#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jsi s LYS 2 N 0.00 1.11 -0.03 -1.24 -2.85 -1.26 -5.15 119.74 110.32 1jsi s LYS 2 Ca 0.00 -0.56 0.02 0.00 -1.00 0.00 0.00 55.97 54.43 1jsi s LYS 2 Cb 0.00 0.50 0.01 0.00 -2.06 0.00 0.00 37.83 36.27 1jsi s LYS 2 CO 0.00 -0.44 -0.08 -1.50 0.10 0.00 0.00 175.35 173.43 1jsi s ILE 3 N -3.52 0.73 0.13 3.79 2.07 -1.26 -5.15 121.20 117.99 1jsi s ILE 3 Ca 0.01 -0.32 0.10 0.00 -1.41 0.00 0.00 60.65 59.03 1jsi s ILE 3 Cb 0.01 -0.67 -0.04 0.00 0.13 0.00 0.00 42.46 41.89 1jsi s ILE 3 CO -0.10 0.24 -0.23 0.00 -1.91 0.00 0.00 174.94 172.93 1jsi s ILE 5 N -1.26 4.97 0.29 0.00 1.09 -1.26 -5.09 121.20 119.95 1jsi s ILE 5 Ca 0.12 -0.05 -0.06 0.00 -1.10 0.00 0.00 60.65 59.56 1jsi s ILE 5 Cb -0.09 -3.16 0.03 0.00 -1.06 0.00 0.00 42.46 38.17 1jsi s ILE 5 CO 0.06 0.57 0.50 0.61 -0.10 0.00 0.00 174.94 176.58 1jsi n GLY 6 N 1.90 1.78 3.05 6.18 0.00 -1.26 -5.18 105.19 111.66 1jsi n GLY 6 Ca -0.18 -1.39 -0.08 0.00 0.00 0.00 0.00 46.02 44.37 1jsi n GLY 6 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1jsi s TYR 7 N -3.51 0.43 0.44 1.61 -0.85 -1.26 -5.15 117.35 109.06 1jsi s TYR 7 Ca 0.18 -0.85 -0.24 0.00 -0.52 0.00 0.00 57.07 55.64 1jsi s TYR 7 Cb -0.02 -0.32 -0.08 0.00 0.38 0.00 0.00 41.96 41.92 1jsi s TYR 7 CO 0.13 -0.30 1.22 -1.14 -1.52 0.00 0.00 175.55 173.95 1jsi s GLN 8 N -2.94 3.82 -0.01 -3.49 0.74 -1.26 -5.06 119.66 111.45 1jsi s GLN 8 Ca -0.02 1.94 0.03 0.00 0.05 0.00 0.00 55.36 57.37 1jsi s GLN 8 Cb 0.01 -2.55 -0.01 0.00 1.10 0.00 0.00 33.01 31.56 1jsi s GLN 8 CO -0.06 -0.55 -0.11 0.45 -0.55 0.00 0.00 175.29 174.47 1jsi s SER 9 N -1.09 1.25 0.33 6.67 0.15 -1.26 -4.73 113.70 115.01 1jsi s SER 9 Ca 0.61 -0.19 0.06 0.00 0.70 0.00 0.00 55.95 57.13 1jsi s SER 9 Cb -0.33 -0.15 -0.02 0.00 -1.71 0.00 0.00 66.02 63.81 1jsi s SER 9 CO 0.41 0.13 0.22 0.35 1.20 0.00 0.00 173.24 175.54 1jsi n THR 10 N 2.84 0.00 0.01 6.45 -2.24 -1.26 -5.04 114.28 115.04 1jsi n THR 10 Ca -0.14 -2.23 0.07 0.00 -2.27 0.00 0.00 64.05 59.48 1jsi n THR 10 Cb 0.56 1.01 0.26 0.00 -2.10 0.00 0.00 70.33 70.06 1jsi n THR 10 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1jsi n ASN 11 N -1.72 3.56 -4.75 3.42 3.02 -1.26 -4.95 115.26 112.58 1jsi n ASN 11 Ca 0.03 -2.33 -0.42 0.00 -0.03 0.00 0.00 54.58 51.84 1jsi n ASN 11 Cb 0.56 -0.49 -0.00 0.00 -0.61 0.00 0.00 39.78 39.23 1jsi n ASN 11 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1jsi n SER 12 N 0.73 3.57 -0.84 6.41 2.88 -1.26 -4.89 113.62 120.23 1jsi n SER 12 Ca 0.18 1.21 0.08 0.00 -1.33 0.00 0.00 58.87 59.02 1jsi n SER 12 Cb 0.68 -1.59 0.16 0.00 -0.75 0.00 0.00 64.21 62.71 1jsi n SER 12 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1jsi n THR 13 N 0.67 0.54 -1.91 2.46 -2.24 -1.26 -4.86 114.28 107.68 1jsi n THR 13 Ca 0.03 -0.77 -0.41 0.00 -2.27 0.00 0.00 64.05 60.63 1jsi n THR 13 Cb 0.38 0.89 -0.01 0.00 -2.10 0.00 0.00 70.33 69.49 1jsi n THR 13 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1jsi s GLU 14 N -1.19 4.19 0.10 -0.78 0.41 -1.26 -4.93 118.70 115.24 1jsi s GLU 14 Ca 0.28 2.45 0.02 0.00 -0.41 0.00 0.00 54.97 57.31 1jsi s GLU 14 Cb 0.16 -3.02 -0.04 0.00 -1.78 0.00 0.00 34.13 29.45 1jsi s GLU 14 CO 0.23 -0.44 -0.07 0.95 -0.49 0.00 0.00 175.26 175.43 1jsi s THR 15 N -0.83 0.74 0.13 3.63 -4.23 -1.26 -1.42 115.64 112.41 1jsi s THR 15 Ca 0.54 -1.94 -0.03 0.00 -1.18 0.00 0.00 61.69 59.08 1jsi s THR 15 Cb -0.44 -1.69 -0.03 0.00 1.34 0.00 0.00 72.50 71.67 1jsi s THR 15 CO 0.56 -0.86 0.09 0.68 -0.54 0.00 0.00 174.62 174.55 1jsi s VAL 16 N -3.58 0.11 0.24 2.29 -7.23 -0.09 -4.87 120.40 107.26 1jsi s VAL 16 Ca 0.12 -1.80 0.09 0.00 -1.81 0.00 0.00 61.98 58.59 1jsi s VAL 16 Cb 0.05 -1.96 -0.04 0.00 0.56 0.00 0.00 36.38 34.99 1jsi s VAL 16 CO -0.04 -0.48 -0.02 -1.81 -0.31 0.00 0.00 175.10 172.44 1jsi s ASP 17 N -3.02 4.54 0.33 4.85 1.01 -1.26 0.01 116.67 123.12 1jsi s ASP 17 Ca 0.21 -0.59 0.06 0.00 0.71 0.00 0.00 52.55 52.94 1jsi s ASP 17 Cb 0.07 -0.85 -0.02 0.00 1.01 0.00 0.00 42.92 43.12 1jsi s ASP 17 CO 0.00 0.03 0.22 0.35 0.21 0.00 0.00 175.17 175.98 1jsi n THR 18 N -0.63 0.00 0.10 -1.27 -2.24 1.00 -4.99 114.28 106.24 1jsi n THR 18 Ca -0.08 -2.21 -0.05 0.00 -2.27 0.00 0.00 64.05 59.44 1jsi n THR 18 Cb 0.58 1.01 0.03 0.00 -2.10 0.00 0.00 70.33 69.84 1jsi n THR 18 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1jsi h LEU 19 N 0.00 0.08 -2.98 3.22 5.85 -2.04 -3.26 115.31 116.17 1jsi h LEU 19 Ca -0.24 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.42 1jsi h LEU 19 Cb 1.10 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.11 1jsi h LEU 19 CO 0.36 0.85 0.00 0.35 -0.34 0.00 0.00 178.44 179.66 1jsi n THR 20 N -3.62 1.45 -3.63 1.05 -2.24 -1.26 -4.97 114.28 101.05 1jsi n THR 20 Ca -0.01 -1.14 -0.05 0.00 -2.27 0.00 0.00 64.05 60.57 1jsi n THR 20 Cb 0.77 0.29 -0.06 0.00 -2.10 0.00 0.00 70.33 69.24 1jsi n THR 20 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1jsi s GLU 21 N -1.48 0.24 0.10 -0.78 2.12 -1.23 -5.18 118.70 112.50 1jsi s GLU 21 Ca 0.45 0.17 0.08 0.00 0.36 0.00 0.00 54.97 56.03 1jsi s GLU 21 Cb 0.27 0.12 -0.04 0.00 0.26 0.00 0.00 34.13 34.74 1jsi s GLU 21 CO 0.25 -0.05 -0.20 -0.08 -0.54 0.00 0.00 175.26 174.63 1jsi s THR 22 N -0.44 1.69 -1.25 -1.70 -1.32 -1.26 -0.00 115.64 111.35 1jsi s THR 22 Ca 0.05 -1.55 -0.06 0.00 -1.21 0.00 0.00 61.69 58.92 1jsi s THR 22 Cb -0.03 -1.55 0.01 0.00 -1.51 0.00 0.00 72.50 69.42 1jsi s THR 22 CO -0.08 -0.08 1.08 0.59 -2.21 0.00 0.00 174.62 173.91 1jsi n ASN 23 N 1.05 -4.73 -4.71 8.08 3.02 -1.04 -4.95 115.26 111.98 1jsi n ASN 23 Ca -0.19 -0.55 -0.42 0.00 -0.03 0.00 0.00 54.58 53.39 1jsi n ASN 23 Cb 0.54 -4.90 -0.03 0.00 -0.61 0.00 0.00 39.78 34.78 1jsi n ASN 23 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1jsi s VAL 24 N -3.32 3.93 0.16 2.41 1.01 0.10 -4.73 120.40 119.96 1jsi s VAL 24 Ca 0.36 1.38 -0.30 0.00 0.00 0.00 0.00 61.98 63.42 1jsi s VAL 24 Cb -0.16 -3.88 -0.07 0.00 0.00 0.00 0.00 36.38 32.26 1jsi s VAL 24 CO 0.70 0.10 1.16 -2.84 0.00 0.00 0.00 175.10 174.22 1jsi s PRO 25 N 1.17 4.52 0.07 2.72 0.02 -1.26 -0.91 135.00 141.33 1jsi s PRO 25 Ca 0.60 1.79 0.04 0.00 0.02 0.00 0.00 61.00 63.44 1jsi s PRO 25 Cb -0.30 -3.28 -0.03 0.00 0.02 0.00 0.00 34.50 30.91 1jsi s PRO 25 CO 0.29 -0.05 -0.10 0.14 -0.33 0.00 0.00 177.00 176.94 1jsi s VAL 26 N 0.09 0.85 0.21 3.83 -7.23 -0.50 0.07 120.40 117.72 1jsi s VAL 26 Ca 0.52 -1.39 0.01 0.00 -1.81 0.00 0.00 61.98 59.31 1jsi s VAL 26 Cb -0.31 -1.07 -0.05 0.00 0.56 0.00 0.00 36.38 35.51 1jsi s VAL 26 CO 0.34 -0.43 1.53 0.71 -0.31 0.00 0.00 175.10 176.94 1jsi h THR 27 N 4.01 1.35 -3.02 5.32 1.35 -1.42 -3.39 112.91 117.12 1jsi h THR 27 Ca -0.38 -1.91 -0.15 0.00 -0.55 0.00 0.00 66.41 63.43 1jsi h THR 27 Cb 1.19 1.91 -0.25 0.00 -1.73 0.00 0.00 68.15 69.27 1jsi h THR 27 CO 0.46 0.58 -0.37 -1.00 -0.25 0.00 0.00 175.52 174.94 1jsi s HIS 28 N -3.85 -0.32 0.15 4.73 3.76 -1.26 -4.78 115.29 113.72 1jsi s HIS 28 Ca -0.06 0.77 -0.08 0.00 -0.15 0.00 0.00 55.06 55.55 1jsi s HIS 28 Cb 0.12 0.11 -0.01 0.00 1.11 0.00 0.00 32.58 33.90 1jsi s HIS 28 CO 0.82 -0.16 0.25 0.00 -0.85 0.00 0.00 174.74 174.80 1jsi s ALA 29 N 0.11 0.06 -0.08 -1.40 0.00 -1.26 -0.28 121.76 118.92 1jsi s ALA 29 Ca -0.00 -0.91 -0.01 0.00 0.00 0.00 0.00 51.96 51.04 1jsi s ALA 29 Cb -0.02 0.82 0.03 0.00 0.00 0.00 0.00 23.12 23.94 1jsi s ALA 29 CO 0.01 -0.62 -0.03 0.21 0.00 0.00 0.00 175.76 175.33 1jsi s LYS 30 N -3.96 0.88 -0.13 0.00 2.20 0.74 -4.87 119.74 114.60 1jsi s LYS 30 Ca 0.16 -0.02 -0.29 0.00 -0.36 0.00 0.00 55.97 55.46 1jsi s LYS 30 Cb 0.04 -1.10 -0.02 0.00 -1.51 0.00 0.00 37.83 35.24 1jsi s LYS 30 CO -0.01 -0.25 1.27 -2.00 -0.36 0.00 0.00 175.35 174.00 1jsi s GLU 31 N 1.71 4.26 0.00 4.03 2.56 -1.26 -0.83 118.70 129.17 1jsi s GLU 31 Ca 0.02 1.69 0.23 0.00 0.00 0.00 0.00 54.97 56.91 1jsi s GLU 31 Cb -0.13 -3.72 0.18 0.00 2.00 0.00 0.00 34.13 32.46 1jsi s GLU 31 CO -0.05 -0.65 1.19 1.28 -0.56 0.00 0.00 175.26 176.47 1jsi n LEU 32 N 6.27 1.18 -4.53 2.70 4.77 -0.47 -4.88 117.00 122.05 1jsi n LEU 32 Ca 0.13 -0.42 -0.38 0.00 -0.03 0.00 0.00 56.01 55.32 1jsi n LEU 32 Cb 0.45 -0.08 -0.12 0.00 -2.33 0.00 0.00 43.42 41.35 1jsi n LEU 32 CO 0.56 0.25 -0.21 -0.22 -1.33 0.00 0.00 177.39 176.44 1jsi s LEU 33 N -2.76 3.85 -0.06 2.23 2.96 -1.26 -2.42 118.68 121.23 1jsi s LEU 33 Ca 0.15 -0.12 -0.24 0.00 -0.22 0.00 0.00 54.13 53.70 1jsi s LEU 33 Cb 0.18 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 1jsi s LEU 33 CO 0.69 -0.06 0.74 -2.28 -1.32 0.00 0.00 176.35 174.11 1jsi s HIS 34 N 1.70 3.59 0.00 5.38 5.65 0.59 -4.89 115.29 127.31 1jsi s HIS 34 Ca 0.07 1.31 0.00 0.00 0.25 0.00 0.00 55.06 56.68 1jsi s HIS 34 Cb -0.16 -2.84 0.00 0.00 -1.18 0.00 0.00 32.58 28.40 1jsi s HIS 34 CO 0.08 0.08 0.60 0.25 -0.65 0.00 0.00 174.74 175.10 1jsi n THR 35 N 3.78 0.31 -3.97 0.89 -2.24 -1.26 -2.67 114.28 109.12 1jsi n THR 35 Ca -0.00 -0.56 -0.28 0.00 -2.27 0.00 0.00 64.05 60.94 1jsi n THR 35 Cb 0.51 0.96 -0.04 0.00 -2.10 0.00 0.00 70.33 69.66 1jsi n THR 35 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1jsi s SER 36 N -0.31 6.14 0.05 3.42 0.01 -1.26 -4.85 113.70 116.89 1jsi s SER 36 Ca 0.00 0.13 -0.13 0.00 1.31 0.00 0.00 55.95 57.26 1jsi s SER 36 Cb 0.00 -1.81 0.02 0.00 0.21 0.00 0.00 66.02 64.44 1jsi s SER 36 CO 0.00 0.10 0.29 -1.38 0.41 0.00 0.00 173.24 172.66 1jsi s HIS 37 N -1.65 -0.07 -2.04 2.43 -3.43 -1.26 -4.73 115.29 104.54 1jsi s HIS 37 Ca 0.34 -0.10 0.24 0.00 -0.80 0.00 0.00 55.06 54.73 1jsi s HIS 37 Cb -0.12 0.08 1.34 0.00 -1.43 0.00 0.00 32.58 32.46 1jsi s HIS 37 CO 0.27 -0.51 1.87 0.27 -2.00 0.00 0.00 174.74 174.64 1jsi n ASN 38 N 0.50 0.19 -1.26 7.38 0.23 0.23 -4.89 115.26 117.64 1jsi n ASN 38 Ca -0.18 -1.31 -0.16 0.00 -0.53 0.00 0.00 54.58 52.40 1jsi n ASN 38 Cb 0.60 -0.01 -0.07 0.00 -2.08 0.00 0.00 39.78 38.22 1jsi n ASN 38 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jsi n GLY 39 N 0.90 1.63 3.31 4.83 0.00 -1.26 -4.88 105.19 109.73 1jsi n GLY 39 Ca 0.18 -0.17 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 1jsi n GLY 39 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jsi s MET 40 N -3.37 1.29 -0.26 1.61 -1.94 -1.26 -4.49 119.30 110.88 1jsi s MET 40 Ca 0.00 -1.65 -0.12 0.00 -1.71 0.00 0.00 55.69 52.21 1jsi s MET 40 Cb 0.00 -0.56 -0.05 0.00 2.01 0.00 0.00 34.83 36.23 1jsi s MET 40 CO 0.00 -0.09 0.24 -0.51 -0.01 0.00 0.00 175.02 174.64 1jsi s LEU 41 N -3.28 4.06 0.00 -0.03 1.43 0.34 -2.87 118.68 118.33 1jsi s LEU 41 Ca 0.27 0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.51 