#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vln s ASP 2 N 0.00 5.41 -0.20 0.00 1.01 -1.26 -5.04 116.67 116.59 1vln s ASP 2 Ca 0.00 1.76 -0.03 0.00 0.71 0.00 0.00 52.55 54.99 1vln s ASP 2 Cb 0.00 -2.52 -0.01 0.00 1.01 0.00 0.00 42.92 41.40 1vln s ASP 2 CO 0.00 -1.42 -0.07 -0.89 0.21 0.00 0.00 175.17 172.99 1vln s THR 3 N -2.72 3.18 0.00 -1.27 2.01 -1.26 -5.02 115.64 110.56 1vln s THR 3 Ca 0.61 -0.57 0.07 0.00 0.31 0.00 0.00 61.69 62.12 1vln s THR 3 Cb -0.16 -2.42 -0.02 0.00 0.01 0.00 0.00 72.50 69.91 1vln s THR 3 CO 0.47 0.45 -0.22 -0.63 -0.69 0.00 0.00 174.62 174.00 1vln s ILE 4 N 1.27 1.72 -0.06 1.82 -1.09 -1.26 -3.33 121.20 120.27 1vln s ILE 4 Ca 0.03 -1.01 -0.01 0.00 -2.23 0.00 0.00 60.65 57.43 1vln s ILE 4 Cb -0.14 -1.45 0.03 0.00 -1.58 0.00 0.00 42.46 39.32 1vln s ILE 4 CO -0.03 0.41 0.01 -0.69 -1.23 0.00 0.00 174.94 173.41 1vln s VAL 5 N -0.59 0.25 0.12 2.92 1.01 -1.02 -1.00 120.40 122.09 1vln s VAL 5 Ca 0.08 0.16 -0.07 0.00 0.00 0.00 0.00 61.98 62.15 1vln s VAL 5 Cb -0.08 -0.41 -0.01 0.00 0.00 0.00 0.00 36.38 35.87 1vln s VAL 5 CO -0.00 0.22 0.19 0.00 0.00 0.00 0.00 175.10 175.51 1vln s ALA 6 N 1.77 0.06 -0.23 5.51 0.00 0.14 -1.39 121.76 127.61 1vln s ALA 6 Ca 0.01 -0.88 0.02 0.00 0.00 0.00 0.00 51.96 51.11 1vln s ALA 6 Cb -0.13 0.66 0.05 0.00 0.00 0.00 0.00 23.12 23.70 1vln s ALA 6 CO -0.04 -0.55 -0.11 0.08 0.00 0.00 0.00 175.76 175.15 1vln s VAL 7 N -3.93 1.96 0.05 0.00 1.01 -0.66 -0.15 120.40 118.68 1vln s VAL 7 Ca 0.12 -1.37 -0.04 0.00 0.00 0.00 0.00 61.98 60.69 1vln s VAL 7 Cb 0.05 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 1vln s VAL 7 CO -0.05 0.06 0.28 -1.83 0.00 0.00 0.00 175.10 173.56 1vln s GLU 8 N 1.23 3.55 -0.60 2.72 -1.05 -0.37 -1.61 118.70 122.57 1vln s GLU 8 Ca -0.05 -0.18 -0.00 0.00 -0.15 0.00 0.00 54.97 54.58 1vln s GLU 8 Cb -0.18 -3.01 0.15 0.00 -0.44 0.00 0.00 34.13 30.65 1vln s GLU 8 CO -0.07 0.60 0.39 -0.51 0.95 0.00 0.00 175.26 176.61 1vln s LEU 9 N -2.18 4.89 -0.34 1.83 1.02 0.89 -1.66 118.68 123.14 1vln s LEU 9 Ca 0.33 -2.97 -0.23 0.00 0.02 0.00 0.00 54.13 51.28 1vln s LEU 9 Cb -0.13 -1.77 0.00 0.00 0.02 0.00 0.00 46.19 44.31 1vln s LEU 9 CO 0.21 -0.30 0.77 -0.62 0.02 0.00 0.00 176.35 176.42 