2c3t n LEU 215 N -3.79 0.51 -1.18 2.19 4.77 -1.21 -3.17 117.00 115.12 2c3t n LEU 215 Ca -0.02 0.04 0.10 0.00 -0.03 0.00 0.00 56.01 56.10 2c3t n LEU 215 Cb 0.22 -0.25 0.28 0.00 -2.33 0.00 0.00 43.42 41.34 2c3t n LEU 215 CO 0.31 0.11 0.74 0.29 -1.33 0.00 0.00 177.39 177.51 2c3t n LYS 216 N -1.21 2.87 -0.07 3.23 5.02 -0.70 -4.57 118.16 122.72 2c3t n LYS 216 Ca 0.09 -2.53 0.10 0.00 -2.02 0.00 0.00 58.31 53.95 2c3t n LYS 216 Cb 0.32 -1.53 0.48 0.00 -0.02 0.00 0.00 35.03 34.28 2c3t n LYS 216 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2c3t h ALA 217 N 3.64 1.93 -0.03 7.82 0.00 -1.49 -0.11 119.26 131.01 2c3t h ALA 217 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2c3t h ALA 217 Cb 0.98 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2c3t h ALA 217 CO 0.03 -0.04 0.00 0.36 0.00 0.00 0.00 179.25 179.60 2c3t n LYS 218 N -4.47 1.13 0.00 0.00 2.85 -1.26 -3.54 118.16 112.86 2c3t n LYS 218 Ca 0.08 -0.20 0.01 0.00 -1.05 0.00 0.00 58.31 57.16 2c3t n LYS 218 Cb 0.30 -1.31 0.00 0.00 -0.65 0.00 0.00 35.03 33.37 2c3t n LYS 218 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2c3t n ASP 219 N -0.59 0.71 -4.73 -5.58 8.00 -0.07 -5.04 116.55 109.26 2c3t n ASP 219 Ca 0.14 -0.86 -0.41 0.00 0.71 0.00 0.00 54.79 54.37 2c3t n ASP 219 Cb 0.11 0.41 -0.03 0.00 -0.02 0.00 0.00 41.12 41.59 2c3t n ASP 219 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2c3t s PHE 220 N -0.56 3.27 0.65 1.24 0.40 -1.16 -5.01 117.98 116.81 2c3t s PHE 220 Ca 0.01 1.20 -0.14 0.00 -0.60 0.00 0.00 56.93 57.40 2c3t s PHE 220 Cb 0.01 -3.60 -0.01 0.00 0.51 0.00 0.00 43.02 39.94 2c3t s PHE 220 CO 0.04 -1.89 1.08 -2.14 0.70 0.00 0.00 175.22 173.02 2c3t s PRO 221 N 0.10 2.96 0.74 0.24 0.02 -1.26 -4.60 135.00 133.19 2c3t s PRO 221 Ca 0.58 1.26 -0.16 0.00 0.02 0.00 0.00 61.00 62.70 2c3t s PRO 221 Cb -0.36 -1.98 -0.00 0.00 0.02 0.00 0.00 34.50 32.18 2c3t s PRO 221 CO 0.37 -1.11 0.79 -2.30 -0.33 0.00 0.00 177.00 174.42 2c3t n PRO 222 N -2.43 0.37 -3.62 5.54 -0.02 -1.26 -4.83 135.00 128.74 2c3t n PRO 222 Ca 0.09 0.18 -0.36 0.00 -2.02 0.00 0.00 63.50 61.39 2c3t n PRO 222 Cb 0.53 -2.07 -0.07 0.00 -0.02 0.00 0.00 33.50 31.87 2c3t n PRO 222 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2c3t s ALA 223 N -1.90 3.67 0.44 3.55 0.00 -1.03 -5.07 121.76 121.42 2c3t s ALA 223 Ca 0.70 -0.49 -0.25 0.00 0.00 0.00 0.00 51.96 51.91 2c3t s ALA 223 Cb -0.34 -2.29 -0.08 0.00 0.00 0.00 0.00 23.12 20.41 2c3t s ALA 223 CO 0.54 0.23 1.36 0.16 0.00 0.00 0.00 175.76 178.06 2c3t s ASP 224 N 0.02 6.01 0.24 0.00 1.47 -1.26 -4.68 116.67 118.48 2c3t s ASP 224 Ca 0.16 2.78 0.20 0.00 1.18 0.00 0.00 52.55 56.87 2c3t s ASP 224 Cb -0.13 -2.64 0.79 0.00 -0.34 0.00 0.00 42.92 40.59 2c3t s ASP 224 CO 0.04 -1.07 0.76 -2.65 0.68 0.00 0.00 175.17 172.93 2c3t n PRO 225 N -0.15 -0.01 0.21 2.11 -0.02 -1.26 -1.94 135.00 133.95 2c3t n PRO 225 Ca 0.05 0.57 -0.10 0.00 -2.02 0.00 0.00 63.50 62.00 2c3t n PRO 225 Cb 0.43 -1.21 -0.05 0.00 -0.02 0.00 0.00 33.50 32.65 2c3t n PRO 225 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 2c3t h THR 226 N 0.00 0.09 -0.34 3.45 1.35 -2.00 -2.77 112.91 112.69 2c3t h THR 226 Ca 0.44 -0.58 0.02 0.00 -0.55 0.00 0.00 66.41 65.74 2c3t h THR 226 Cb 1.62 0.14 -0.03 0.00 -1.73 0.00 0.00 68.15 68.15 2c3t h THR 226 CO -0.11 0.02 0.17 0.40 -0.25 0.00 0.00 175.52 175.74 2c3t h ILE 227 N -1.13 0.98 -0.63 6.82 2.04 -1.74 -2.76 117.51 121.09 2c3t h ILE 227 Ca -0.06 -0.12 0.05 0.00 1.00 0.00 0.00 64.86 65.73 2c3t h ILE 227 Cb 0.49 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 2c3t h