1jsi s LEU 41 Cb 0.06 -2.21 -0.01 0.00 0.03 0.00 0.00 46.19 44.06 1jsi s LEU 41 CO 0.08 -0.05 0.05 0.00 0.23 0.00 0.00 176.35 176.66 1jsi s ALA 43 N -2.58 3.47 0.18 0.00 0.00 -0.62 -4.52 121.76 117.68 1jsi s ALA 43 Ca 0.07 -0.33 0.01 0.00 0.00 0.00 0.00 51.96 51.71 1jsi s ALA 43 Cb 0.00 -2.54 0.01 0.00 0.00 0.00 0.00 23.12 20.60 1jsi s ALA 43 CO 0.05 0.15 0.07 0.25 0.00 0.00 0.00 175.76 176.28 1jsi n THR 44 N -1.01 0.00 0.11 0.00 -2.24 -0.11 -1.45 114.28 109.58 1jsi n THR 44 Ca 0.01 -0.78 0.01 0.00 -2.27 0.00 0.00 64.05 61.02 1jsi n THR 44 Cb 0.54 -0.10 0.06 0.00 -2.10 0.00 0.00 70.33 68.73 1jsi n THR 44 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1jsi n ASN 45 N -1.55 0.00 -0.95 3.42 2.85 -1.26 -0.62 115.26 117.16 1jsi n ASN 45 Ca -0.04 0.46 0.11 0.00 -0.11 0.00 0.00 54.58 55.00 1jsi n ASN 45 Cb 0.22 -0.46 0.11 0.00 1.24 0.00 0.00 39.78 40.88 1jsi n ASN 45 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1jsi n LEU 46 N -1.46 2.99 0.00 1.20 4.77 -1.26 -5.08 117.00 118.15 1jsi n LEU 46 Ca 0.01 -1.08 0.00 0.00 -0.03 0.00 0.00 56.01 54.91 1jsi n LEU 46 Cb 0.03 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1jsi n LEU 46 CO 0.03 0.53 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1jsi n GLY 47 N 1.31 -0.30 3.85 -0.72 0.00 0.21 -4.25 105.19 105.30 1jsi n GLY 47 Ca 0.14 -2.23 -0.33 0.00 0.00 0.00 0.00 46.02 43.60 1jsi n GLY 47 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jsi s HIS 48 N 0.00 3.44 0.58 1.61 3.76 -1.26 -0.93 115.29 122.49 1jsi s HIS 48 Ca 0.00 1.17 -0.15 0.00 -0.15 0.00 0.00 55.06 55.94 1jsi s HIS 48 Cb 0.00 -2.49 -0.04 0.00 1.11 0.00 0.00 32.58 31.16 1jsi s HIS 48 CO 0.00 0.19 1.03 -1.25 -0.85 0.00 0.00 174.74 173.86 1jsi s PRO 49 N -2.71 3.50 -0.43 8.40 0.04 -1.26 -2.08 135.00 140.47 1jsi s PRO 49 Ca 0.50 1.04 -0.20 0.00 0.04 0.00 0.00 61.00 62.38 1jsi s PRO 49 Cb -0.12 -2.07 0.02 0.00 0.04 0.00 0.00 34.50 32.38 1jsi s PRO 49 CO 0.19 -0.65 0.60 -1.17 0.04 0.00 0.00 177.00 176.02 1jsi s LEU 50 N -4.57 4.55 -0.42 -3.56 2.96 0.23 -4.89 118.68 112.98 1jsi s LEU 50 Ca 0.60 -0.37 -0.17 0.00 -0.22 0.00 0.00 54.13 53.98 1jsi s LEU 50 Cb -0.13 -2.67 0.02 0.00 0.50 0.00 0.00 46.19 43.91 1jsi s LEU 50 CO 0.39 -0.73 0.42 -0.63 -1.32 0.00 0.00 176.35 174.49 1jsi s ILE 51 N 2.69 5.10 -0.44 6.68 1.01 -1.26 -0.96 121.20 134.02 1jsi s ILE 51 Ca 0.21 -0.36 -0.17 0.00 0.00 0.00 0.00 60.65 60.33 1jsi s ILE 51 Cb -0.15 -4.02 0.04 0.00 0.01 0.00 0.00 42.46 38.34 1jsi s ILE 51 CO 0.18 -0.40 0.45 -0.76 0.00 0.00 0.00 174.94 174.41 1jsi s LEU 52 N 2.10 5.03 -0.01 2.97 1.43 0.14 -4.92 118.68 125.41 1jsi s LEU 52 Ca 0.11 -0.85 0.18 0.00 -1.03 0.00 0.00 54.13 52.55 1jsi s LEU 52 Cb -0.17 -2.34 -0.22 0.00 0.03 0.00 0.00 46.19 43.48 1jsi s LEU 52 CO 0.13 -0.64 0.65 -0.90 0.23 0.00 0.00 176.35 175.82 1jsi n ASP 53 N 5.60 0.82 0.00 2.29 5.68 -1.26 -0.89 116.55 128.78 1jsi n ASP 53 Ca -0.08 -0.63 0.00 0.00 -0.50 0.00 0.00 54.79 53.58 1jsi n ASP 53 Cb 0.46 1.27 0.00 0.00 -1.14 0.00 0.00 41.12 41.71 1jsi n ASP 53 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1jsi n THR 54 N -1.65 0.00 -4.85 2.12 -2.24 -1.26 -2.41 114.28 103.99 1jsi n THR 54 Ca 0.01 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.46 1jsi n THR 54 Cb 0.34 0.05 -0.14 0.00 -2.10 0.00 0.00 70.33 68.49 1jsi n THR 54 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jsi s THR 56 N -0.25 4.00 0.24 0.00 -4.23 -0.78 -4.77 115.64 109.86 1jsi s THR 56 Ca 0.01 0.43 -0.04 0.00 -1.18 0.00 0.00 61.69 60.92 1jsi s THR 56 Cb -0.13 -3.62 0.22 0.00 1.34 0.00 0.00 72.50 70.31 1jsi s THR 56 CO 0.03 -0.75 1.72 0.40 -0.54 0.00 0.00 174.62 175.48 1jsi h ILE 57 N -0.35 0.63 0.00 2.99 2.04 -1.98 0.16 117.51 120.99 1jsi h ILE 57 Ca -0.45 -0.14 -0.08 0.00 1.00 0.00 0.00 64.86 65.19 1jsi h ILE 57 Cb 1.23 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 1jsi h ILE 57 CO 0.62 0.07 -0.37 1.05 0.00 0.00 0.00 178.15 179.53 1jsi h GLU 58 N 0.41 0.00 -0.64 2.37 9.09 -1.93 -0.58 114.58 123.30 1jsi h GLU 58 Ca 0.42 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.74 1jsi h GLU 58 Cb 0.65 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.73 1jsi h GLU 58 CO -0.43 0.37 0.08 0.78 0.05 0.00 0.00 179.01 179.86 1jsi h GLY 59 N 1.87 1.16 0.72 1.06 0.00 -0.92 -0.26 103.07 106.71 1jsi h GLY 59 Ca -0.00 -0.80 -0.02 0.00 0.00 0.00 0.00 47.33 46.51 1jsi h GLY 59 CO 0.05 0.74 -0.16 -2.00 0.00 0.00 0.00 176.54 175.17 1jsi h LEU 60 N 0.99 -0.38 -0.53 3.11 6.46 -0.74 0.12 115.31 124.34 1jsi h LEU 60 Ca 0.19 -0.14 0.09 0.00 -0.12 0.00 0.00 57.88 57.90 1jsi h LEU 60 Cb 0.47 0.10 -0.07 0.00 -0.73 0.00 0.00 40.66 40.43 1jsi h LEU 60 CO 0.02 -0.05 0.15 0.40 -0.62 0.00 0.00 178.44 178.33 1jsi h ILE 61 N -0.73 0.74 -0.00 4.05 2.04 -0.95 -1.11 117.51 121.56 1jsi h ILE 61 Ca -0.05 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1jsi h ILE 61 Cb 0.49 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 1jsi h ILE 61 CO 0.07 0.05 -0.04 -1.22 0.00 0.00 0.00 178.15 177.02 1jsi n TYR 62 N -5.07 0.00 -2.79 1.37 4.02 -0.12 -4.81 117.16 109.75 1jsi n TYR 62 Ca 0.06 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.86 1jsi n TYR 62 Cb 0.25 -0.26 0.04 0.00 -0.02 0.00 0.00 39.34 39.35 1jsi n TYR 62 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1jsi n GLY 63 N 1.29 0.13 3.64 2.72 0.00 -0.42 -2.57 105.19 109.98 1jsi n GLY 63 Ca 0.14 -0.22 -0.47 0.00 0.00 0.00 0.00 46.02 45.48 1jsi n GLY 63 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1jsi n ASN 64 N -1.50 2.45 0.08 1.61 2.85 0.32 -0.51 115.26 120.57 1jsi n ASN 64 Ca -0.09 1.12 0.04 0.00 -0.11 0.00 0.00 54.58 55.55 1jsi n ASN 64 Cb 0.56 -1.36 0.20 0.00 1.24 0.00 0.00 39.78 40.42 1jsi n ASN 64 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1jsi n PRO 65 N 2.39 0.05 -0.09 1.20 -0.04 -1.26 -0.64 135.00 136.61 1jsi n PRO 65 Ca 0.14 0.46 0.12 0.00 -0.04 0.00 0.00 63.50 64.18 1jsi n PRO 65 Cb 0.28 -1.87 0.31 0.00 -0.04 0.00 0.00 33.50 32.17 1jsi n PRO 65 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1jsi n SER 66 N -1.71 2.38 -0.75 3.54 7.64 -1.26 -4.19 113.62 119.26 1jsi n SER 66 Ca -0.00 -1.81 0.04 0.00 1.01 0.00 0.00 58.87 58.10 1jsi n SER 66 Cb 0.22 -0.12 0.20 0.00 -1.01 0.00 0.00 64.21 63.51 1jsi n SER 66 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jsi h ASP 68 N 0.96 0.26 -0.08 0.00 5.19 -1.73 0.20 116.42 121.22 1jsi h ASP 68 Ca 0.08 0.03 0.02 0.00 -0.62 0.00 0.00 57.03 56.54 1jsi h ASP 68 Cb 1.33 -0.02 -0.00 0.00 0.18 0.00 0.00 39.33 40.83 1jsi h ASP 68 CO 0.19 0.10 0.21 -0.07 -3.12 0.00 0.00 179.24 176.54 1jsi h LEU 69 N 0.26 0.00 -0.64 1.55 3.38 -1.95 -1.05 115.31 116.86 1jsi h LEU 69 Ca 0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.43 1jsi h LEU 69 Cb 1.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1jsi h LEU 69 CO -0.13 0.00 -0.45 0.18 0.09 0.00 0.00 178.44 178.13 1jsi n LEU 70 N -3.28 1.44 0.11 1.67 4.77 0.06 -4.42 117.00 117.35 1jsi n LEU 70 Ca -0.01 -0.49 0.17 0.00 -0.03 0.00 0.00 56.01 55.65 1jsi n LEU 70 Cb 0.29 -0.06 0.72 0.00 -2.33 0.00 0.00 43.42 42.04 1jsi n LEU 70 CO 0.20 0.28 1.15 -0.07 -1.33 0.00 0.00 177.39 177.62 1jsi h LEU 71 N 1.56 0.00 0.00 2.23 3.38 -1.29 -2.07 115.31 119.12 1jsi h LEU 71 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jsi h LEU 71 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1jsi h LEU 71 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1jsi n GLY 72 N -1.56 -1.15 0.00 0.83 0.00 -1.26 -4.65 105.19 97.41 1jsi n GLY 72 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1jsi n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jsi n GLY 73 N 0.87 -0.24 3.35 -0.02 0.00 -0.78 -4.89 105.19 103.47 1jsi n GLY 73 Ca 0.11 -1.57 -0.15 0.00 0.00 0.00 0.00 46.02 44.41 1jsi n GLY 73 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jsi s ARG 74 N -3.72 1.66 -0.04 1.61 1.81 -1.22 -5.01 118.95 114.05 1jsi s ARG 74 Ca 0.00 -1.79 -0.05 0.00 -1.72 0.00 0.00 55.73 52.17 1jsi s ARG 74 Cb 0.00 0.36 0.01 0.00 -0.45 0.00 0.00 34.95 34.87 1jsi s ARG 74 CO 0.00 -0.63 0.13 -1.83 -0.68 0.00 0.00 175.30 172.29 1jsi s GLU 75 N -3.53 0.23 0.17 3.54 -1.05 -1.26 -2.57 118.70 114.23 1jsi s GLU 75 Ca 0.36 0.05 -0.11 0.00 -0.15 0.00 0.00 54.97 55.12 1jsi s GLU 75 Cb 0.02 0.11 -0.00 0.00 -0.44 0.00 0.00 34.13 33.82 1jsi s GLU 75 CO 0.20 -0.04 0.34 1.67 0.95 0.00 0.00 175.26 178.38 1jsi s TRP 76 N -0.27 0.30 -0.17 4.83 -2.14 0.01 -4.78 118.94 116.72 1jsi s TRP 76 Ca -0.04 -0.66 -0.10 0.00 2.66 0.00 0.00 56.10 57.97 1jsi s TRP 76 Cb -0.03 0.04 -0.22 0.00 -3.10 0.00 0.00 33.47 30.16 1jsi s TRP 76 CO 0.00 -0.77 0.19 -1.13 -2.66 0.00 0.00 176.95 172.59 1jsi n SER 77 N -0.25 2.03 -3.98 -2.66 3.41 -0.88 -4.65 113.62 106.64 1jsi n SER 77 Ca -0.08 0.22 -0.09 0.00 -0.26 0.00 0.00 58.87 58.66 1jsi n SER 77 Cb 0.63 -0.82 -0.06 0.00 -0.26 0.00 0.00 64.21 63.70 1jsi n SER 77 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1jsi s TYR 78 N -2.50 0.35 0.04 7.33 -0.85 -1.26 -0.32 117.35 120.13 1jsi s TYR 78 Ca -0.27 -0.71 0.05 0.00 -0.52 0.00 0.00 57.07 55.63 1jsi s TYR 78 Cb 0.07 0.15 -0.03 0.00 0.38 0.00 0.00 41.96 42.53 1jsi s TYR 78 CO 0.68 -0.94 -0.11 0.42 -1.52 0.00 0.00 175.55 174.08 1jsi s ILE 79 N -4.00 3.34 -0.11 -3.49 1.01 -0.75 -0.60 121.20 116.61 1jsi s ILE 79 Ca 0.21 -1.01 -0.00 0.00 0.00 0.00 0.00 60.65 59.85 1jsi s ILE 79 Cb 0.00 -2.47 0.02 0.00 0.01 0.00 0.00 42.46 40.02 1jsi s ILE 79 CO 0.07 0.31 -0.08 -0.69 0.00 0.00 0.00 174.94 174.55 1jsi s VAL 80 N -1.03 1.02 -0.41 2.92 1.01 -0.13 -0.75 120.40 123.02 1jsi s VAL 80 Ca 0.18 -0.30 -0.09 0.00 0.00 0.00 0.00 61.98 61.77 1jsi s VAL 80 Cb -0.11 -1.03 0.08 0.00 0.00 0.00 0.00 36.38 35.32 1jsi s VAL 80 CO 0.08 0.36 0.25 -1.61 0.00 0.00 0.00 175.10 174.19 1jsi s GLU 81 N 1.58 2.58 0.70 2.72 2.02 0.20 0.23 118.70 128.73 1jsi s GLU 81 Ca 0.02 -1.46 -0.15 0.00 0.02 0.00 0.00 54.97 53.40 1jsi s GLU 81 Cb -0.13 -3.76 0.02 0.00 0.10 0.00 0.00 34.13 30.36 1jsi s GLU 81 CO -0.07 -0.94 1.16 1.03 0.02 0.00 0.00 175.26 176.46 1jsi s ARG 82 N 1.41 2.45 0.17 1.61 3.00 -0.07 -3.34 118.95 124.18 1jsi s ARG 82 Ca 0.03 1.59 0.18 0.00 0.00 0.00 0.00 55.73 57.53 1jsi s ARG 82 Cb -0.23 -1.89 0.80 0.00 0.00 0.00 0.00 34.95 33.63 1jsi s ARG 82 CO 0.02 -1.56 1.54 -0.35 0.00 0.00 0.00 175.30 174.95 1jsi n PRO 83 N -2.55 0.11 0.06 3.54 -0.04 -1.26 -1.37 135.00 133.48 1jsi n PRO 83 Ca 0.12 0.44 0.13 0.00 -0.04 0.00 0.00 63.50 64.15 1jsi n PRO 83 Cb 0.51 -1.75 0.38 0.00 -0.04 0.00 