1vln s ASP 10 N 0.24 6.58 0.05 2.29 -1.08 -0.05 -1.73 116.67 122.97 1vln s ASP 10 Ca 0.17 0.46 0.15 0.00 -0.52 0.00 0.00 52.55 52.81 1vln s ASP 10 Cb -0.22 -2.39 -0.16 0.00 -1.46 0.00 0.00 42.92 38.69 1vln s ASP 10 CO -0.02 -0.67 0.83 0.71 0.52 0.00 0.00 175.17 176.54 1vln h THR 11 N 5.68 0.68 -3.33 1.71 1.35 -1.68 -1.87 112.91 115.46 1vln h THR 11 Ca -0.25 -2.28 -0.66 0.00 -0.55 0.00 0.00 66.41 62.67 1vln h THR 11 Cb 1.10 2.21 -0.27 0.00 -1.73 0.00 0.00 68.15 69.45 1vln h THR 11 CO 0.89 0.39 -0.75 -0.47 -0.25 0.00 0.00 175.52 175.33 1vln s TYR 12 N -2.82 2.89 -0.59 4.73 5.04 -1.24 -4.53 117.35 120.83 1vln s TYR 12 Ca -0.03 -0.82 -0.28 0.00 -2.44 0.00 0.00 57.07 53.51 1vln s TYR 12 Cb 0.08 -1.97 0.01 0.00 0.35 0.00 0.00 41.96 40.44 1vln s TYR 12 CO 0.81 -0.38 1.47 -2.14 -1.34 0.00 0.00 175.55 173.97 1vln s PRO 13 N 0.89 3.19 -1.11 4.97 0.02 -1.26 -4.92 135.00 136.77 1vln s PRO 13 Ca -0.02 0.41 -0.06 0.00 0.02 0.00 0.00 61.00 61.35 1vln s PRO 13 Cb -0.15 -4.17 0.29 0.00 0.02 0.00 0.00 34.50 30.48 1vln s PRO 13 CO 0.00 -2.08 1.46 0.09 -0.33 0.00 0.00 177.00 176.14 1vln n ASN 14 N 10.04 6.10 0.12 2.53 4.13 -1.26 -4.85 115.26 132.06 1vln n ASN 14 Ca 0.13 -3.30 0.16 0.00 1.68 0.00 0.00 54.58 53.24 1vln n ASN 14 Cb 0.49 -1.32 0.70 0.00 -1.54 0.00 0.00 39.78 38.12 1vln n ASN 14 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 1vln h THR 15 N 3.53 0.76 0.00 3.41 1.35 -1.83 -1.86 112.91 118.28 1vln h THR 15 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.08 1vln h THR 15 Cb 0.67 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 67.93 1vln h THR 15 CO 1.31 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 175.68 1vln n ASP 16 N -4.31 0.03 -0.18 5.36 5.75 -1.26 -2.24 116.55 119.70 1vln n ASP 16 Ca 0.04 0.51 0.07 0.00 -0.01 0.00 0.00 54.79 55.40 1vln n ASP 16 Cb 0.39 -0.51 0.10 0.00 -1.03 0.00 0.00 41.12 40.07 1vln n ASP 16 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 1vln n ILE 17 N -1.53 1.40 0.00 2.12 -5.35 -0.72 -5.00 119.36 110.28 1vln n ILE 17 Ca 0.02 -1.68 0.00 0.00 -0.27 0.00 0.00 62.75 60.82 1vln n ILE 17 Cb 0.10 -0.05 0.00 0.00 -1.74 0.00 0.00 39.64 37.95 1vln n ILE 17 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1vln