ILE 227 CO 0.10 0.06 0.42 0.50 0.00 0.00 0.00 178.15 179.23 2c3t h LYS 228 N 0.35 0.65 -0.07 2.37 3.64 -1.64 -0.54 116.57 121.32 2c3t h LYS 228 Ca 0.14 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.38 2c3t h LYS 228 Cb 0.05 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 2c3t h LYS 228 CO -0.10 0.43 -0.42 0.37 -2.27 0.00 0.00 179.45 177.46 2c3t h GLN 229 N 0.66 0.15 0.00 1.90 4.15 -1.20 -0.82 115.11 119.95 2c3t h GLN 229 Ca 0.26 -0.07 -0.18 0.00 0.77 0.00 0.00 58.65 59.43 2c3t h GLN 229 Cb 0.20 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.86 2c3t h GLN 229 CO -0.08 0.55 -1.39 0.87 -1.93 0.00 0.00 178.83 176.85 2c3t h LYS 230 N 0.13 0.00 0.09 1.69 1.57 -1.25 -3.38 116.57 115.42 2c3t h LYS 230 Ca 0.01 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.51 2c3t h LYS 230 Cb 0.80 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 2c3t h LYS 230 CO 0.06 0.34 -1.42 -0.07 -0.57 0.00 0.00 179.45 177.79 2c3t h LEU 231 N 0.00 0.29 -0.48 2.94 3.38 -1.05 -3.36 115.31 117.03 2c3t h LEU 231 Ca -0.17 -0.39 0.05 0.00 0.09 0.00 0.00 57.88 57.47 2c3t h LEU 231 Cb 1.63 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 42.20 2c3t h LEU 231 CO 0.05 1.32 -0.52 -0.03 0.09 0.00 0.00 178.44 179.36 2c3t h MET 232 N 0.05 -0.28 0.00 1.13 4.05 -1.32 0.18 114.93 118.74 2c3t h MET 232 Ca -0.19 0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.22 2c3t h MET 232 Cb 1.97 0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 32.83 2c3t h MET 232 CO 0.15 -0.19 -0.14 -1.00 0.23 0.00 0.00 176.91 175.97 2c3t h PRO 233 N -0.29 0.00 -0.32 0.39 0.13 -1.79 -1.43 132.00 128.69 2c3t h PRO 233 Ca 0.08 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.07 2c3t h PRO 233 Cb 0.51 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.64 2c3t h PRO 233 CO -0.61 0.14 -0.36 0.00 -0.23 0.00 0.00 178.00 176.93 2c3t h ARG 234 N 0.00 0.81 -0.03 0.86 2.47 -1.30 -2.92 114.38 114.26 2c3t h ARG 234 Ca -0.00 -0.44 -0.03 0.00 -1.26 0.00 0.00 59.98 58.25 2c3t h ARG 234 Cb 0.32 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.67 2c3t h ARG 234 CO 0.02 1.08 -0.08 0.28 0.56 0.00 0.00 179.97 181.82 2c3t h VAL 235 N 0.58 1.45 -0.73 2.04 2.07 -0.31 -2.57 116.25 118.78 2c3t h VAL 235 Ca 0.04 -1.46 0.17 0.00 0.82 0.00 0.00 66.70 66.28 2c3t h VAL 235 Cb 0.95 2.34 -0.04 0.00 -1.52 0.00 0.00 31.29 33.02 2c3t h VAL 235 CO 0.09 0.39 0.50 -0.07 0.02 0.00 0.00 177.57 178.50 2c3t h LEU 236 N -0.43 0.21 0.00 2.57 3.38 -1.37 0.99 115.31 120.67 2c3t h LEU 236 Ca -0.00 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2c3t h LEU 236 Cb 0.68 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2c3t h LEU 236 CO 0.02 0.10 -0.71 0.00 0.09 0.00 0.00 178.44 177.94 2c3t h ALA 237 N 1.65 0.68 0.04 1.53 0.00 -1.52 -3.35 119.26 118.29 2c3t h ALA 237 Ca 0.36 -0.15 -0.24 0.00 0.00 0.00 0.00 54.91 54.88 2c3t h ALA 237 Cb 1.08 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2c3t h ALA 237 CO -0.07 0.18 -1.13 1.98 0.00 0.00 0.00 179.25 180.20 2c3t h MET 238 N 0.00 0.08 -0.61 0.00 1.85 -0.40 -3.37 114.93 112.47 2c3t h MET 238 Ca -0.02 -0.13 0.00 0.00 -0.61 0.00 0.00 59.70 58.94 2c3t h MET 238 Cb 1.11 0.05 0.00 0.00 0.43 0.00 0.00 31.60 33.19 2c3t h MET 238 CO 0.01 1.02 0.00 0.44 -0.40 0.00 0.00 176.91 177.98 2c3t n ILE 239 N -3.38 2.39 1.08 1.77 -5.35 -0.75 -5.05 119.36 110.08 2c3t n ILE 239 Ca -0.04 -1.33 0.12 0.00 -0.27 0.00 0.00 62.75 61.23 2c3t n ILE 239 Cb 0.97 -0.11 0.17 0.00 -1.74 0.00 0.00 39.64 38.93 2c3t n ILE 239 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68