0.00 33.50 32.61 1jsi n PRO 83 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1jsi n SER 84 N -1.96 0.59 -4.59 3.54 3.41 -1.26 -4.74 113.62 108.62 1jsi n SER 84 Ca 0.01 0.39 -0.42 0.00 -0.26 0.00 0.00 58.87 58.59 1jsi n SER 84 Cb 0.14 -0.43 -0.03 0.00 -0.26 0.00 0.00 64.21 63.64 1jsi n SER 84 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jsi s ALA 85 N -3.09 2.72 0.00 7.33 0.00 -0.47 -4.50 121.76 123.75 1jsi s ALA 85 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.03 1jsi s ALA 85 Cb 0.14 -4.07 0.00 0.00 0.00 0.00 0.00 23.12 19.19 1jsi s ALA 85 CO 0.62 -2.91 0.24 1.33 0.00 0.00 0.00 175.76 175.04 1jsi n VAL 86 N 7.31 0.00 -2.93 0.00 0.24 -0.81 -4.65 118.33 117.48 1jsi n VAL 86 Ca 0.21 -0.30 -0.44 0.00 -2.04 0.00 0.00 64.34 61.77 1jsi n VAL 86 Cb 0.48 1.32 -0.04 0.00 -1.47 0.00 0.00 33.84 34.13 1jsi n VAL 86 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1jsi s ASN 87 N -0.12 6.23 0.00 -1.34 0.02 -0.18 -4.85 114.94 114.70 1jsi s ASN 87 Ca 0.00 -1.23 0.00 0.00 -1.02 0.00 0.00 52.86 50.61 1jsi s ASN 87 Cb 0.00 -2.39 0.00 0.00 0.02 0.00 0.00 41.25 38.88 1jsi s ASN 87 CO 0.00 -1.32 0.00 0.61 0.02 0.00 0.00 177.10 176.41 1jsi n GLY 88 N 5.33 1.11 3.38 0.66 0.00 -1.26 -1.87 105.19 112.53 1jsi n GLY 88 Ca -0.02 -0.01 -0.45 0.00 0.00 0.00 0.00 46.02 45.54 1jsi n GLY 88 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jsi s MET 89 N 1.15 3.13 0.16 1.61 -1.94 -1.26 -4.25 119.30 117.90 1jsi s MET 89 Ca 0.00 -1.44 -0.14 0.00 -1.71 0.00 0.00 55.69 52.40 1jsi s MET 89 Cb 0.00 -4.33 0.04 0.00 2.01 0.00 0.00 34.83 32.55 1jsi s MET 89 CO 0.00 -1.55 1.72 0.00 -0.01 0.00 0.00 175.02 175.18 1jsi s TYR 91 N -5.62 3.51 0.01 0.00 5.04 -1.26 -4.68 117.35 114.34 1jsi s TYR 91 Ca -0.13 1.34 -0.39 0.00 -2.44 0.00 0.00 57.07 55.45 1jsi s TYR 91 Cb 0.12 -2.98 -0.19 0.00 0.35 0.00 0.00 41.96 39.25 1jsi s TYR 91 CO 0.77 -0.11 1.17 -2.30 -1.34 0.00 0.00 175.55 173.74 1jsi n PRO 92 N 4.60 0.35 0.00 4.97 -0.02 -1.26 -4.75 135.00 138.88 1jsi n PRO 92 Ca 0.03 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 1jsi n PRO 92 Cb 0.50 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 1jsi n PRO 92 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jsi n GLY 93 N 1.90 2.33 3.32 -1.23 0.00 -1.26 -0.83 105.19 109.43 1jsi n GLY 93 Ca 0.20 -1.18 -0.23 0.00 0.00 0.00 0.00 46.02 44.81 1jsi n GLY 93 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jsi s ASN 94 N 0.00 2.69 -0.22 1.61 -0.87 -1.24 -4.93 114.94 111.98 1jsi s ASN 94 Ca 0.00 -0.79 -0.17 0.00 -1.57 0.00 0.00 52.86 50.33 1jsi s ASN 94 Cb 0.00 -0.16 -0.03 0.00 -0.02 0.00 0.00 41.25 41.04 1jsi s ASN 94 CO 0.00 0.02 0.46 -0.69 -2.57 0.00 0.00 177.10 174.32 1jsi s VAL 95 N -1.65 5.14 0.21 1.60 1.01 -1.26 -1.23 120.40 124.21 1jsi s VAL 95 Ca 0.12 0.81 -0.30 0.00 0.00 0.00 0.00 61.98 62.61 1jsi s VAL 95 Cb -0.08 -3.78 -0.09 0.00 0.00 0.00 0.00 36.38 32.43 1jsi s VAL 95 CO 0.06 0.18 1.28 -0.70 0.00 0.00 0.00 175.10 175.92 1jsi s GLU 96 N 1.72 4.41 -1.35 2.72 2.12 -0.78 -3.21 118.70 124.34 1jsi s GLU 96 Ca 0.21 2.02 -0.03 0.00 0.36 0.00 0.00 54.97 57.52 1jsi s GLU 96 Cb -0.15 -3.19 0.02 0.00 0.26 0.00 0.00 34.13 31.06 1jsi s GLU 96 CO 0.09 -0.20 0.80 0.09 -0.54 0.00 0.00 175.26 175.50 1jsi n ASN 97 N 2.43 -2.19 -0.19 -1.70 3.02 -1.26 -4.77 115.26 110.60 1jsi n ASN 97 Ca 0.05 -0.79 -0.04 0.00 -0.03 0.00 0.00 54.58 53.78 1jsi n ASN 97 Cb 0.43 -4.12 0.06 0.00 -0.61 0.00 0.00 39.78 35.54 1jsi n ASN 97 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1jsi h LEU 98 N -1.95 0.45 -0.47 3.41 5.85 -1.98 -1.48 115.31 119.14 1jsi h LEU 98 Ca -0.60 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.17 1jsi h LEU 98 Cb 1.36 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.29 1jsi h LEU 98 CO 0.58 0.31 0.26 -0.33 -0.34 0.00 0.00 178.44 178.92 1jsi h GLU 99 N 0.58 0.49 -0.71 1.25 3.07 -1.91 0.04 114.58 117.41 1jsi h GLU 99 Ca 0.24 -0.03 -0.06 0.00 -0.50 0.00 0.00 59.36 59.02 1jsi h GLU 99 Cb 0.12 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 27.89 1jsi h GLU 99 CO -0.15 0.33 0.23 0.93 -1.40 0.00 0.00 179.01 178.94 1jsi h GLU 100 N 0.51 1.10 0.24 2.33 4.39 -1.85 -0.50 114.58 120.79 1jsi h GLU 100 Ca 0.20 -0.23 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 1jsi h GLU 100 Cb 0.07 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.56 1jsi h GLU 100 CO -0.12 0.94 -0.11 1.25 -1.16 0.00 0.00 179.01 179.81 1jsi h LEU 101 N 1.04 -0.27 -1.49 1.33 5.85 -0.75 0.29 115.31 121.31 1jsi h LEU 101 Ca 0.23 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 1jsi h LEU 101 Cb 0.29 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1jsi h LEU 101 CO -0.01 -0.12 0.29 0.03 -0.34 0.00 0.00 178.44 178.29 1jsi h ARG 102 N -0.41 0.63 -0.09 1.25 3.08 -0.91 -0.10 114.38 117.83 1jsi h ARG 102 Ca -0.03 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 59.91 1jsi h ARG 102 Cb 0.31 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 1jsi h ARG 102 CO 0.05 0.44 -0.16 1.03 -1.07 0.00 0.00 179.97 180.26 1jsi h SER 103 N 0.64 0.31 -0.50 7.04 0.87 -0.78 -1.69 113.55 119.44 1jsi h SER 103 Ca 0.17 -0.55 0.03 0.00 -1.23 0.00 0.00 61.79 60.21 1jsi h SER 103 Cb -0.03 -0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 61.80 1jsi h SER 103 CO -0.03 0.80 0.28 0.25 -0.53 0.00 0.00 176.83 177.60 1jsi h LEU 104 N -0.17 0.44 0.36 2.23 5.85 0.03 -1.87 115.31 122.18 1jsi h LEU 104 Ca 0.01 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1jsi h LEU 104 Cb 0.74 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.69 1jsi h LEU 104 CO 0.04 0.31 -0.17 0.15 -0.34 0.00 0.00 178.44 178.43 1jsi h PHE 105 N 0.56 -0.44 0.00 1.25 3.57 -1.04 -3.00 116.94 117.84 1jsi h PHE 105 Ca 0.21 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.69 1jsi h PHE 105 Cb 0.06 0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.94 1jsi h PHE 105 CO -0.08 -0.21 -0.02 0.66 -2.23 0.00 0.00 178.31 176.44 1jsi h SER 106 N -0.59 0.00 0.84 0.41 4.64 -1.14 -2.11 113.55 115.60 1jsi h SER 106 Ca -0.05 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.17 1jsi h SER 106 Cb 0.43 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.51 1jsi h SER 106 CO 0.08 0.02 -0.50 0.28 -0.87 0.00 0.00 176.83 175.84 1jsi h SER 107 N 0.00 0.00 -4.13 4.97 0.02 -1.19 -3.33 113.55 109.88 1jsi h SER 107 Ca -0.00 0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.49 1jsi h SER 107 Cb 0.09 0.00 0.14 0.00 0.14 0.00 0.00 62.40 62.77 1jsi h SER 107 CO 0.00 0.50 0.28 0.00 -1.14 0.00 0.00 176.83 176.48 1jsi s ALA 108 N -3.49 1.61 -0.50 3.77 0.00 -0.79 -1.45 121.76 120.91 1jsi s ALA 108 Ca 0.00 -0.58 0.05 0.00 0.00 0.00 0.00 51.96 51.43 1jsi s ALA 108 Cb 0.11 -3.02 0.08 0.00 0.00 0.00 0.00 23.12 20.30 1jsi s ALA 108 CO 0.72 -2.46 0.87 -1.13 0.00 0.00 0.00 175.76 173.77 1jsi n SER 109 N -3.89 1.87 -3.59 0.00 3.41 0.80 -3.56 113.62 108.65 1jsi n SER 109 Ca 0.07 -1.58 -0.05 0.00 -0.26 0.00 0.00 58.87 57.06 1jsi n SER 109 Cb 0.59 -0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 64.47 1jsi n SER 109 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1jsi s SER 110 N -0.68 -0.15 0.02 4.04 1.04 -1.09 -0.81 113.70 116.06 1jsi s SER 110 Ca 0.08 0.01 -0.04 0.00 0.48 0.00 0.00 55.95 56.48 1jsi s SER 110 Cb 0.05 0.16 -0.01 0.00 0.10 0.00 0.00 66.02 66.31 1jsi s SER 110 CO 0.06 -0.25 0.06 -0.72 0.98 0.00 0.00 173.24 173.37 1jsi s TYR 111 N -2.40 0.17 -0.09 5.02 1.13 -1.06 -1.63 117.35 118.49 1jsi s TYR 111 Ca 0.09 -0.38 -0.04 0.00 -1.41 0.00 0.00 57.07 55.34 1jsi s TYR 111 Cb -0.01 -0.13 0.05 0.00 -1.10 0.00 0.00 41.96 40.77 1jsi s TYR 111 CO -0.05 -0.26 0.18 -1.14 -2.51 0.00 0.00 175.55 171.77 1jsi s GLN 112 N -1.64 0.09 0.66 -3.49 0.74 -0.80 -3.38 119.66 111.84 1jsi s GLN 112 Ca -0.14 0.52 -0.15 0.00 0.05 0.00 0.00 55.36 55.64 1jsi s GLN 112 Cb -0.07 -0.19 0.00 0.00 1.10 0.00 0.00 33.01 33.84 1jsi s GLN 112 CO -0.01 -0.24 1.12 1.03 -0.55 0.00 0.00 175.29 176.64 1jsi s ARG 113 N 1.81 2.77 -0.12 1.67 0.52 -1.26 -0.88 118.95 123.46 1jsi s ARG 113 Ca -0.03 1.43 -0.07 0.00 -0.52 0.00 0.00 55.73 56.54 1jsi s ARG 113 Cb -0.12 -1.94 0.05 0.00 0.52 0.00 0.00 34.95 33.46 1jsi s ARG 113 CO -0.06 -1.28 0.29 -1.50 0.02 0.00 0.00 175.30 172.76 1jsi s ILE 114 N -2.29 -0.03 0.10 1.52 2.07 0.42 -4.87 121.20 118.12 1jsi s ILE 114 Ca 0.68 0.12 -0.30 0.00 -1.41 0.00 0.00 60.65 59.73 1jsi s ILE 114 Cb -0.21 -0.44 -0.06 0.00 0.13 0.00 0.00 42.46 41.88 1jsi s ILE 114 CO 0.41 0.05 1.18 -1.58 -1.91 0.00 0.00 174.94 173.09 1jsi s GLN 115 N 1.19 4.47 -0.24 3.50 0.74 -1.26 -0.04 119.66 128.02 1jsi s GLN 115 Ca -0.09 1.78 -0.15 0.00 0.05 0.00 0.00 55.36 56.95 1jsi s GLN 115 Cb -0.09 -3.32 -0.09 0.00 1.10 0.00 0.00 33.01 30.60 1jsi s GLN 115 CO -0.09 -0.18 -0.35 -0.89 -0.55 0.00 0.00 175.29 173.24 1jsi n ILE 116 N 3.45 1.50 -4.05 -2.34 5.41 0.18 -4.90 119.36 118.61 1jsi n ILE 116 Ca 0.07 -0.18 -0.32 0.00 1.00 0.00 0.00 62.75 63.33 1jsi n ILE 116 Cb 0.46 -2.05 -0.15 0.00 -0.71 0.00 0.00 39.64 37.19 1jsi n ILE 116 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1jsi s PHE 117 N -2.65 3.05 0.38 1.39 2.99 -1.17 -4.85 117.98 117.12 1jsi s PHE 117 Ca -0.34 -2.15 -0.27 0.00 0.00 0.00 0.00 56.93 54.17 1jsi s PHE 117 Cb 0.11 -1.86 -0.09 0.00 0.00 0.00 0.00 43.02 41.17 1jsi s PHE 117 CO 0.46 -0.85 1.29 -1.25 -0.00 0.00 0.00 175.22 174.86 1jsi s PRO 118 N 1.18 4.10 0.45 0.24 0.04 -1.26 -4.78 135.00 134.97 1jsi s PRO 118 Ca -0.07 2.14 0.21 0.00 0.04 0.00 0.00 61.00 63.32 1jsi s PRO 118 Cb -0.19 -2.85 1.19 0.00 0.04 0.00 0.00 34.50 32.69 1jsi s PRO 118 CO -0.06 -0.37 1.85 -0.44 0.04 0.00 0.00 177.00 178.02 1jsi h ASP 119 N 2.90 0.31 -0.47 6.66 3.45 -1.99 -2.24 116.42 125.05 1jsi h ASP 119 Ca -0.49 0.04 0.02 0.00 0.43 0.00 0.00 57.03 57.03 1jsi h ASP 119 Cb 1.24 -0.02 -0.02 0.00 -0.56 0.00 0.00 39.33 39.97 1jsi h ASP 119 CO 0.63 0.11 0.31 0.71 -1.57 0.00 0.00 179.24 179.43 1jsi h THR 120 N 0.30 1.07 -0.01 0.35 1.35 -2.01 -2.96 112.91 111.00 1jsi h THR 120 Ca 0.48 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 66.15 1jsi h THR 120 Cb 1.36 0.47 -0.00 0.00 -1.73 0.00 0.00 68.15 68.25 1jsi h THR 120 CO -0.15 0.10 0.01 -0.29 -0.25 0.00 0.00 175.52 174.94 1jsi h ILE 121 N 0.55 0.68 -4.08 6.82 6.09 -1.78 -3.44 117.51 122.36 1jsi h ILE 121 Ca 0.18 0.00 -0.47 0.00 -1.37 0.00 0.00 64.86 63.20 1jsi h ILE 121 Cb 0.06 0.99 0.03 0.00 0.47 0.00 0.00 36.82 38.37 1jsi h ILE 121 CO -0.04 0.00 0.38 0.26 -3.07 0.00 0.00 178.15 175.68 1jsi s TRP 122 N -4.78 3.00 -0.17 2.19 