n GLY 18 N -1.07 0.59 3.77 3.28 0.00 -0.95 -4.75 105.19 106.06 1vln n GLY 18 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 1vln n GLY 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1vln s ASP 19 N -1.99 6.26 0.96 1.61 1.11 -1.10 -4.96 116.67 118.56 1vln s ASP 19 Ca 0.00 2.42 -0.12 0.00 0.18 0.00 0.00 52.55 55.03 1vln s ASP 19 Cb 0.00 -2.62 0.16 0.00 1.07 0.00 0.00 42.92 41.54 1vln s ASP 19 CO 0.00 -0.86 1.09 -2.84 1.18 0.00 0.00 175.17 173.74 1vln s PRO 20 N -2.47 0.75 -0.08 8.23 0.02 -1.26 -4.08 135.00 136.11 1vln s PRO 20 Ca 0.60 0.94 0.00 0.00 0.02 0.00 0.00 61.00 62.57 1vln s PRO 20 Cb -0.32 -1.74 0.09 0.00 0.02 0.00 0.00 34.50 32.55 1vln s PRO 20 CO 0.40 -2.62 1.38 -1.13 -0.33 0.00 0.00 177.00 174.70 1vln n SER 21 N -4.16 3.85 -3.65 2.53 3.41 -1.26 -4.59 113.62 109.74 1vln n SER 21 Ca 0.07 -2.34 -0.09 0.00 -0.26 0.00 0.00 58.87 56.24 1vln n SER 21 Cb 0.55 -0.71 -0.02 0.00 -0.26 0.00 0.00 64.21 63.77 1vln n SER 21 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1vln s TYR 22 N -0.51 -0.35 0.55 7.33 -0.85 -1.26 -4.97 117.35 117.29 1vln s TYR 22 Ca 0.09 0.01 -0.21 0.00 -0.52 0.00 0.00 57.07 56.45 1vln s TYR 22 Cb 0.07 0.63 -0.05 0.00 0.38 0.00 0.00 41.96 43.00 1vln s TYR 22 CO 0.01 -1.05 1.24 -1.25 -1.52 0.00 0.00 175.55 172.98 1vln s PRO 23 N -3.84 3.20 0.32 -3.49 0.04 -1.26 -4.63 135.00 125.35 1vln s PRO 23 Ca 0.06 1.92 -0.18 0.00 0.04 0.00 0.00 61.00 62.84 1vln s PRO 23 Cb -0.04 -2.13 0.03 0.00 0.04 0.00 0.00 34.50 32.41 1vln s PRO 23 CO -0.03 -1.05 0.73 -3.38 0.04 0.00 0.00 177.00 173.32 1vln s HIS 24 N -1.50 -0.02 0.00 0.56 -3.43 -0.70 -1.60 115.29 108.60 1vln s HIS 24 Ca 0.73 -0.52 0.06 0.00 -0.80 0.00 0.00 55.06 54.52 1vln s HIS 24 Cb -0.33 0.73 -0.03 0.00 -1.43 0.00 0.00 32.58 31.52 1vln s HIS 24 CO 0.37 -1.36 -0.17 0.96 -2.00 0.00 0.00 174.74 172.53 1vln s ILE 25 N -3.25 2.82 0.13 -5.38 -4.36 -0.47 -0.87 121.20 109.82 1vln s ILE 25 Ca 0.14 -1.00 -0.09 0.00 -0.26 0.00 0.00 60.65 59.44 1vln s ILE 25 Cb -0.05 -2.14 -0.01 0.00 1.25 0.00 0.00 42.46 41.52 1vln s ILE 25 CO 0.09 0.46 0.23 -0.83 0.24 0.00 0.00 174.94 175.14 1vln s GLY 26 N -1.08 0.31 -0.29 6.27 0.00 -0.66 -1.09 107.32 110.77 1vln s GLY 26 Ca 0.13 -0.77 -0.08 0.00 0.00 0.00 0.00 44.72 44.00 1vln s GLY 26 CO 0.03 -0.83 0.09 -0.42 0.00 0.00 0.00 173.10 171.97 1vln s ILE 27 N -3.92 4.20 -0.25 0.90 -1.09 -0.70 -1.23 121.20 119.11 1vln s ILE 27 Ca 0.11 -0.49 -0.03 0.00 -2.23 0.00 0.00 60.65 58.02 1vln s ILE 27 Cb 0.04 -3.10 0.02 0.00 -1.58 0.00 0.00 42.46 37.84 1vln s ILE 27 CO -0.05 0.15 -0.04 -1.81 -1.23 0.00 0.00 174.94 171.96 1vln s ASP 28 N 1.56 4.39 -0.36 3.58 1.01 0.79 -0.15 116.67 127.48 1vln s ASP 28 Ca 0.04 -0.74 -0.05 0.00 0.71 0.00 0.00 52.55 52.51 1vln s ASP 28 Cb -0.17 -1.70 0.07 0.00 1.01 0.00 0.00 42.92 42.13 1vln s ASP 28 CO 0.04 -0.11 0.14 -0.63 0.21 0.00 0.00 175.17 174.81 1vln s ILE 29 N 1.38 3.53 0.00 0.77 1.09 -1.26 -0.69 121.20 126.03 1vln s ILE 29 Ca 0.02 -1.50 0.00 0.00 -1.10 0.00 0.00 60.65 58.07 1vln s ILE 29 Cb -0.16 -3.15 0.00 0.00 -1.06 0.00 0.00 42.46 38.08 1vln s ILE 29 CO -0.04 -0.37 0.00 0.29 -0.10 0.00 0.00 174.94 174.73 1vln n LYS 30 N 4.73 0.00 -3.83 2.79 5.02 -0.17 -4.90 118.16 121.80 1vln n LYS 30 Ca -0.09 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.09 1vln n LYS 30 Cb 0.43 -4.35 -0.08 0.00 -0.02 0.00 0.00 35.03 31.01 1vln n LYS 30 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1vln s SER 31 N -2.03 0.01 0.44 4.39 0.15 -1.26 -4.93 113.70 110.46 1vln s SER 31 Ca 0.00 -0.36 0.27 0.00 0.70 0.00 0.00 55.95 56.56 1vln s SER 31 Cb 0.00 0.31 0.83 0.00 -1.71 0.00 0.00 66.02 65.44 1vln s SER 31 CO 0.00 -0.59 1.78 1.62 1.20 0.00 0.00 173.24 177.25 1vln h VAL 32 N 3.33 0.00 -1.99 4.45 3.04 -1.89 -3.39 116.25 119.80 1vln h VAL 32 Ca -0.32 -0.70 -0.65 0.00 -1.01 0.00 0.00 66.70 64.02 1vln h VAL 32 Cb 1.19 1.67 -0.15 0.00 -2.01 0.00 0.00 31.29 32.00 1vln h VAL 32 CO 0.49 0.00 1.04 -0.13 -1.01 0.00 0.00 177.57 177.95 1vln s ARG 33 N -3.38 3.55 0.25 4.17 0.52 -1.26 -4.99 118.95 117.81 1vln s ARG 33 Ca 0.05 -1.45 -0.26 0.00 -0.52 0.00 0.00 55.73 53.55 1vln s ARG 33 Cb 0.08 -5.00 -0.16 0.00 0.52 0.00 0.00 34.95 30.38 1vln s ARG 33 CO 0.59 -1.93 0.41 0.43 0.02 0.00 0.00 175.30 174.82 1vln n SER 34 N 7.46 -1.63 0.13 0.23 7.64 -1.26 -4.87 113.62 121.32 1vln n SER 34 Ca 0.25 1.04 -0.00 0.00 1.01 0.00 0.00 58.87 61.16 1vln n SER 34 Cb 0.49 -0.92 0.11 0.00 -1.01 0.00 0.00 