0.52 -1.12 -4.95 118.94 113.63 1jsi s TRP 122 Ca -0.05 1.58 0.17 0.00 0.02 0.00 0.00 56.10 57.81 1jsi s TRP 122 Cb 0.16 -3.06 0.49 0.00 -1.15 0.00 0.00 33.47 29.91 1jsi s TRP 122 CO 0.59 -0.82 1.38 0.09 0.02 0.00 0.00 176.95 178.20 1jsi n ASN 123 N -0.99 3.56 -3.92 2.95 3.02 -1.26 -4.99 115.26 113.63 1jsi n ASN 123 Ca 0.09 -3.06 -0.15 0.00 -0.03 0.00 0.00 54.58 51.43 1jsi n ASN 123 Cb 0.53 -0.53 -0.09 0.00 -0.61 0.00 0.00 39.78 39.07 1jsi n ASN 123 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1jsi s VAL 124 N -2.86 0.03 0.51 2.41 -7.23 -1.26 -4.79 120.40 107.21 1jsi s VAL 124 Ca 0.41 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 58.36 1jsi s VAL 124 Cb 0.33 -2.50 -0.06 0.00 0.56 0.00 0.00 36.38 34.71 1jsi s VAL 124 CO 0.07 0.00 1.24 -0.55 -0.31 0.00 0.00 175.10 175.56 1jsi s SER 125 N -3.24 5.69 0.00 4.85 0.15 0.06 -4.88 113.70 116.33 1jsi s SER 125 Ca 0.39 2.49 0.00 0.00 0.70 0.00 0.00 55.95 59.53 1jsi s SER 125 Cb 0.05 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 1jsi s SER 125 CO 0.17 -1.26 0.11 0.00 1.20 0.00 0.00 173.24 173.46 1jsi n TYR 126 N -0.85 0.00 -0.95 3.44 0.18 -1.26 -1.75 117.16 115.97 1jsi n TYR 126 Ca 0.09 0.00 0.04 0.00 1.88 0.00 0.00 57.90 59.91 1jsi n TYR 126 Cb 0.47 0.00 0.38 0.00 -0.38 0.00 0.00 39.34 39.81 1jsi n TYR 126 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 1jsi n SER 127 N -0.04 5.50 -4.56 9.48 3.41 -1.26 -3.90 113.62 122.26 1jsi n SER 127 Ca 0.00 -3.01 -0.39 0.00 -0.26 0.00 0.00 58.87 55.21 1jsi n SER 127 Cb 0.16 -0.70 0.03 0.00 -0.26 0.00 0.00 64.21 63.44 1jsi n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jsi n GLY 128 N 0.40 -0.73 1.77 5.00 0.00 -1.24 -5.00 105.19 105.40 1jsi n GLY 128 Ca 0.31 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 46.18 1jsi n GLY 128 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jsi n THR 129 N -1.24 0.00 -3.61 2.61 -2.24 -1.26 -4.58 114.28 103.96 1jsi n THR 129 Ca 0.12 -1.34 -0.15 0.00 -2.27 0.00 0.00 64.05 60.40 1jsi n THR 129 Cb 0.44 0.67 -0.06 0.00 -2.10 0.00 0.00 70.33 69.28 1jsi n THR 129 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1jsi s SER 130 N -2.29 -0.44 0.48 3.42 0.15 -0.44 -4.94 113.70 109.65 1jsi s SER 130 Ca 0.22 0.32 0.27 0.00 0.70 0.00 0.00 55.95 57.46 1jsi s SER 130 Cb 0.01 0.46 1.01 0.00 -1.71 0.00 0.00 66.02 65.80 1jsi s SER 130 CO 0.16 -0.62 1.86 0.77 1.20 0.00 0.00 173.24 176.61 1jsi h SER 131 N 3.12 0.00 0.94 5.45 4.64 -1.90 -0.56 113.55 125.24 1jsi h SER 131 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1jsi h SER 131 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1jsi h SER 131 CO 0.40 0.13 0.00 0.00 -0.87 0.00 0.00 176.83 176.49 1jsi h ALA 132 N 1.87 1.00 -1.64 5.18 0.00 -1.89 -3.16 119.26 120.62 1jsi h ALA 132 Ca -0.00 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.31 1jsi h ALA 132 Cb 0.70 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 18.07 1jsi h ALA 132 CO 0.02 0.00 -0.67 0.00 0.00 0.00 0.00 179.25 178.60 1jsi n SER 134 N -0.44 -5.32 -2.31 0.00 7.64 -1.19 -0.34 113.62 111.66 1jsi n SER 134 Ca 0.38 -0.65 -0.15 0.00 1.01 0.00 0.00 58.87 59.45 1jsi n SER 134 Cb 0.60 -4.24 -0.01 0.00 -1.01 0.00 0.00 64.21 59.55 1jsi n SER 134 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1jsi n ASP 135 N -2.83 -4.58 0.00 6.43 8.00 -0.27 -4.87 116.55 118.42 1jsi n ASP 135 Ca 0.02 0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.67 1jsi n ASP 135 Cb 0.54 -3.89 0.00 0.00 -0.02 0.00 0.00 41.12 37.75 1jsi n ASP 135 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1jsi n SER 136 N -1.75 0.00 -3.48 -2.24 2.88 0.54 -4.62 113.62 104.96 1jsi n SER 136 Ca -0.18 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.28 1jsi n SER 136 Cb 0.62 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 64.08 1jsi n SER 136 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 1jsi s PHE 137 N 1.34 -0.06 0.41 0.66 5.36 -1.25 -1.33 117.98 123.11 1jsi s PHE 137 Ca 0.00 -0.48 -0.27 0.00 -0.96 0.00 0.00 56.93 55.23 1jsi s PHE 137 Cb 0.00 0.76 -0.09 0.00 -0.34 0.00 0.00 43.02 43.35 1jsi s PHE 137 CO 0.00 -1.36 1.43 0.71 -1.46 0.00 0.00 175.22 174.54 1jsi s TYR 138 N -3.25 2.56 -1.24 10.12 2.02 -1.26 -4.09 117.35 122.21 1jsi s TYR 138 Ca 0.13 1.25 0.27 0.00 -0.37 0.00 0.00 57.07 58.35 1jsi s TYR 138 Cb -0.06 -3.93 0.95 0.00 -0.40 0.00 0.00 41.96 38.53 1jsi s TYR 138 CO 0.09 -2.83 1.71 0.54 -1.57 0.00 0.00 175.55 173.48 1jsi n ARG 139 N 0.12 0.26 0.06 -0.62 5.12 0.33 -3.65 116.66 118.28 1jsi n ARG 139 Ca 0.03 -0.10 0.11 0.00 -1.93 0.00 0.00 57.85 55.96 1jsi n ARG 139 Cb 0.41 -1.50 0.02 0.00 -1.16 0.00 0.00 32.46 30.23 1jsi n ARG 139 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1jsi n SER 140 N -1.28 0.65 -4.13 0.55 7.64 -1.06 -4.23 113.62 111.75 1jsi n SER 140 Ca 0.09 0.08 -0.10 0.00 1.01 0.00 0.00 58.87 59.95 1jsi n SER 140 Cb 0.32 0.68 -0.09 0.00 -1.01 0.00 0.00 64.21 64.10 1jsi n SER 140 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1jsi s MET 141 N -3.29 1.11 -0.11 1.43 -1.94 -1.24 0.11 119.30 115.36 1jsi s MET 141 Ca 0.01 -1.46 0.03 0.00 -1.71 0.00 0.00 55.69 52.55 1jsi s MET 141 Cb 0.12 0.29 0.01 0.00 2.01 0.00 0.00 34.83 37.26 1jsi s MET 141 CO 0.79 -0.36 -0.19 1.03 -0.01 0.00 0.00 175.02 176.28 1jsi s ARG 142 N -4.08 2.64 -0.96 2.03 1.81 0.38 -4.60 118.95 116.17 1jsi s ARG 142 Ca 0.29 -0.72 -0.24 0.00 -1.72 0.00 0.00 55.73 53.34 1jsi s ARG 142 Cb 0.06 -2.13 0.05 0.00 -0.45 0.00 0.00 34.95 32.48 1jsi s ARG 142 CO 0.06 0.02 1.41 -0.46 -0.68 0.00 0.00 175.30 175.65 1jsi s TRP 143 N 0.74 2.48 0.08 -0.53 -0.11 -1.25 -1.76 118.94 118.59 1jsi s TRP 143 Ca -0.10 -0.68 -0.31 0.00 1.22 0.00 0.00 56.10 56.23 1jsi s TRP 143 Cb -0.16 -4.68 -0.07 0.00 -1.50 0.00 0.00 33.47 27.06 1jsi s TRP 143 CO 0.01 -1.97 1.28 -0.51 -4.62 0.00 0.00 176.95 171.15 1jsi s LEU 144 N 5.12 4.37 0.13 5.86 1.43 -1.24 -3.64 118.68 130.71 1jsi s LEU 144 Ca 0.44 2.15 -0.02 0.00 -1.03 0.00 0.00 54.13 55.67 1jsi s LEU 144 Cb -0.02 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.58 1jsi s LEU 144 CO -0.05 -0.55 0.08 0.42 0.23 0.00 0.00 176.35 176.48 1jsi s THR 145 N 1.09 0.10 0.59 5.49 -4.23 -0.72 -4.74 115.64 113.22 1jsi s THR 145 Ca 0.61 -1.86 -0.20 0.00 -1.18 0.00 0.00 61.69 59.06 1jsi s THR 145 Cb -0.33 -2.02 -0.03 0.00 1.34 0.00 0.00 72.50 71.46 1jsi s THR 145 CO 0.30 -0.46 1.32 -1.58 -0.54 0.00 0.00 174.62 173.66 1jsi s GLN 146 N -4.04 2.88 -0.14 3.99 -0.44 0.76 -0.76 119.66 121.91 1jsi s GLN 146 Ca 0.23 2.12 -0.00 0.00 -2.50 0.00 0.00 55.36 55.21 1jsi s GLN 146 Cb 0.07 -2.06 0.03 0.00 -1.64 0.00 0.00 33.01 29.42 1jsi s GLN 146 CO 0.01 -1.36 -0.08 0.21 0.50 0.00 0.00 175.29 174.58 1jsi s LYS 147 N -3.14 1.63 -0.68 1.67 2.20 -0.56 -4.37 119.74 116.50 1jsi s LYS 147 Ca 0.77 -0.43 -0.04 0.00 -0.36 0.00 0.00 55.97 55.91 1jsi s LYS 147 Cb -0.38 -1.86 0.00 0.00 -1.51 0.00 0.00 37.83 34.08 1jsi s LYS 147 CO 0.43 -0.33 0.59 0.09 -0.36 0.00 0.00 175.35 175.77 1jsi n ASN 148 N 4.88 -4.17 -2.38 1.43 3.02 -1.26 -2.79 115.26 113.99 1jsi n ASN 148 Ca -0.13 -0.27 -0.16 0.00 -0.03 0.00 0.00 54.58 53.99 1jsi n ASN 148 Cb 0.49 -2.76 -0.01 0.00 -0.61 0.00 0.00 39.78 36.89 1jsi n ASN 148 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1jsi n ASN 149 N -0.76 -4.77 -3.94 6.41 3.02 -1.26 -4.95 115.26 109.01 1jsi n ASN 149 Ca 0.00 0.12 -0.14 0.00 -0.03 0.00 0.00 54.58 54.53 1jsi n ASN 149 Cb 0.53 -4.02 -0.14 0.00 -0.61 0.00 0.00 39.78 35.54 1jsi n ASN 149 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jsi s ALA 150 N -2.78 0.28 -0.42 5.41 0.00 -1.12 -4.99 121.76 118.14 1jsi s ALA 150 Ca 0.00 -0.21 0.04 0.00 0.00 0.00 0.00 51.96 51.79 1jsi s ALA 150 Cb 0.00 -0.05 0.17 0.00 0.00 0.00 0.00 23.12 23.25 1jsi s ALA 150 CO 0.00 0.04 0.37 0.98 0.00 0.00 0.00 175.76 177.15 1jsi n TYR 151 N 2.80 -1.17 -0.73 0.00 -0.00 -1.26 -1.50 117.16 115.30 1jsi n TYR 151 Ca -0.14 -3.16 -0.30 0.00 -0.00 0.00 0.00 57.90 54.31 1jsi n TYR 151 Cb 0.58 0.36 0.20 0.00 -0.00 0.00 0.00 39.34 40.48 1jsi n TYR 151 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.86 174.72 1jsi s PRO 152 N 0.12 0.19 0.13 2.98 0.02 -1.26 -4.89 135.00 132.29 1jsi s PRO 152 Ca 0.33 1.09 -0.31 0.00 0.02 0.00 0.00 61.00 62.12 1jsi s PRO 152 Cb 0.04 -1.67 -0.09 0.00 0.02 0.00 0.00 34.50 32.80 1jsi s PRO 152 CO -0.19 -3.05 1.46 0.42 -0.33 0.00 0.00 177.00 175.32 1jsi s ILE 153 N -2.62 3.02 -0.15 2.83 1.09 -1.26 -4.76 121.20 119.35 1jsi s ILE 153 Ca 0.67 0.73 -0.10 0.00 -1.10 0.00 0.00 60.65 60.86 1jsi s ILE 153 Cb -0.23 -3.47 -0.05 0.00 -1.06 0.00 0.00 42.46 37.66 1jsi s ILE 153 CO 0.61 0.06 0.17 -1.10 -0.10 0.00 0.00 174.94 174.58 1jsi s GLN 154 N 1.14 3.86 -0.28 2.79 -1.52 0.13 -4.94 119.66 120.84 1jsi s GLN 154 Ca 0.67 -0.10 -0.01 0.00 -1.95 0.00 0.00 55.36 53.97 1jsi s GLN 154 Cb -0.40 -3.31 0.13 0.00 -0.22 0.00 0.00 33.01 29.21 1jsi s GLN 154 CO 0.31 0.52 0.28 0.34 -0.25 0.00 0.00 175.29 176.49 1jsi s ASP 155 N -0.31 1.76 0.28 5.90 -1.08 -1.25 -0.81 116.67 121.16 1jsi s ASP 155 Ca 0.13 -0.73 0.10 0.00 -0.52 0.00 0.00 52.55 51.52 1jsi s ASP 155 Cb -0.12 0.45 -0.05 0.00 -1.46 0.00 0.00 42.92 41.75 1jsi s ASP 155 CO 0.02 -0.39 -0.02 0.00 0.52 0.00 0.00 175.17 175.31 1jsi s ALA 156 N 2.35 3.14 0.05 3.66 0.00 -0.42 -4.98 121.76 125.56 1jsi s ALA 156 Ca 0.09 -1.74 0.01 0.00 0.00 0.00 0.00 51.96 50.33 1jsi s ALA 156 Cb -0.14 -0.65 -0.03 0.00 0.00 0.00 0.00 23.12 22.30 1jsi s ALA 156 CO -0.31 0.22 -0.06 -0.65 0.00 0.00 0.00 175.76 174.96 1jsi s GLN 157 N -3.67 0.56 -0.21 0.00 -0.21 -1.26 -2.03 119.66 112.84 1jsi s GLN 157 Ca 0.32 -0.90 -0.15 0.00 0.02 0.00 0.00 55.36 54.66 1jsi s GLN 157 Cb -0.05 -0.15 0.06 0.00 1.00 0.00 0.00 33.01 33.87 1jsi s GLN 157 CO 0.19 0.00 0.54 -0.47 -2.12 0.00 0.00 175.29 173.43 1jsi s TYR 158 N -2.12 -0.73 -0.15 0.91 5.04 -0.82 -4.99 117.35 114.49 1jsi s TYR 158 Ca -0.05 1.59 0.01 0.00 -2.44 0.00 0.00 57.07 56.18 1jsi s TYR 158 Cb -0.05 0.35 0.00 0.00 0.35 0.00 0.00 41.96 42.61 1jsi s TYR 158 CO -0.02 -0.37 -0.17 0.99 -1.34 0.00 0.00 175.55 174.63 1jsi s THR 159 N 1.07 2.48 -0.48 4.34 2.01 -1.26 -0.06 115.64 123.74 1jsi s THR 159 Ca -0.06 -0.83 -0.28 0.00 0.31 0.00 0.00 61.69 60.83 1jsi s THR 159 Cb -0.06 -2.03 -0.01 0.00 0.01 0.00 0.00 72.50 70.40 1jsi s THR 159 CO -0.10 0.52 1.77 0.21 -0.69 0.00 0.00 174.62 176.33 1jsi s ASN 160 N 0.85 5.67 -0.06 3.53 3.84 -0.54 -4.77 114.94 123.46 1jsi s ASN 160 Ca -0.05 0.77 0.10 0.00 0.21 0.00 0.00 52.86 53.89 1jsi s ASN 160 Cb -0.15 -2.53 0.23 0.00 -0.55 0.00 0.00 41.25 38.24 1jsi s ASN 160 CO -0.01 -1.98 1.16 0.59 -2.79 0.00 0.00 177.10 174.07 1jsi n ASN 161 N 11.20 2.61 -0.05 -4.21 3.02 -1.26 -0.17 115.26 126.39 1jsi n ASN 161 Ca 0.21 -2.41 0.15 0.00 -0.03 0.00 0.00 54.58 52.49 1jsi n ASN 161 Cb 0.49 -0.24 0.74 0.00 -0.61 0.00 0.00 39.78 40.17 1jsi n ASN 161 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1jsi n ARG 162 N -0.47 0.66 -1.25 3.52 5.12 -1.26 -4.90 116.66 118.09 1jsi n ARG 162 Ca 0.10 -0.10 -0.09 0.00 -1.93 0.00 0.00 57.85 55.83 1jsi n ARG 162 Cb 0.49 -1.50 -0.04 0.00 -1.16 0.00 0.00 32.46 30.25 1jsi n ARG 162 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jsi n GLY 163 N 1.22 0.96 3.20 -0.13 0.00 -1.26 -4.96 105.19 104.21 1jsi n GLY 163 Ca 0.16 -0.24 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 1jsi n GLY 163 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jsi s LYS 164 N -2.46 0.59 0.37 1.61 1.02 -1.26 -4.92 119.74 114.69 1jsi s LYS 164 Ca 0.00 -0.19 -0.27 0.00 0.02 0.00 0.00 55.97 55.52 1jsi s LYS 164 Cb 0.00 0.26 -0.10 0.00 -0.52 0.00 0.00 37.83 37.47 1jsi s LYS 164 CO 0.00 -0.15 1.35 -1.12 -0.92 0.00 0.00 175.35 174.51 1jsi s SER 165 N -1.20 6.47 -0.18 2.83 0.01 -1.26 -4.35 113.70 116.01 1jsi s SER 165 Ca -0.13 2.77 0.00 0.00 1.31 0.00 0.00 55.95 59.90 1jsi s SER 165 Cb -0.06 -2.65 0.01 0.00 0.21 0.00 0.00 66.02 63.53 1jsi s SER 165 CO 0.03 -0.75 -0.16 -0.63 0.41 0.00 0.00 173.24 172.14 1jsi s ILE 166 N -1.18 2.41 -0.18 1.44 1.01 -0.18 -4.04 121.20 120.47 1jsi s ILE 166 Ca 0.53 -0.83 -0.26 0.00 0.00 0.00 0.00 60.65 60.09 1jsi s ILE 166 Cb -0.41 -2.03 -0.01 0.00 0.01 0.00 0.00 42.46 40.02 1jsi s ILE 166 CO 0.54 0.51 0.89 -0.22 0.00 0.00 0.00 174.94 176.66 1jsi s LEU 167 N 1.23 4.15 0.20 2.97 2.96 0.13 -0.47 118.68 129.85 1jsi s LEU 167 Ca 0.03 1.23 0.09 0.00 -0.22 0.00 0.00 54.13 55.26 1jsi s LEU 167 Cb -0.14 -3.32 -0.05 0.00 0.50 0.00 0.00 46.19 43.18 1jsi s LEU 167 CO -0.08 -0.47 -0.16 0.72 -1.32 0.00 0.00 176.35 175.03 1jsi s PHE 168 N 2.43 1.83 0.20 5.38 -0.12 -0.14 -0.39 117.98 127.18 1jsi s PHE 168 Ca 0.40 -0.50 0.06 0.00 -0.05 0.00 0.00 56.93 56.84 1jsi s PHE 168 Cb -0.16 -0.86 -0.05 0.00 -0.63 0.00 0.00 43.02 41.32 1jsi s PHE 168 CO 0.11 0.40 -0.10 -1.64 -0.05 0.00 0.00 175.22 173.94 1jsi s MET 169 N -3.35 1.27 0.14 1.99 -1.94 -1.26 -1.76 119.30 114.39 1jsi s MET 169 Ca 0.21 -1.58 -0.25 0.00 -1.71 0.00 0.00 55.69 52.36 1jsi s MET 169 Cb -0.03 -0.90 0.07 0.00 2.01 0.00 0.00 34.83 35.97 1jsi s MET 169 CO 0.08 0.10 0.97 1.67 -0.01 0.00 0.00 175.02 177.82 1jsi s TRP 170 N -3.15 -0.14 0.17 -0.03 -2.14 -0.98 -3.70 118.94 108.97 1jsi s TRP 170 Ca 0.22 -0.15 -0.08 0.00 2.66 0.00 0.00 56.10 58.75 1jsi s TRP 170 Cb 0.02 0.63 -0.01 0.00 -3.10 0.00 0.00 33.47 31.00 1jsi s TRP 170 CO 0.06 -0.79 0.26 0.20 -2.66 0.00 0.00 176.95 174.02 1jsi s GLY 171 N -2.92 0.59 -0.14 3.67 0.00 -0.38 -1.05 107.32 107.09 1jsi s GLY 171 Ca 0.12 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 43.85 1jsi s GLY 171 CO 0.01 -0.91 -0.11 -0.42 0.00 0.00 0.00 173.10 171.68 1jsi s ILE 172 N -3.99 1.35 0.17 0.90 -1.09 -0.16 -0.17 121.20 118.21 1jsi s ILE 172 Ca 0.19 -0.56 -0.29 0.00 -2.23 0.00 0.00 60.65 57.76 1jsi s ILE 172 Cb 0.04 -1.34 -0.07 0.00 -1.58 0.00 0.00 42.46 39.50 1jsi s ILE 172 CO 0.01 0.36 0.93 0.21 -1.23 0.00 0.00 174.94 175.22 1jsi s ASN 173 N 1.57 7.54 -0.50 3.58 2.47 0.63 -1.13 114.94 129.08 1jsi s ASN 173 Ca 0.04 1.83 0.03 0.00 0.42 0.00 0.00 52.86 55.18 1jsi s ASN 173 Cb -0.13 -2.58 0.14 0.00 -1.45 0.00 0.00 41.25 37.22 1jsi s ASN 173 CO -0.09 0.06 0.27 -1.00 -3.72 0.00 0.00 177.10 172.61 1jsi s HIS 174 N -0.59 2.74 0.69 0.43 3.76 0.13 -4.79 115.29 117.66 1jsi s HIS 174 Ca 0.43 -2.90 -0.17 0.00 -0.15 0.00 0.00 55.06 52.27 1jsi s HIS 174 Cb -0.24 -2.44 -0.01 0.00 1.11 0.00 0.00 32.58 31.00 1jsi s HIS 174 CO 0.30 -0.74 1.00 -2.30 -0.85 0.00 0.00 174.74 172.15 1jsi n PRO 175 N 3.17 0.64 0.10 8.40 -0.02 -1.26 -1.87 135.00 144.16 1jsi n PRO 175 Ca 0.08 0.27 0.13 0.00 -2.02 0.00 0.00 63.50 61.96 1jsi n PRO 175 Cb 0.33 -2.24 0.41 0.00 -0.02 0.00 0.00 33.50 31.98 1jsi n PRO 175 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1jsi n PRO 176 N -1.72 0.26 -3.92 0.52 -0.04 -1.26 -1.85 135.00 126.99 1jsi n PRO 176 Ca 0.14 0.21 -0.09 0.00 -0.04 0.00 0.00 63.50 63.72 1jsi n PRO 176 Cb 0.49 -1.80 -0.07 0.00 -0.04 0.00 0.00 33.50 32.07 1jsi n PRO 176 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1jsi s THR 177 N -3.10 0.11 0.33 0.52 -4.23 -1.26 -2.81 115.64 105.19 1jsi s THR 177 Ca 0.11 -1.33 0.09 0.00 -1.18 0.00 0.00 61.69 59.38 1jsi s THR 177 Cb 0.12 -1.60 0.06 0.00 1.34 0.00 0.00 72.50 72.43 1jsi s THR 177 CO 0.60 -0.50 1.75 0.44 -0.54 0.00 0.00 174.62 176.37 1jsi h ASP 178 N 2.68 0.14 -0.20 3.99 3.32 -1.95 -2.20 116.42 122.20 1jsi h ASP 178 Ca -0.33 -0.05 -0.06 0.00 0.02 0.00 0.00 57.03 56.61 1jsi h ASP 178 Cb 1.21 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 1jsi h ASP 178 CO 0.53 0.52 -0.10 0.71 -1.72 0.00 0.00 179.24 179.19 1jsi h THR 179 N 0.12 1.31 -0.80 0.35 1.35 -1.99 -1.30 112.91 111.95 1jsi h THR 179 Ca 0.01 -1.16 -0.03 0.00 -0.55 0.00 0.00 66.41 64.68 1jsi h THR 179 Cb 0.75 1.65 -0.04 0.00 -1.73 0.00 0.00 68.15 68.78 1jsi h THR 179 CO 0.06 0.35 0.39 0.58 -0.25 0.00 0.00 175.52 176.65 1jsi h VAL 180 N 0.11 1.25 0.55 6.82 2.07 -1.95 0.29 116.25 125.38 1jsi h VAL 180 Ca 0.04 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 1jsi h VAL 180 Cb 0.59 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1jsi h VAL 180 CO 0.03 0.30 -0.30 -0.61 0.02 0.00 0.00 177.57 177.01 1jsi h GLN 181 N 1.14 -0.75 -0.77 1.57 5.75 -1.20 -0.21 115.11 120.64 1jsi h GLN 181 Ca 0.28 0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.80 1jsi h GLN 181 Cb 0.11 0.17 -0.04 0.00 1.07 0.00 0.00 27.48 28.79 1jsi h GLN 181 CO -0.04 -0.50 0.35 1.79 -2.65 0.00 0.00 178.83 177.78 1jsi h THR 182 N -0.78 1.25 -0.77 2.39 1.35 -1.12 0.24 112.91 115.46 1jsi h THR 182 Ca -0.07 -0.72 0.10 0.00 -0.55 0.00 0.00 66.41 65.18 1jsi h THR 182 Cb 0.62 0.28 -0.05 0.00 -1.73 0.00 0.00 68.15 67.26 1jsi h THR 182 CO 0.10 0.30 0.51 -1.13 -0.25 0.00 0.00 175.52 175.04 1jsi h ASN 183 N 1.10 0.60 0.12 5.36 -0.73 -0.08 0.73 115.58 122.68 1jsi h ASN 183 Ca 0.26 0.02 -0.36 0.00 1.87 0.00 0.00 56.30 58.09 1jsi h ASN 183 Cb 0.14 -0.11 -0.06 0.00 0.27 0.00 0.00 38.32 38.57 1jsi h ASN 183 CO -0.03 0.35 -2.21 0.18 -0.37 0.00 0.00 177.43 175.35 1jsi n LEU 184 N -4.50 1.56 -0.02 0.34 4.77 -0.12 -4.67 117.00 114.36 1jsi n LEU 184 Ca 0.13 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1jsi n LEU 184 Cb 0.36 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1jsi n LEU 184 CO 0.32 0.68 0.28 -1.22 -1.33 0.00 0.00 177.39 176.12 1jsi n TYR 185 N -3.10 0.00 0.00 -1.77 4.02 0.03 -0.17 117.16 116.17 1jsi n TYR 185 Ca -0.33 -0.05 0.00 0.00 -0.01 0.00 0.00 57.90 57.50 1jsi n TYR 185 Cb 1.07 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 40.38 1jsi n TYR 185 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 1jsi n THR 186 N -0.03 0.00 -3.96 -0.72 -1.04 0.25 -4.68 114.28 104.10 1jsi n THR 186 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 1jsi n THR 186 Cb 0.04 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.45 1jsi n THR 186 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jsi s ARG 187 N 0.00 0.51 0.07 -2.82 1.70 -1.26 -4.87 118.95 112.29 1jsi s ARG 187 Ca 0.00 -0.74 0.23 0.00 -0.47 0.00 0.00 55.73 54.75 1jsi s ARG 187 Cb 0.00 0.20 0.01 0.00 -0.57 0.00 0.00 34.95 34.58 1jsi s ARG 187 CO 0.00 -0.12 0.98 0.25 -1.08 0.00 0.00 175.30 175.33 1jsi n THR 188 N 0.95 0.24 -3.82 4.99 -2.24 -1.26 -4.31 114.28 108.84 1jsi n THR 188 Ca -0.20 -0.33 -0.34 0.00 -2.27 0.00 0.00 64.05 60.91 1jsi n THR 188 Cb 0.58 0.07 -0.12 0.00 -2.10 0.00 0.00 70.33 68.76 1jsi n THR 188 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1jsi s ASP 189 N -4.26 4.96 0.39 3.42 2.15 -1.26 -4.90 116.67 117.17 1jsi s ASP 189 Ca 0.02 -2.67 0.08 0.00 0.43 0.00 0.00 52.55 50.41 1jsi s ASP 189 Cb 0.13 -1.77 -0.04 0.00 -0.30 0.00 0.00 42.92 40.94 1jsi s ASP 189 CO 0.81 -0.37 0.19 0.42 -0.17 0.00 0.00 175.17 176.05 1jsi s THR 190 N 0.21 2.60 -0.09 1.71 -4.23 -1.26 -5.05 115.64 109.52 1jsi s THR 190 Ca 0.15 -1.66 -0.04 0.00 -1.18 0.00 0.00 61.69 58.96 1jsi s THR 190 Cb -0.22 -2.98 0.05 0.00 1.34 0.00 0.00 72.50 70.69 1jsi s THR 190 CO -0.03 -0.07 0.18 -0.89 -0.54 0.00 0.00 174.62 173.27 1jsi s THR 191 N -2.52 -0.28 -0.02 3.99 2.01 -1.26 -4.43 115.64 113.13 1jsi s THR 191 Ca 0.41 0.33 0.05 0.00 0.31 0.00 0.00 61.69 62.79 1jsi s THR 191 Cb 0.01 -0.32 -0.03 0.00 0.01 0.00 0.00 72.50 72.17 1jsi s THR 191 CO 0.23 0.14 -0.16 -0.89 -0.69 0.00 0.00 174.62 173.25 1jsi s THR 192 N 2.26 2.91 -0.03 -0.82 2.01 -0.45 -3.24 115.64 118.29 1jsi s THR 192 Ca 0.02 -0.90 0.01 0.00 0.31 0.00 0.00 61.69 61.13 1jsi s THR 192 Cb -0.12 -2.16 0.01 0.00 0.01 0.00 0.00 72.50 70.24 1jsi s THR 192 CO -0.06 0.50 -0.03 -0.55 -0.69 0.00 0.00 174.62 173.79 1jsi s SER 193 N -0.98 0.65 -0.16 3.53 0.15 0.22 -0.29 113.70 116.83 1jsi s SER 193 Ca 0.13 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.70 1jsi s SER 193 Cb -0.11 -0.25 0.03 0.00 -1.71 0.00 0.00 66.02 63.98 1jsi s SER 193 CO 0.02 -0.03 -0.14 -0.69 1.20 0.00 0.00 173.24 173.60 1jsi s VAL 194 N 0.58 1.63 0.07 4.45 1.01 0.03 -1.03 120.40 127.14 1jsi s VAL 194 Ca -0.07 -0.72 -0.06 0.00 0.00 0.00 0.00 61.98 61.13 1jsi s VAL 194 Cb -0.10 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.71 1jsi s VAL 194 CO -0.00 0.42 0.11 0.42 0.00 0.00 0.00 175.10 176.05 1jsi s THR 195 N 1.45 0.17 0.00 3.92 -4.23 0.24 -1.61 115.64 115.58 1jsi s THR 195 Ca 0.04 -1.40 0.00 0.00 -1.18 0.00 0.00 61.69 59.15 1jsi s THR 195 Cb -0.13 -1.40 0.00 0.00 1.34 0.00 0.00 72.50 72.31 1jsi s THR 195 CO -0.11 -0.77 0.00 0.35 -0.54 0.00 0.00 174.62 173.55 1jsi n THR 196 N 0.01 0.00 0.20 3.99 -2.24 -0.79 0.09 114.28 115.54 1jsi n THR 196 Ca -0.15 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.71 1jsi n THR 196 Cb 0.62 0.00 0.34 0.00 -2.10 0.00 0.00 70.33 69.19 1jsi n THR 196 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1jsi h GLU 197 N 0.00 0.00 0.00 -0.78 3.07 -1.97 -3.38 114.58 111.51 1jsi h GLU 197 Ca 0.00 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.69 1jsi h GLU 197 Cb 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.88 1jsi h GLU 197 CO 0.00 0.29 -1.52 -0.25 -1.40 0.00 0.00 179.01 176.13 1jsi n ASP 198 N -3.37 1.86 -4.88 1.42 8.00 -1.26 -5.02 