64.21 62.89 1vln n SER 34 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1vln h LYS 35 N 0.82 0.00 -2.46 1.43 1.79 -0.89 -3.46 116.57 113.80 1vln h LYS 35 Ca -0.30 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.09 1vln h LYS 35 Cb 1.42 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 31.87 1vln h LYS 35 CO 0.54 0.64 -0.03 0.21 -1.08 0.00 0.00 179.45 179.72 1vln s LYS 36 N -3.26 0.83 0.17 3.15 2.47 -1.25 -5.03 119.74 116.82 1vln s LYS 36 Ca 0.01 0.20 -0.04 0.00 -1.56 0.00 0.00 55.97 54.57 1vln s LYS 36 Cb 0.11 0.39 -0.03 0.00 -1.46 0.00 0.00 37.83 36.84 1vln s LYS 36 CO 0.76 -0.23 0.18 0.95 0.16 0.00 0.00 175.35 177.17 1vln s THR 37 N -0.94 0.05 -0.01 3.43 -4.23 -1.26 -1.72 115.64 110.96 1vln s THR 37 Ca -0.10 -1.75 -0.09 0.00 -1.18 0.00 0.00 61.69 58.57 1vln s THR 37 Cb -0.03 -2.13 0.01 0.00 1.34 0.00 0.00 72.50 71.69 1vln s THR 37 CO 0.06 -0.25 0.18 0.00 -0.54 0.00 0.00 174.62 174.07 1vln s ALA 38 N -4.06 -0.44 0.40 3.99 0.00 -0.25 -4.97 121.76 116.43 1vln s ALA 38 Ca 0.26 0.05 -0.26 0.00 0.00 0.00 0.00 51.96 52.01 1vln s ALA 38 Cb 0.05 0.05 -0.09 0.00 0.00 0.00 0.00 23.12 23.14 1vln s ALA 38 CO 0.05 -0.21 1.23 0.21 0.00 0.00 0.00 175.76 177.04 1vln s LYS 39 N -1.19 4.04 -0.20 0.00 2.20 -1.26 -1.37 119.74 121.96 1vln s LYS 39 Ca -0.13 1.99 -0.02 0.00 -0.36 0.00 0.00 55.97 57.46 1vln s LYS 39 Cb -0.06 -2.74 0.06 0.00 -1.51 0.00 0.00 37.83 33.57 1vln s LYS 39 CO 0.02 -0.38 0.01 -0.46 -0.36 0.00 0.00 175.35 174.18 1vln s TRP 40 N -1.32 1.32 -1.23 4.03 -0.00 -0.62 -4.76 118.94 116.36 1vln s TRP 40 Ca 0.56 -1.03 -0.20 0.00 -0.00 0.00 0.00 56.10 55.43 1vln s TRP 40 Cb -0.34 -1.14 0.02 0.00 -0.00 0.00 0.00 33.47 32.00 1vln s TRP 40 CO 0.44 -0.64 1.77 1.21 -0.00 0.00 0.00 176.95 179.73 1vln s ASN 41 N 1.76 6.25 0.54 5.86 2.47 -1.26 -4.49 114.94 126.06 1vln s ASN 41 Ca -0.02 -2.07 -0.22 0.00 0.42 0.00 0.00 52.86 50.97 1vln s ASN 41 Cb -0.17 -2.58 -0.05 0.00 -1.45 0.00 0.00 41.25 36.99 1vln s ASN 41 CO -0.07 -1.78 1.35 0.80 -3.72 0.00 0.00 177.10 173.67 1vln n MET 42 N 8.43 1.73 -3.79 0.43 0.00 -1.26 -5.00 117.12 117.66 1vln n MET 42 Ca 0.46 0.63 -0.30 0.00 -0.00 0.00 0.00 57.70 58.49 1vln n MET 42 Cb 0.47 -2.56 -0.13 0.00 0.00 0.00 0.00 