116.55 113.30 1jsi n ASP 198 Ca 0.01 0.32 -0.30 0.00 0.71 0.00 0.00 54.79 55.53 1jsi n ASP 198 Cb 0.51 -0.73 -0.02 0.00 -0.02 0.00 0.00 41.12 40.85 1jsi n ASP 198 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1jsi s ILE 199 N -2.70 4.81 -0.47 0.53 -4.36 -1.26 -5.05 121.20 112.70 1jsi s ILE 199 Ca -0.31 0.54 0.06 0.00 -0.26 0.00 0.00 60.65 60.69 1jsi s ILE 199 Cb 0.08 -3.76 0.18 0.00 1.25 0.00 0.00 42.46 40.21 1jsi s ILE 199 CO 0.42 -0.60 0.56 -3.20 0.24 0.00 0.00 174.94 172.36 1jsi n ASN 200 N -1.52 -2.07 -4.71 4.36 5.15 -1.26 -1.88 115.26 113.33 1jsi n ASN 200 Ca 0.02 -2.68 -0.34 0.00 -0.60 0.00 0.00 54.58 50.97 1jsi n ASN 200 Cb 0.54 0.69 -0.09 0.00 -0.53 0.00 0.00 39.78 40.40 1jsi n ASN 200 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1jsi s ARG 201 N 0.47 2.99 0.07 1.20 0.52 -0.63 -5.01 118.95 118.56 1jsi s ARG 201 Ca 0.31 -0.43 0.04 0.00 -0.52 0.00 0.00 55.73 55.14 1jsi s ARG 201 Cb 0.03 -2.81 -0.03 0.00 0.52 0.00 0.00 34.95 32.66 1jsi s ARG 201 CO -0.12 0.69 -0.13 0.95 0.02 0.00 0.00 175.30 176.71 1jsi s THR 202 N -0.97 0.98 0.02 0.02 -4.23 -1.26 -0.79 115.64 109.41 1jsi s THR 202 Ca 0.16 -1.29 -0.03 0.00 -1.18 0.00 0.00 61.69 59.35 1jsi s THR 202 Cb -0.11 -1.00 -0.02 0.00 1.34 0.00 0.00 72.50 72.71 1jsi s THR 202 CO 0.05 -0.29 0.03 -0.36 -0.54 0.00 0.00 174.62 173.52 1jsi s PHE 203 N -1.40 0.23 -0.00 3.99 0.40 0.60 -4.99 117.98 116.81 1jsi s PHE 203 Ca -0.03 -0.50 0.00 0.00 -0.60 0.00 0.00 56.93 55.80 1jsi s PHE 203 Cb -0.09 -0.17 0.00 0.00 0.51 0.00 0.00 43.02 43.27 1jsi s PHE 203 CO 0.02 -0.27 -0.01 0.15 0.70 0.00 0.00 175.22 175.81 1jsi s LYS 204 N -1.98 0.09 0.74 0.44 1.02 -1.26 -1.34 119.74 117.45 1jsi s LYS 204 Ca -0.11 -0.01 -0.11 0.00 0.02 0.00 0.00 55.97 55.76 1jsi s LYS 204 Cb -0.06 -0.12 0.04 0.00 -0.52 0.00 0.00 37.83 37.17 1jsi s LYS 204 CO -0.02 -0.00 1.08 -1.25 -0.92 0.00 0.00 175.35 174.23 1jsi s PRO 205 N 0.13 2.54 -0.34 -1.68 0.04 -1.26 -5.04 135.00 129.38 1jsi s PRO 205 Ca -0.01 1.04 -0.01 0.00 0.04 0.00 0.00 61.00 62.06 1jsi s PRO 205 Cb -0.02 -1.94 0.13 0.00 0.04 0.00 0.00 34.50 32.71 1jsi s PRO 205 CO -0.00 -1.41 0.20 0.08 0.04 0.00 0.00 177.00 175.90 1jsi s VAL 206 N -2.98 0.07 0.45 -0.36 1.01 -1.26 -4.98 120.40 112.34 1jsi s VAL 206 Ca 0.60 -1.45 -0.25 0.00 0.00 0.00 0.00 61.98 60.88 1jsi s VAL 206 Cb -0.16 -1.07 -0.08 0.00 0.00 0.00 0.00 36.38 35.08 1jsi s VAL 206 CO 0.56 -0.91 1.36 -0.63 0.00 0.00 0.00 175.10 175.47 1jsi s ILE 207 N 1.34 2.34 0.00 2.22 1.09 -1.26 -4.76 121.20 122.17 1jsi s ILE 207 Ca 0.16 0.29 0.00 0.00 -1.10 0.00 0.00 60.65 60.00 1jsi s ILE 207 Cb -0.21 -3.17 0.00 0.00 -1.06 0.00 0.00 42.46 38.02 1jsi s ILE 207 CO -0.09 0.03 0.00 0.61 -0.10 0.00 0.00 174.94 175.40 1jsi n GLY 208 N 0.62 3.78 3.67 6.18 0.00 -0.77 -4.94 105.19 113.73 1jsi n GLY 208 Ca 0.05 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 1jsi n GLY 208 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jsi s PRO 209 N -2.16 4.30 0.37 1.61 0.04 -1.12 -4.14 135.00 133.90 1jsi s PRO 209 Ca 0.00 1.24 0.05 0.00 0.04 0.00 0.00 61.00 62.32 1jsi s PRO 209 Cb 0.00 -3.60 -0.01 0.00 0.04 0.00 0.00 34.50 30.93 1jsi s PRO 209 CO 0.00 -0.46 0.53 1.03 0.04 0.00 0.00 177.00 178.14 1jsi s ARG 210 N 2.59 3.10 0.61 4.56 3.00 0.39 -5.05 118.95 128.15 1jsi s ARG 210 Ca 0.43 -0.85 -0.18 0.00 0.00 0.00 0.00 55.73 55.13 1jsi s ARG 210 Cb -0.16 -2.74 -0.06 0.00 0.00 0.00 0.00 34.95 31.99 1jsi s ARG 210 CO 0.11 -0.04 0.77 -2.30 0.00 0.00 0.00 175.30 173.84 1jsi n PRO 211 N -1.77 0.68 -1.87 3.54 -0.02 -1.26 -4.51 135.00 129.79 1jsi n PRO 211 Ca 0.00 0.27 -0.41 0.00 -2.02 0.00 0.00 63.50 61.34 1jsi n PRO 211 Cb 0.58 -1.97 -0.01 0.00 -0.02 0.00 0.00 33.50 32.08 1jsi n PRO 211 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1jsi s LEU 212 N -0.95 4.35 -0.18 2.45 1.43 -1.26 -4.68 118.68 119.83 1jsi s LEU 212 Ca 0.73 2.94 -0.12 0.00 -1.03 0.00 0.00 54.13 56.65 1jsi s LEU 212 Cb -0.42 -3.66 0.06 0.00 0.03 0.00 0.00 46.19 42.20 1jsi s LEU 212 CO 0.50 -0.81 0.46 -0.69 0.23 0.00 0.00 176.35 176.04 1jsi s VAL 213 N -0.86 -0.01 -1.67 -1.59 1.01 -0.54 -4.87 120.40 111.87 1jsi s VAL 213 Ca 0.54 0.05 -0.17 0.00 0.00 0.00 0.00 61.98 62.40 1jsi s VAL 213 Cb -0.45 -0.67 0.14 0.00 0.00 0.00 0.00 36.38 35.41 1jsi s VAL 213 CO 0.57 0.02 0.81 0.59 0.00 0.00 0.00 175.10 177.10 1jsi n ASN 214 N 3.83 -3.45 -1.47 3.32 3.02 -1.26 0.20 115.26 119.45 1jsi n ASN 214 Ca -0.20 -0.98 -0.19 0.00 -0.03 0.00 0.00 54.58 53.19 1jsi n ASN 214 Cb 0.56 -2.94 -0.07 0.00 -0.61 0.00 0.00 39.78 36.71 1jsi n ASN 214 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jsi n GLY 215 N -1.46 1.66 3.24 7.41 0.00 -1.26 -4.71 105.19 110.06 1jsi n GLY 215 Ca 0.06 -0.13 -0.19 0.00 0.00 0.00 0.00 46.02 45.76 1jsi n GLY 215 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jsi s LEU 216 N -4.29 2.37 -0.01 0.99 1.43 0.13 -5.03 118.68 114.27 1jsi s LEU 216 Ca 0.00 -0.76 0.14 0.00 -1.03 0.00 0.00 54.13 52.48 1jsi s LEU 216 Cb 0.00 -0.60 -0.18 0.00 0.03 0.00 0.00 46.19 45.44 1jsi s LEU 216 CO 0.00 -0.10 0.48 1.41 0.23 0.00 0.00 176.35 178.37 1jsi n HIS 217 N 0.73 0.00 -2.20 0.29 8.25 -1.26 -1.47 115.22 119.56 1jsi n HIS 217 Ca -0.17 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.02 1jsi n HIS 217 Cb 0.56 -0.14 0.16 0.00 1.12 0.00 0.00 29.99 31.69 1jsi n HIS 217 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1jsi s GLY 218 N -2.89 1.78 0.16 -1.41 0.00 -1.26 -0.46 107.32 103.24 1jsi s GLY 218 Ca 0.01 -1.47 -0.13 0.00 0.00 0.00 0.00 44.72 43.13 1jsi s GLY 218 CO 0.59 -0.76 0.37 0.50 0.00 0.00 0.00 173.10 173.80 1jsi s ARG 219 N -5.62 1.18 -0.08 2.90 1.81 -0.78 -4.76 118.95 113.61 1jsi s ARG 219 Ca 0.72 -0.98 -0.02 0.00 -1.72 0.00 0.00 55.73 53.74 1jsi s ARG 219 Cb -0.04 0.43 0.03 0.00 -0.45 0.00 0.00 34.95 34.93 1jsi s ARG 219 CO 0.50 -0.46 0.02 0.42 -0.68 0.00 0.00 175.30 175.10 1jsi s ILE 220 N -3.90 0.29 -0.14 1.52 1.01 -0.01 0.18 121.20 120.15 1jsi s ILE 220 Ca 0.11 0.12 -0.23 0.00 0.00 0.00 0.00 60.65 60.65 1jsi s ILE 220 Cb 0.02 -0.50 -0.03 0.00 0.01 0.00 0.00 42.46 41.96 1jsi s ILE 220 CO -0.04 0.20 0.73 -1.81 0.00 0.00 0.00 174.94 174.02 1jsi s ASP 221 N 2.01 6.90 -0.05 3.58 -0.00 -0.29 -3.63 116.67 125.18 1jsi s ASP 221 Ca 0.05 1.09 -0.06 0.00 -0.00 0.00 0.00 52.55 53.63 1jsi s ASP 221 Cb -0.13 -2.41 -0.04 0.00 -0.00 0.00 0.00 42.92 40.34 1jsi s ASP 221 CO -0.05 -0.26 0.19 -0.31 -0.00 0.00 0.00 175.17 174.74 1jsi s TYR 222 N 1.56 3.58 0.24 4.23 1.51 -0.37 -0.99 117.35 127.11 1jsi s TYR 222 Ca 0.36 0.49 0.01 0.00 -1.01 0.00 0.00 57.07 56.92 1jsi s TYR 222 Cb -0.17 -1.92 -0.04 0.00 -0.11 0.00 0.00 41.96 39.72 1jsi s TYR 222 CO 0.14 0.68 0.13 0.71 -1.11 0.00 0.00 175.55 176.10 1jsi s TYR 223 N -1.19 1.35 0.22 2.71 1.51 -0.21 -1.87 117.35 119.88 1jsi s TYR 223 Ca 0.22 -1.33 -0.22 0.00 -1.01 0.00 0.00 57.07 54.72 1jsi s TYR 223 Cb -0.13 -0.70 0.04 0.00 -0.11 0.00 0.00 41.96 41.06 1jsi s TYR 223 CO 0.12 -0.55 0.71 1.67 -1.11 0.00 0.00 175.55 176.39 1jsi s TRP 224 N -3.94 -0.31 0.09 2.71 1.48 -1.26 -2.31 118.94 115.41 1jsi s TRP 224 Ca 0.38 -0.05 -0.26 0.00 -1.06 0.00 0.00 56.10 55.12 1jsi s TRP 224 Cb 0.07 0.65 0.09 0.00 -1.16 0.00 0.00 33.47 33.11 1jsi s TRP 224 CO 0.14 -1.05 1.13 0.45 -4.06 0.00 0.00 176.95 173.56 1jsi s SER 225 N -2.85 -0.05 -0.23 -2.66 0.15 -0.72 -5.01 113.70 102.34 1jsi s SER 225 Ca 0.08 -0.40 0.02 0.00 0.70 0.00 0.00 55.95 56.34 1jsi s SER 225 Cb -0.04 0.35 0.05 0.00 -1.71 0.00 0.00 66.02 64.67 1jsi s SER 225 CO -0.01 -0.67 -0.11 -0.69 1.20 0.00 0.00 173.24 172.96 1jsi s VAL 226 N -2.45 1.89 -0.43 4.45 1.01 -1.26 -0.96 120.40 122.65 1jsi s VAL 226 Ca 0.19 -1.28 -0.28 0.00 0.00 0.00 0.00 61.98 60.61 1jsi s VAL 226 Cb -0.00 -1.97 0.03 0.00 0.00 0.00 0.00 36.38 34.43 1jsi s VAL 226 CO 0.01 0.10 1.08 -0.22 0.00 0.00 0.00 175.10 176.08 1jsi s LEU 227 N 1.27 3.77 0.63 3.92 2.96 0.38 -4.86 118.68 126.75 1jsi s LEU 227 Ca -0.04 0.57 -0.12 0.00 -0.22 0.00 0.00 54.13 54.31 1jsi s LEU 227 Cb -0.18 -3.48 -0.03 0.00 0.50 0.00 0.00 46.19 43.00 1jsi s LEU 227 CO -0.07 -1.12 1.04 -0.54 -1.32 0.00 0.00 176.35 174.34 1jsi s LYS 228 N 4.12 3.38 0.18 1.98 1.02 -1.26 -1.01 119.74 128.15 1jsi s LYS 228 Ca 0.45 0.90 -0.33 0.00 0.02 0.00 0.00 55.97 57.02 1jsi s LYS 228 Cb -0.09 -2.05 -0.15 0.00 -0.52 0.00 0.00 37.83 35.02 1jsi s LYS 228 CO 0.26 -0.74 1.27 -2.30 -0.92 0.00 0.00 175.35 172.92 1jsi n PRO 229 N -2.64 1.44 0.00 -1.68 -0.02 -1.26 -1.20 135.00 129.64 1jsi n PRO 229 Ca 0.07 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1jsi n PRO 229 Cb 0.54 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 1jsi n PRO 229 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jsi n GLY 230 N 2.19 2.86 3.77 -1.23 0.00 0.76 -5.01 105.19 108.52 1jsi n GLY 230 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 1jsi n GLY 230 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jsi s GLN 231 N -0.12 2.23 -0.10 1.61 -0.21 -0.34 -4.69 119.66 118.04 1jsi s GLN 231 Ca 0.00 1.19 0.03 0.00 0.02 0.00 0.00 55.36 56.60 1jsi s GLN 231 Cb 0.00 -1.89 0.00 0.00 1.00 0.00 0.00 33.01 32.12 1jsi s GLN 231 CO 0.00 -1.67 -0.22 0.99 -2.12 0.00 0.00 175.29 172.27 1jsi s THR 232 N -2.88 1.90 0.07 -0.19 2.01 -1.26 -1.47 115.64 113.82 1jsi s THR 232 Ca 0.61 -0.92 -0.06 0.00 0.31 0.00 0.00 61.69 61.63 1jsi s THR 232 Cb -0.17 -1.66 -0.05 0.00 0.01 0.00 0.00 72.50 70.62 1jsi s THR 232 CO 0.56 0.52 0.33 -0.22 -0.69 0.00 0.00 174.62 175.12 1jsi s LEU 233 N 0.47 4.33 -0.09 4.42 2.96 0.91 -4.05 118.68 127.63 1jsi s LEU 233 Ca -0.16 0.61 -0.06 0.00 -0.22 0.00 0.00 54.13 54.29 1jsi s LEU 233 Cb -0.17 -2.96 0.04 0.00 0.50 0.00 0.00 46.19 43.59 1jsi s LEU 233 CO 0.07 0.17 0.22 -0.60 -1.32 0.00 0.00 176.35 174.88 1jsi s ARG 234 N -2.12 0.21 -0.06 1.98 3.52 0.11 -1.95 118.95 120.65 1jsi s ARG 234 Ca 0.33 0.43 0.03 0.00 -0.13 0.00 0.00 55.73 56.39 1jsi s ARG 234 Cb -0.13 -0.04 0.01 0.00 -1.56 0.00 0.00 34.95 33.23 1jsi s ARG 234 CO 0.20 -0.12 -0.13 0.14 -0.81 0.00 0.00 175.30 174.59 1jsi s VAL 235 N 0.84 1.13 -0.02 7.11 -7.23 -0.86 -0.60 120.40 120.77 1jsi s VAL 235 Ca -0.06 -0.50 0.04 0.00 -1.81 0.00 0.00 61.98 59.65 1jsi s VAL 235 Cb -0.07 -1.02 -0.00 0.00 0.56 0.00 0.00 36.38 35.85 1jsi s VAL 235 CO -0.05 0.35 -0.13 -0.13 -0.31 0.00 0.00 175.10 174.83 1jsi s ARG 236 N 0.49 1.19 -0.05 4.82 0.52 -0.20 -1.30 118.95 124.42 1jsi s ARG 236 Ca -0.11 -0.44 -0.30 0.00 -0.52 0.00 0.00 55.73 54.36 1jsi s ARG 236 Cb -0.14 -1.10 0.09 0.00 0.52 0.00 0.00 34.95 34.31 1jsi s ARG 236 CO 0.03 0.21 0.76 0.45 0.02 0.00 0.00 175.30 176.77 1jsi s SER 237 N -0.04 -0.56 -0.11 0.23 0.15 0.01 0.72 113.70 114.11 1jsi s SER 237 Ca -0.00 0.52 0.14 0.00 0.70 0.00 0.00 55.95 57.31 1jsi s SER 237 Cb -0.08 0.48 0.25 0.00 -1.71 0.00 0.00 66.02 64.97 1jsi s SER 237 CO 0.00 -0.59 1.13 -0.46 1.20 0.00 0.00 173.24 174.52 1jsi n ASN 238 N 0.64 1.65 0.00 5.45 6.94 -1.20 0.22 115.26 128.96 1jsi n ASN 238 Ca -0.16 -2.91 0.00 0.00 -0.02 0.00 0.00 54.58 51.49 1jsi n ASN 238 Cb 0.58 -0.39 0.00 0.00 -2.36 0.00 0.00 39.78 37.62 1jsi n ASN 238 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1jsi n GLY 239 N -0.96 4.21 3.73 4.83 0.00 -1.26 -4.81 105.19 110.93 1jsi n GLY 239 Ca 0.12 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1jsi n GLY 239 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jsi n ASN 240 N 0.00 0.00 -4.75 1.61 3.02 -1.26 -4.54 115.26 109.34 1jsi n ASN 240 Ca 0.00 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.15 1jsi n ASN 240 Cb 0.00 -0.65 -0.05 0.00 -0.61 0.00 0.00 39.78 38.47 1jsi n ASN 240 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1jsi s LEU 241 N 0.00 4.59 -0.64 3.41 2.96 -1.26 -0.27 118.68 127.46 1jsi s LEU 241 Ca 0.00 2.05 -0.02 0.00 -0.22 0.00 0.00 54.13 55.94 1jsi s LEU 241 Cb 0.00 -3.61 0.16 0.00 0.50 0.00 0.00 46.19 43.24 1jsi s LEU 241 CO 0.00 -0.00 0.45 -0.63 -1.32 0.00 0.00 176.35 174.85 1jsi s ILE 242 N -0.94 3.66 0.50 6.68 -1.09 0.76 -3.63 121.20 127.13 1jsi s ILE 242 Ca 0.44 -3.10 -0.23 0.00 -2.23 0.00 0.00 60.65 55.53 1jsi s ILE 242 Cb -0.28 -3.38 -0.06 0.00 -1.58 0.00 0.00 42.46 37.15 1jsi s ILE 242 CO 0.35 -0.89 1.37 0.00 -1.23 0.00 0.00 174.94 174.53 1jsi s ALA 243 N -0.22 3.00 0.27 9.38 0.00 -0.72 -1.25 121.76 132.22 1jsi s ALA 243 Ca 0.18 1.35 -0.30 0.00 0.00 0.00 0.00 51.96 53.19 1jsi s ALA 243 Cb -0.20 -3.56 -0.10 0.00 0.00 0.00 0.00 23.12 19.26 1jsi s ALA 243 CO -0.04 -1.24 1.40 -2.14 0.00 0.00 0.00 175.76 173.75 1jsi s PRO 244 N -2.70 4.29 0.04 0.00 0.02 -1.24 -0.47 135.00 134.93 1jsi s PRO 244 Ca 0.67 2.28 -0.01 0.00 0.02 0.00 0.00 61.00 63.96 1jsi s PRO 244 Cb -0.41 -3.10 -0.00 0.00 0.02 0.00 0.00 34.50 31.01 1jsi s PRO 244 CO 0.50 -0.36 -0.01 1.87 -0.33 0.00 0.00 177.00 178.66 1jsi n TRP 245 N 1.87 0.00 -4.56 6.54 -0.00 0.12 -4.21 117.44 117.20 1jsi n TRP 245 Ca 0.05 0.00 -0.23 0.00 -0.00 0.00 0.00 57.50 57.32 1jsi n TRP 245 Cb 0.41 -0.03 -0.14 0.00 -0.00 0.00 0.00 31.31 31.54 1jsi n TRP 245 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 177.69 178.40 1jsi s TYR 246 N -2.03 1.42 0.52 5.87 1.51 -0.67 -0.65 117.35 123.32 1jsi s TYR 246 Ca -0.01 -0.32 0.02 0.00 -1.01 0.00 0.00 57.07 55.74 1jsi s TYR 246 Cb 0.00 -0.87 -0.01 0.00 -0.11 0.00 0.00 41.96 40.98 1jsi s TYR 246 CO 0.02 0.03 0.05 0.20 -1.11 0.00 0.00 175.55 174.73 1jsi s GLY 247 N -0.85 2.97 0.02 0.71 0.00 0.94 -4.63 107.32 106.47 1jsi s GLY 247 Ca 0.05 -0.44 0.09 0.00 0.00 0.00 0.00 44.72 44.41 1jsi s GLY 247 CO 0.01 -2.17 -0.26 0.30 0.00 0.00 0.00 173.10 170.98 1jsi s HIS 248 N -2.87 2.28 -0.26 1.90 3.76 0.48 -0.44 115.29 120.14 1jsi s HIS 248 Ca 0.08 -0.42 -0.08 0.00 -0.15 0.00 0.00 55.06 54.50 1jsi s HIS 248 Cb 0.01 -1.41 -0.02 0.00 1.11 0.00 0.00 32.58 32.27 1jsi s HIS 248 CO 0.05 0.05 0.09 0.42 -0.85 0.00 0.00 174.74 174.50 1jsi s ILE 249 N -0.72 4.38 0.04 0.60 1.01 -0.06 0.17 121.20 126.62 1jsi s ILE 249 Ca 0.11 -0.24 -0.08 0.00 0.00 0.00 0.00 60.65 60.44 1jsi s ILE 249 Cb -0.10 -3.10 -0.05 0.00 0.01 0.00 0.00 42.46 39.22 1jsi s ILE 249 CO 0.01 0.27 0.32 -0.76 0.00 0.00 0.00 174.94 174.78 1jsi s LEU 250 N 1.61 4.36 0.07 2.97 1.43 -1.26 -1.91 118.68 125.95 1jsi s LEU 250 Ca 0.06 0.64 -0.04 0.00 -1.03 0.00 0.00 54.13 53.77 1jsi s LEU 250 Cb -0.16 -2.80 -0.03 0.00 0.03 0.00 0.00 46.19 43.23 1jsi s LEU 250 CO 0.04 0.22 0.05 -0.44 0.23 0.00 0.00 176.35 176.45 1jsi s SER 251 N -1.74 0.36 0.89 2.29 0.01 -0.65 -4.86 113.70 110.00 1jsi s SER 251 Ca 0.30 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.65 1jsi s SER 251 Cb -0.13 0.25 0.00 0.00 0.21 0.00 0.00 66.02 66.35 1jsi s SER 251 CO 0.17 -0.65 0.00 0.61 0.41 0.00 0.00 173.24 173.78 1jsi n GLY 252 N 0.04 -0.92 2.78 3.44 0.00 -1.26 -0.14 105.19 109.13 1jsi n GLY 252 Ca -0.14 -0.93 -0.18 0.00 0.00 0.00 0.00 46.02 44.77 1jsi n GLY 252 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1jsi s GLU 253 N -0.14 0.23 0.00 1.61 2.02 -1.26 -3.56 118.70 117.60 1jsi s GLU 253 Ca 0.00 0.14 0.00 0.00 0.02 0.00 0.00 54.97 55.13 1jsi s GLU 253 Cb 0.00 -0.51 0.00 0.00 0.10 0.00 0.00 34.13 33.72 1jsi s GLU 253 CO 0.00 -0.19 0.00 -1.13 0.02 0.00 0.00 175.26 173.96 1jsi n SER 254 N 4.45 0.00 0.03 -0.19 3.41 -0.53 -4.66 113.62 116.14 1jsi n SER 254 Ca -0.21 -0.37 0.10 0.00 -0.26 0.00 0.00 58.87 58.14 1jsi n SER 254 Cb 0.50 0.00 0.43 0.00 -0.26 0.00 0.00 64.21 64.88 1jsi n SER 254 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1jsi n HIS 255 N -0.37 0.23 -2.99 7.33 -0.00 0.56 -4.90 115.22 115.08 1jsi n HIS 255 Ca 0.00 0.08 -0.18 0.00 -0.00 0.00 0.00 57.72 57.62 1jsi n HIS 255 Cb 0.00 -0.63 0.04 0.00 -0.00 0.00 0.00 29.99 29.39 1jsi n HIS 255 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1jsi n GLY 256 N 0.50 -0.26 3.63 -1.41 0.00 -1.25 -5.02 105.19 101.37 1jsi n GLY 256 Ca 0.04 -0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 1jsi n GLY 256 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jsi s ARG 257 N -5.60 2.28 -0.35 1.61 3.00 -1.26 -4.77 118.95 113.85 1jsi s ARG 257 Ca 0.30 -1.14 0.00 0.00 0.00 0.00 0.00 55.73 54.90 1jsi s ARG 257 Cb -0.13 -2.30 0.11 0.00 0.00 0.00 0.00 34.95 32.63 1jsi s ARG 257 CO 0.37 0.46 0.14 0.42 0.00 0.00 0.00 175.30 176.69 1jsi s ILE 258 N -1.66 1.11 -0.16 1.52 1.01 -1.26 -1.80 121.20 119.97 1jsi s ILE 258 Ca 0.26 -1.84 -0.20 0.00 0.00 0.00 0.00 60.65 58.87 1jsi s ILE 258 Cb -0.09 -1.82 -0.03 0.00 0.01 0.00 0.00 42.46 40.52 1jsi s ILE 258 CO 0.17 -0.75 0.57 -0.76 0.00 0.00 0.00 174.94 174.17 1jsi s LEU 259 N 1.15 4.20 -0.77 2.97 1.43 0.07 -4.93 118.68 122.80 1jsi s LEU 259 Ca 0.13 0.84 -0.06 0.00 -1.03 0.00 0.00 54.13 54.01 1jsi s LEU 259 Cb -0.20 -2.82 0.20 0.00 0.03 0.00 0.00 46.19 43.40 1jsi s LEU 259 CO -0.15 -0.16 0.65 -0.54 0.23 0.00 0.00 176.35 176.39 1jsi s LYS 260 N 1.34 3.12 0.18 1.70 1.02 -1.26 -0.62 119.74 125.22 1jsi s LYS 260 Ca 0.28 -2.73 -0.14 0.00 0.02 0.00 0.00 55.97 53.41 1jsi s LYS 260 Cb -0.16 -4.03 0.01 0.00 -0.52 0.00 0.00 37.83 33.13 1jsi s LYS 260 CO 0.11 -1.23 0.41 -0.08 -0.92 0.00 0.00 175.35 173.64 1jsi s THR 261 N -0.38 0.05 -0.39 2.17 -1.32 -1.21 -4.94 115.64 109.62 1jsi s THR 261 Ca 0.20 -1.04 0.15 0.00 -1.21 0.00 0.00 61.69 59.79 1jsi s THR 261 Cb -0.14 -1.67 0.49 0.00 -1.51 0.00 0.00 72.50 69.67 1jsi s THR 261 CO -0.07 -0.22 1.40 -0.90 -2.21 0.00 0.00 174.62 172.62 1jsi n ASP 262 N -0.28 3.76 -4.65 8.08 3.85 -1.26 -4.24 116.55 121.80 1jsi n ASP 262 Ca -0.09 -2.75 -0.40 0.00 -0.71 0.00 0.00 54.79 50.84 1jsi n ASP 262 Cb 0.63 -0.48 0.03 0.00 -1.35 0.00 0.00 41.12 39.95 1jsi n ASP 262 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.20 176.08 1jsi n LEU 263 N -0.17 3.72 -4.77 -2.12 7.94 -1.26 -4.91 117.00 115.43 1jsi n LEU 263 Ca 0.19 0.98 -0.37 0.00 -1.11 0.00 0.00 56.01 55.70 1jsi n LEU 263 Cb 0.79 -1.43 0.00 0.00 0.53 0.00 0.00 43.42 43.31 1jsi n LEU 263 CO 0.14 -1.25 0.86 0.20 -1.11 0.00 0.00 177.39 176.24 1jsi s ASN 264 N -0.86 5.94 0.15 1.96 0.01 -1.26 -4.77 114.94 116.11 1jsi s ASN 264 Ca 0.67 2.41 0.05 0.00 -0.71 0.00 0.00 52.86 55.29 1jsi s ASN 264 Cb -0.48 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 38.53 1jsi s ASN 264 CO 0.53 -1.08 0.09 -0.94 -1.51 0.00 0.00 177.10 174.19 1jsi s SER 265 N -1.28 5.31 0.27 -1.22 1.04 -1.26 -0.50 113.70 116.06 1jsi s SER 265 Ca 0.66 -0.18 -0.02 0.00 0.48 0.00 0.00 55.95 56.88 1jsi s SER 265 Cb -0.31 -1.33 -0.02 0.00 0.10 0.00 0.00 66.02 64.46 1jsi s SER 265 CO 0.37 0.09 0.32 -0.83 0.98 0.00 0.00 173.24 174.18 1jsi s GLY 266 N -2.94 1.47 -1.25 7.32 0.00 -0.87 -4.85 107.32 106.20 1jsi s GLY 266 Ca 0.30 -1.57 -0.11 0.00 0.00 0.00 0.00 44.72 43.33 1jsi s GLY 266 CO 0.22 -1.16 1.67 -2.01 0.00 0.00 0.00 173.10 171.82 1jsi n ASN 267 N -0.86 5.15 -4.14 1.64 5.15 -1.26 -4.74 115.26 116.21 1jsi n ASN 267 Ca 0.02 -3.05 -0.09 0.00 -0.60 0.00 0.00 54.58 50.86 1jsi n ASN 267 Cb 0.63 -1.52 -0.10 0.00 -0.53 0.00 0.00 39.78 38.26 1jsi n ASN 267 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1jsi s VAL 269 N -4.02 0.43 0.20 0.00 1.01 -1.26 -1.59 120.40 115.17 1jsi s VAL 269 Ca 0.21 -0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.09 1jsi s VAL 269 Cb 0.08 -0.44 -0.05 0.00 0.00 0.00 0.00 36.38 35.96 1jsi s VAL 269 CO -0.01 0.18 0.01 0.68 0.00 0.00 0.00 175.10 175.96 1jsi s VAL 270 N 0.61 0.78 -0.03 2.92 -7.23 -0.53 -4.94 120.40 111.97 1jsi s VAL 270 Ca -0.07 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.05 1jsi s VAL 270 Cb -0.11 -2.23 -0.28 0.00 0.56 0.00 0.00 36.38 34.32 1jsi s VAL 270 CO -0.00 -0.39 0.72 1.56 -0.31 0.00 0.00 175.10 176.68 1jsi h GLN 271 N 2.60 0.27 -4.64 4.82 4.20 -1.84 -3.36 115.11 117.17 1jsi h GLN 271 Ca -0.37 -0.46 -0.59 0.00 0.06 0.00 0.00 58.65 57.28 1jsi h GLN 271 Cb 1.21 0.17 -0.36 0.00 0.30 0.00 0.00 27.48 28.81 1jsi h GLN 271 CO 0.63 1.13 -0.83 0.00 -0.67 0.00 0.00 178.83 179.09 1jsi s GLN 273 N 1.37 2.66 0.22 0.00 2.00 0.01 -0.79 119.66 125.14 1jsi s GLN 273 Ca 0.02 -0.64 0.01 0.00 -2.00 0.00 0.00 55.36 52.74 1jsi s GLN 273 Cb -0.13 -2.56 -0.05 0.00 0.80 0.00 0.00 33.01 31.07 1jsi s GLN 273 CO -0.08 0.63 0.08 0.95 -0.50 0.00 0.00 175.29 176.37 1jsi s THR 274 N -0.96 0.42 -0.86 -0.34 -4.23 -0.48 -0.69 115.64 108.50 1jsi s THR 274 Ca 0.16 -1.99 0.17 0.00 -1.18 0.00 0.00 61.69 58.85 1jsi s THR 274 Cb -0.11 -2.48 0.15 0.00 1.34 0.00 0.00 72.50 71.41 1jsi s THR 274 CO 0.06 -0.12 1.53 -1.84 -0.54 0.00 0.00 174.62 173.71 1jsi n GLU 275 N -0.36 0.05 -0.01 3.99 0.00 -1.26 -2.29 120.64 120.77 1jsi n GLU 275 Ca -0.01 0.30 0.11 0.00 0.00 0.00 0.00 57.16 57.56 1jsi n GLU 275 Cb 0.65 -1.60 -0.15 0.00 0.00 0.00 0.00 31.44 30.34 1jsi n GLU 275 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1jsi n ARG 276 N -1.70 0.50 0.00 3.44 1.74 -1.26 -4.87 116.66 114.50 1jsi n ARG 276 Ca 0.03 -0.14 0.00 0.00 -0.77 0.00 0.00 57.85 56.97 1jsi n ARG 276 Cb 0.18 -1.