33.22 30.99 1vln n MET 42 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1vln s GLN 43 N -2.82 1.46 -0.16 2.12 -0.21 -1.26 -5.10 119.66 113.69 1vln s GLN 43 Ca 0.70 -2.13 -0.40 0.00 0.02 0.00 0.00 55.36 53.56 1vln s GLN 43 Cb -0.42 -2.63 -0.17 0.00 1.00 0.00 0.00 33.01 30.79 1vln s GLN 43 CO 0.50 -1.13 1.52 -1.71 -2.12 0.00 0.00 175.29 172.35 1vln n ASN 44 N 3.51 1.75 0.00 5.90 2.85 -1.26 -1.75 115.26 126.26 1vln n ASN 44 Ca 0.07 1.11 0.00 0.00 -0.11 0.00 0.00 54.58 55.65 1vln n ASN 44 Cb 0.34 -1.10 0.00 0.00 1.24 0.00 0.00 39.78 40.26 1vln n ASN 44 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1vln n GLY 45 N 3.34 1.96 3.90 8.20 0.00 -0.60 -4.99 105.19 117.00 1vln n GLY 45 Ca 0.24 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 1vln n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vln s LYS 46 N -0.38 3.58 0.04 1.61 -0.14 -0.72 -4.94 119.74 118.79 1vln s LYS 46 Ca 0.00 -0.16 -0.24 0.00 -1.36 0.00 0.00 55.97 54.21 1vln s LYS 46 Cb 0.00 -2.88 -0.06 0.00 -1.68 0.00 0.00 37.83 33.21 1vln s LYS 46 CO 0.00 0.49 0.73 0.08 -0.76 0.00 0.00 175.35 175.89 1vln s VAL 47 N -1.64 4.75 0.35 3.17 1.01 -1.26 -4.27 120.40 122.51 1vln s VAL 47 Ca 0.40 1.55 0.04 0.00 0.00 0.00 0.00 61.98 63.97 1vln s VAL 47 Cb -0.12 -4.08 -0.06 0.00 0.00 0.00 0.00 36.38 32.12 1vln s VAL 47 CO 0.25 0.38 0.06 -0.83 0.00 0.00 0.00 175.10 174.97 1vln s GLY 48 N -0.14 2.23 0.00 4.51 0.00 -0.41 -4.63 107.32 108.88 1vln s GLY 48 Ca 0.37 -1.87 0.05 0.00 0.00 0.00 0.00 44.72 43.27 1vln s GLY 48 CO 0.22 -1.85 -0.16 -1.59 0.00 0.00 0.00 173.10 169.71 1vln s THR 49 N -3.23 1.30 -0.08 0.90 2.01 -0.71 -0.83 115.64 115.01 1vln s THR 49 Ca 0.33 -0.79 0.05 0.00 0.31 0.00 0.00 61.69 61.59 1vln s THR 49 Cb 0.08 -1.10 -0.00 0.00 0.01 0.00 0.00 72.50 71.48 1vln s THR 49 CO 0.15 0.30 -0.23 0.00 -0.69 0.00 0.00 174.62 174.15 1vln s ALA 50 N -0.49 2.03 -0.15 7.40 0.00 0.61 -1.97 121.76 129.19 1vln s ALA 50 Ca 0.06 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 51.10 1vln s ALA 50 Cb -0.07 -0.71 0.03 0.00 0.00 0.00 0.00 23.12 22.37 1vln s ALA 50 CO -0.00 0.32 -0.11 -1.58 0.00 0.00 0.00 175.76 174.39 1vln s HIS 51 N 0.15 1.99 -0.08 0.00 5.04 -0.60 -2.07 115.29 119.71 1vln s