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 1jsi n ARG 276 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jsi n GLY 277 N 1.32 1.56 3.86 -0.13 0.00 -0.97 -4.05 105.19 106.77 1jsi n GLY 277 Ca -0.02 -1.43 -0.23 0.00 0.00 0.00 0.00 46.02 44.34 1jsi n GLY 277 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jsi s GLY 278 N 0.00 2.23 0.19 -0.02 0.00 -1.14 -1.39 107.32 107.19 1jsi s GLY 278 Ca 0.00 -1.78 -0.21 0.00 0.00 0.00 0.00 44.72 42.74 1jsi s GLY 278 CO 0.00 -1.81 0.58 0.48 0.00 0.00 0.00 173.10 172.35 1jsi s LEU 279 N -4.14 -0.25 -0.03 0.66 0.05 0.03 -0.60 118.68 114.40 1jsi s LEU 279 Ca 0.43 -0.26 0.02 0.00 0.05 0.00 0.00 54.13 54.37 1jsi s LEU 279 Cb -0.01 2.42 0.01 0.00 -2.05 0.00 0.00 46.19 46.56 1jsi s LEU 279 CO 0.25 -1.04 -0.07 0.20 -0.55 0.00 0.00 176.35 175.14 1jsi s ASN 280 N -2.82 1.05 -0.04 1.48 -0.87 -1.26 -2.31 114.94 110.17 1jsi s ASN 280 Ca 0.05 -0.16 -0.30 0.00 -1.57 0.00 0.00 52.86 50.88 1jsi s ASN 280 Cb -0.02 -0.38 0.11 0.00 -0.02 0.00 0.00 41.25 40.94 1jsi s ASN 280 CO -0.07 0.01 1.02 0.28 -2.57 0.00 0.00 177.10 175.77 1jsi s THR 281 N 0.50 0.00 -0.58 1.60 -1.32 -1.26 -5.02 115.64 109.56 1jsi s THR 281 Ca -0.07 -0.08 0.08 0.00 -1.21 0.00 0.00 61.69 60.40 1jsi s THR 281 Cb -0.11 -1.16 -0.03 0.00 -1.51 0.00 0.00 72.50 69.69 1jsi s THR 281 CO 0.01 0.00 0.47 0.35 -2.21 0.00 0.00 174.62 173.23 1jsi n THR 282 N -0.24 0.00 -2.09 5.08 -2.24 -1.26 -4.96 114.28 108.58 1jsi n THR 282 Ca -0.06 -0.38 -0.36 0.00 -2.27 0.00 0.00 64.05 60.98 1jsi n THR 282 Cb 0.61 1.06 0.02 0.00 -2.10 0.00 0.00 70.33 69.92 1jsi n THR 282 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1jsi s LEU 283 N -1.79 3.76 0.42 3.22 1.43 -1.26 -4.95 118.68 119.50 1jsi s LEU 283 Ca 0.05 2.36 0.18 0.00 -1.03 0.00 0.00 54.13 55.69 1jsi s LEU 283 Cb 0.06 -4.51 0.92 0.00 0.03 0.00 0.00 46.19 42.69 1jsi s LEU 283 CO 0.24 -1.40 1.89 1.55 0.23 0.00 0.00 176.35 178.86 1jsi h PRO 284 N 1.20 0.00 -5.28 1.29 0.13 -1.95 -3.44 132.00 123.95 1jsi h PRO 284 Ca -0.50 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.16 1jsi h PRO 284 Cb 1.28 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.27 1jsi h PRO 284 CO 0.57 0.29 -0.63 -0.06 -0.23 0.00 0.00 178.00 177.94 1jsi s PHE 285 N -4.13 1.93 0.07 1.56 0.40 -1.01 -0.74 117.98 116.06 1jsi s PHE 285 Ca -0.02 -0.89 -0.21 0.00 -0.60 0.00 0.00 56.93 55.21 1jsi s PHE 285 Cb 0.14 -1.22 0.05 0.00 0.51 0.00 0.00 43.02 42.49 1jsi s PHE 285 CO 0.68 0.07 0.49 -3.38 0.70 0.00 0.00 175.22 173.78 1jsi s HIS 286 N -3.24 -0.37 -0.12 0.36 -3.43 -0.88 -0.30 115.29 107.31 1jsi s HIS 286 Ca 0.34 0.32 0.15 0.00 -0.80 0.00 0.00 55.06 55.07 1jsi s HIS 286 Cb 0.07 0.33 0.28 0.00 -1.43 0.00 0.00 32.58 31.83 1jsi s HIS 286 CO 0.14 -0.66 1.14 0.27 -2.00 0.00 0.00 174.74 173.63 1jsi n ASN 287 N 0.24 1.81 -0.04 7.38 6.94 -1.09 -0.96 115.26 129.54 1jsi n ASN 287 Ca -0.18 -3.03 -0.13 0.00 -0.02 0.00 0.00 54.58 51.21 1jsi n ASN 287 Cb 0.61 -0.41 -0.09 0.00 -2.36 0.00 0.00 39.78 37.54 1jsi n ASN 287 CO 0.00 0.00 0.00 0.58 -1.03 0.00 0.00 177.26 176.81 1jsi h VAL 288 N 1.59 1.40 -1.31 3.53 2.07 -1.88 -3.48 116.25 118.17 1jsi h VAL 288 Ca -0.01 -1.35 0.13 0.00 0.82 0.00 0.00 66.70 66.29 1jsi h VAL 288 Cb 1.10 2.13 -0.30 0.00 -1.52 0.00 0.00 31.29 32.71 1jsi h VAL 288 CO 0.00 0.38 0.69 -0.55 0.02 0.00 0.00 177.57 178.11 1jsi s SER 289 N -5.99 -0.23 0.21 0.57 0.15 -1.26 -4.95 113.70 102.20 1jsi s SER 289 Ca -0.15 0.44 0.23 0.00 0.70 0.00 0.00 55.95 57.16 1jsi s SER 289 Cb 0.03 0.44 0.91 0.00 -1.71 0.00 0.00 66.02 65.69 1jsi s SER 289 CO 0.72 -0.08 1.69 2.29 1.20 0.00 0.00 173.24 179.06 1jsi n LYS 290 N 1.81 0.17 -0.07 5.44 2.85 -1.26 -2.47 118.16 124.63 1jsi n LYS 290 Ca -0.11 0.35 0.11 0.00 -1.05 0.00 0.00 58.31 57.61 1jsi n LYS 290 Cb 0.56 -1.80 0.39 0.00 -0.65 0.00 0.00 35.03 33.54 1jsi n LYS 290 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1jsi n TYR 291 N -2.11 0.19 -1.63 5.58 4.02 -1.26 -4.95 117.16 116.99 1jsi n TYR 291 Ca 0.03 -0.09 -0.41 0.00 -0.01 0.00 0.00 57.90 57.42 1jsi n TYR 291 Cb 0.26 0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.59 1jsi n TYR 291 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1jsi n ALA 292 N 0.30 0.41 -2.41 -0.72 0.00 -1.03 -4.83 120.51 112.22 1jsi n ALA 292 Ca 0.16 0.20 -0.08 0.00 0.00 0.00 0.00 53.44 53.72 1jsi n ALA 292 Cb 0.33 -2.12 -0.08 0.00 0.00 0.00 0.00 19.45 17.57 1jsi n ALA 292 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1jsi s PHE 293 N -1.30 0.27 0.00 0.00 -0.12 0.13 -4.98 117.98 111.98 1jsi s PHE 293 Ca 0.65 -0.73 0.00 0.00 -0.05 0.00 0.00 56.93 56.79 1jsi s PHE 293 Cb -0.52 -0.16 0.00 0.00 -0.63 0.00 0.00 43.02 41.71 1jsi s PHE 293 CO 0.55 -0.49 0.00 0.41 -0.05 0.00 0.00 175.22 175.64 1jsi n GLY 294 N -0.01 0.31 3.24 1.99 0.00 -1.26 -0.81 105.19 108.65 1jsi n GLY 294 Ca -0.15 -1.65 -0.43 0.00 0.00 0.00 0.00 46.02 43.80 1jsi n GLY 294 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1jsi s ASN 295 N -4.00 6.27 0.31 1.61 2.47 0.16 -4.97 114.94 116.80 1jsi s ASN 295 Ca 0.00 -2.91 0.10 0.00 0.42 0.00 0.00 52.86 50.47 1jsi s ASN 295 Cb 0.00 -2.08 -0.05 0.00 -1.45 0.00 0.00 41.25 37.67 1jsi s ASN 295 CO 0.00 -0.45 -0.10 0.00 -3.72 0.00 0.00 177.10 172.83 1jsi n PRO 297 N -0.77 -0.86 -3.12 0.00 -0.02 -1.26 -5.02 135.00 123.93 1jsi n PRO 297 Ca -0.05 -2.20 -0.39 0.00 -2.02 0.00 0.00 63.50 58.84 1jsi n PRO 297 Cb 0.61 -1.09 -0.05 0.00 -0.02 0.00 0.00 33.50 32.95 1jsi n PRO 297 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1jsi s LYS 298 N -5.54 4.40 0.29 -0.52 2.20 0.08 -4.83 119.74 115.82 1jsi s LYS 298 Ca 0.70 0.79 -0.29 0.00 -0.36 0.00 0.00 55.97 56.81 1jsi s LYS 298 Cb -0.02 -3.41 -0.10 0.00 -1.51 0.00 0.00 37.83 32.79 1jsi s LYS 298 CO 0.48 0.17 1.14 -0.47 -0.36 0.00 0.00 175.35 176.32 1jsi s TYR 299 N 0.46 3.46 -0.09 4.03 5.04 -1.26 -2.07 117.35 126.92 1jsi s TYR 299 Ca 0.34 1.64 -0.04 0.00 -2.44 0.00 0.00 57.07 56.57 1jsi s TYR 299 Cb -0.18 -3.37 0.05 0.00 0.35 0.00 0.00 41.96 38.81 1jsi s TYR 299 CO 0.17 -0.83 0.21 0.08 -1.34 0.00 0.00 175.55 173.84 1jsi s VAL 300 N -1.17 -0.10 -1.32 3.14 1.01 -0.13 -4.89 120.40 116.94 1jsi s VAL 300 Ca 0.46 0.19 -0.14 0.00 0.00 0.00 0.00 61.98 62.49 1jsi s VAL 300 Cb -0.33 -0.34 0.11 0.00 0.00 0.00 0.00 36.38 35.81 1jsi s VAL 300 CO 0.43 0.08 1.85 0.61 0.00 0.00 0.00 175.10 178.07 1jsi n GLY 301 N 4.44 3.79 3.46 4.51 0.00 -1.26 -4.08 105.19 116.06 1jsi n GLY 301 Ca -0.22 -1.77 -0.11 0.00 0.00 0.00 0.00 46.02 43.93 1jsi n GLY 301 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jsi s VAL 302 N 2.46 0.00 -0.31 1.61 -7.23 -1.26 -5.06 120.40 110.60 1jsi s VAL 302 Ca 0.46 -1.61 0.22 0.00 -1.81 0.00 0.00 61.98 59.25 1jsi s VAL 302 Cb 0.07 -2.35 -0.14 0.00 0.56 0.00 0.00 36.38 34.52 1jsi s VAL 302 CO -0.00 0.00 0.87 0.29 -0.31 0.00 0.00 175.10 175.95 1jsi n LYS 303 N -0.37 0.50 -3.60 4.82 4.76 -1.26 -4.76 118.16 118.26 1jsi n LYS 303 Ca -0.00 -0.02 -0.10 0.00 -2.87 0.00 0.00 58.31 55.33 1jsi n LYS 303 Cb 0.63 -1.65 -0.06 0.00 -1.84 0.00 0.00 35.03 32.11 1jsi n LYS 303 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1jsi s SER 304 N -4.60 -0.37 -0.42 4.39 0.15 -1.26 -5.03 113.70 106.57 1jsi s SER 304 Ca -0.01 0.49 0.06 0.00 0.70 0.00 0.00 55.95 57.18 1jsi s SER 304 Cb 0.13 0.42 0.21 0.00 -1.71 0.00 0.00 66.02 65.06 1jsi s SER 304 CO 0.83 -0.28 0.44 0.18 1.20 0.00 0.00 173.24 175.62 1jsi n LEU 305 N 1.08 0.06 -4.62 3.45 4.77 -1.26 -4.99 117.00 115.49 1jsi n LEU 305 Ca -0.10 -4.58 -0.43 0.00 -0.03 0.00 0.00 56.01 50.87 1jsi n LEU 305 Cb 0.57 0.52 -0.03 0.00 -2.33 0.00 0.00 43.42 42.15 1jsi n LEU 305 CO 0.12 1.96 0.90 -0.75 -1.33 0.00 0.00 177.39 178.30 1jsi s LYS 306 N -0.66 3.94 -0.15 3.23 2.47 -1.26 -1.36 119.74 125.95 1jsi s LYS 306 Ca 0.34 0.83 -0.14 0.00 -1.56 0.00 0.00 55.97 55.44 1jsi s LYS 306 Cb 0.10 -3.78 -0.05 0.00 -1.46 0.00 0.00 37.83 32.64 1jsi s LYS 306 CO -0.15 -0.99 0.31 -1.17 0.16 0.00 0.00 175.35 173.51 1jsi s LEU 307 N 3.72 4.26 0.28 5.43 2.96 -0.01 -4.67 118.68 130.65 1jsi s LEU 307 Ca 0.43 0.55 -0.29 0.00 -0.22 0.00 0.00 54.13 54.60 1jsi s LEU 307 Cb -0.11 -2.41 -0.10 0.00 0.50 0.00 0.00 46.19 44.07 1jsi s LEU 307 CO 0.19 0.10 1.27 0.00 -1.32 0.00 0.00 176.35 176.59 1jsi s ALA 308 N 0.42 3.49 0.06 5.97 0.00 -1.26 -0.18 121.76 130.26 1jsi s ALA 308 Ca 0.18 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.28 1jsi s ALA 308 Cb -0.13 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1jsi s ALA 308 CO 0.05 -0.51 0.00 0.28 0.00 0.00 0.00 175.76 175.57 1jsi n VAL 309 N 1.46 0.61 -0.88 0.00 0.31 -0.42 -4.86 118.33 114.54 1jsi n VAL 309 Ca 0.02 0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.55 1jsi n VAL 309 Cb 0.43 -1.45 0.00 0.00 -0.91 0.00 0.00 33.84 31.90 1jsi n VAL 309 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jsi n GLY 310 N 3.11 -0.43 4.02 2.92 0.00 0.61 -4.93 105.19 110.50 1jsi n GLY 310 Ca 0.00 -1.73 -0.19 0.00 0.00 0.00 0.00 46.02 44.10 1jsi n GLY 310 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1jsi s LEU 311 N 0.00 3.25 0.12 0.99 2.34 -1.26 -4.72 118.68 119.40 1jsi s LEU 311 Ca 0.00 -0.67 -0.31 0.00 0.06 0.00 0.00 54.13 53.21 1jsi s LEU 311 Cb 0.00 -1.98 -0.10 0.00 -0.56 0.00 0.00 46.19 43.55 1jsi s LEU 311 CO 0.00 -1.22 1.77 -0.60 -1.06 0.00 0.00 176.35 175.24 1jsi s ARG 312 N -4.62 4.15 -0.68 1.48 3.52 -1.26 -1.14 118.95 120.40 1jsi s ARG 312 Ca 0.60 2.53 -0.25 0.00 -0.13 0.00 0.00 55.73 58.49 1jsi s ARG 312 Cb -0.07 -3.52 0.05 0.00 -1.56 0.00 0.00 34.95 29.84 1jsi s ARG 312 CO 0.38 -0.80 1.11 1.21 -0.81 0.00 0.00 175.30 176.39 1jsi s ASN 313 N 2.43 6.20 -0.36 -2.12 2.47 0.11 -4.78 114.94 118.88 1jsi s ASN 313 Ca 0.78 -0.61 -0.08 0.00 0.42 0.00 0.00 52.86 53.37 1jsi s ASN 313 Cb -0.45 -2.49 0.05 0.00 -1.45 0.00 0.00 41.25 36.90 1jsi s ASN 313 CO 0.35 -1.59 0.16 -0.69 -3.72 0.00 0.00 177.10 171.60 1jsi s VAL 314 N 4.84 4.05 0.19 -5.21 1.01 -1.26 -4.77 120.40 119.24 1jsi s VAL 314 Ca 0.30 -1.14 -0.30 0.00 0.00 0.00 0.00 61.98 60.84 1jsi s VAL 314 Cb -0.12 -3.33 -0.08 0.00 0.00 0.00 0.00 36.38 32.85 1jsi s VAL 314 CO 0.14 -0.27 1.28 -2.16 0.00 0.00 0.00 175.10 174.09 1jsi s PRO 315 N 1.44 4.41 0.01 2.72 0.04 -1.26 -4.81 135.00 137.55 1jsi s PRO 315 Ca 0.00 1.99 -0.25 0.00 0.04 0.00 0.00 61.00 62.79 1jsi s PRO 315 Cb -0.20 -3.22 -0.17 0.00 0.04 0.00 0.00 34.50 30.95 1jsi s PRO 315 CO 0.03 -0.22 1.28 0.00 0.04 0.00 0.00 177.00 178.14 1jsi h ALA 316 N 5.45 -0.33 0.00 8.56 0.00 -2.00 -3.54 119.26 127.41 1jsi h ALA 316 Ca -0.44 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1jsi h ALA 316 Cb 1.21 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1jsi h ALA 316 CO 0.77 -0.52 0.00 2.89 0.00 0.00 0.00 179.25 182.39