HIS 51 Ca -0.11 -1.14 0.01 0.00 -1.54 0.00 0.00 55.06 52.28 1vln s HIS 51 Cb -0.16 -1.48 -0.02 0.00 0.04 0.00 0.00 32.58 30.96 1vln s HIS 51 CO 0.06 -0.64 -0.11 0.42 -2.34 0.00 0.00 174.74 172.13 1vln s ILE 52 N 1.54 3.29 0.03 0.89 1.09 -0.22 -1.28 121.20 126.54 1vln s ILE 52 Ca 0.04 -0.62 -0.00 0.00 -1.10 0.00 0.00 60.65 58.96 1vln s ILE 52 Cb -0.14 -2.34 -0.03 0.00 -1.06 0.00 0.00 42.46 38.90 1vln s ILE 52 CO -0.09 0.57 -0.03 0.27 -0.10 0.00 0.00 174.94 175.56 1vln s ILE 53 N -0.38 0.14 -0.21 2.92 -4.36 -0.02 -0.57 121.20 118.73 1vln s ILE 53 Ca 0.05 -1.18 -0.27 0.00 -0.26 0.00 0.00 60.65 58.99 1vln s ILE 53 Cb -0.12 -0.65 0.07 0.00 1.25 0.00 0.00 42.46 43.01 1vln s ILE 53 CO 0.02 -0.65 0.72 -0.47 0.24 0.00 0.00 174.94 174.80 1vln s TYR 54 N -2.22 -0.74 0.01 1.37 6.14 -0.84 -1.81 117.35 119.25 1vln s TYR 54 Ca -0.09 1.67 -0.05 0.00 0.64 0.00 0.00 57.07 59.25 1vln s TYR 54 Cb -0.04 0.31 -0.01 0.00 0.42 0.00 0.00 41.96 42.64 1vln s TYR 54 CO -0.04 -0.44 0.08 0.54 0.64 0.00 0.00 175.55 176.33 1vln s ASN 55 N -0.09 0.11 0.00 4.32 2.20 -1.26 -1.20 114.94 119.01 1vln s ASN 55 Ca -0.03 -0.32 0.26 0.00 -0.94 0.00 0.00 52.86 51.83 1vln s ASN 55 Cb -0.04 0.17 1.29 0.00 -2.00 0.00 0.00 41.25 40.68 1vln s ASN 55 CO 0.03 -0.35 1.87 -1.54 -2.94 0.00 0.00 177.10 174.18 1vln n SER 56 N 1.48 0.00 -0.06 3.54 3.41 0.45 -0.94 113.62 121.50 1vln n SER 56 Ca -0.23 -0.05 -0.05 0.00 -0.26 0.00 0.00 58.87 58.28 1vln n SER 56 Cb 0.55 -0.30 -0.04 0.00 -0.26 0.00 0.00 64.21 64.16 1vln n SER 56 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1vln h VAL 57 N 0.00 0.56 0.00 -3.33 2.07 -1.88 -3.38 116.25 110.29 1vln h VAL 57 Ca 0.00 -1.44 -0.21 0.00 0.82 0.00 0.00 66.70 65.87 1vln h VAL 57 Cb 0.26 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 1vln h VAL 57 CO 0.00 0.19 -1.07 0.44 0.02 0.00 0.00 177.57 177.15 1vln h ASP 58 N -1.00 0.00 -5.98 0.57 3.32 -1.98 -3.48 116.42 107.87 1vln h ASP 58 Ca -0.01 0.00 -0.40 0.00 0.02 0.00 0.00 57.03 56.64 1vln h ASP 58 Cb 0.38 0.00 0.08 0.00 0.22 0.00 0.00 39.33 40.02 1vln h ASP 58 CO -0.01 0.95 -0.82 0.29 -1.72 0.00 0.00 179.24 177.94 1vln n LYS 59 N -3.29 -5.28 -3.79 3.56 5.02 -0.12 -4.91 118.16 109.34 1vln n LYS 59 Ca -0.02 0.67 -0.27 0.00 -2.02 0.00 0.00 58.31 56.68 1vln n LYS 59 Cb 0.94 -5.34 -0.17 0.00 -0.02 0.00 0.00 35.03 30.44 1vln n LYS 59 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1vln s ARG 60 N -5.82 0.89 -0.24 1.97 3.52 -1.26 -1.39 118.95 116.62 1vln s ARG 60 Ca 0.00 -0.33 -0.26 0.00 -0.13 0.00 0.00 55.73 55.02 1vln s ARG 60 Cb -0.00 -1.80 -0.00 0.00 -1.56 0.00 0.00 34.95 31.59 1vln s ARG 60 CO 0.79 -0.49 0.88 -1.17 -0.81 0.00 0.00 175.30 174.50 1vln s LEU 61 N 1.81 4.08 0.07 -0.88 2.96 0.19 -4.43 118.68 122.48 1vln s LEU 61 Ca 0.01 1.12 0.07 0.00 -0.22 0.00 0.00 54.13 55.11 1vln s LEU 61 Cb -0.15 -3.28 -0.03 0.00 0.50 0.00 0.00 46.19 43.23 1vln s LEU 61 CO -0.07 -0.56 -0.19 -0.44 -1.32 0.00 0.00 176.35 173.77 1vln s SER 62 N 1.31 2.25 -0.03 3.68 0.01 -0.75 -1.29 113.70 118.87 1vln s SER 62 Ca 0.37 -0.58 -0.05 0.00 1.31 0.00 0.00 55.95 57.00 1vln s SER 62 Cb -0.15 -0.14 0.01 0.00 0.21 0.00 0.00 66.02 65.94 1vln s SER 62 CO 0.07 0.07 0.11 0.00 0.41 0.00 0.00 173.24 173.91 1vln s ALA 63 N -1.00 -0.28 0.08 1.44 0.00 -0.53 -0.84 121.76 120.64 1vln s ALA 63 Ca 0.05 0.18 0.07 0.00 0.00 0.00 0.00 51.96 52.26 1vln s ALA 63 Cb -0.09 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 1vln s ALA 63 CO 0.03 -0.09 -0.19 0.08 0.00 0.00 0.00 175.76 175.58 1vln s VAL 64 N -0.33 1.56 -0.02 0.00 1.01 -0.41 -1.74 120.40 120.47 1vln s VAL 64 Ca -0.04 -1.42 -0.00 0.00 0.00 0.00 0.00 61.98 60.52 1vln s VAL 64 Cb -0.03 -1.42 0.03 0.00 0.00 0.00 0.00 36.38 34.96 1vln s VAL 64 CO 0.00 -0.05 0.04 -0.69 0.00 0.00 0.00 175.10 174.40 1vln s VAL 65 N -1.11 -0.05 0.27 2.92 1.01 -0.13 -1.56 120.40 121.76 1vln s VAL 65 Ca 0.05 0.18 -0.12 0.00 0.00 0.00 0.00 61.98 62.09 1vln s VAL 65 Cb -0.10 -0.09 0.00 0.00 0.00 0.00 0.00 36.38 36.19 1vln s VAL 65 CO 0.03 0.07 0.50 -0.94 0.00 0.00 0.00 175.10 174.76 1vln s SER 66 N 0.90 0.06 0.07 3.32 1.04 -0.83 -0.49 113.70 117.76 1vln s SER 66 Ca -0.07 -1.02 0.05 0.00 0.48 0.00 0.00 55.95 55.38 1vln s SER 66 Cb -0.10 0.61 -0.03 0.00 0.10 0.00 0.00 66.02 66.60 1vln s SER 66 CO -0.03 -1.20 -0.13 -0.31 0.98 0.00 0.00 173.24 172.56 1vln s TYR 67 N -3.78 1.11 0.14 5.02 2.02 -1.26 -1.74 117.35 118.86 1vln s TYR 67 Ca 0.23 -0.48 -0.34 0.00 -0.37 0.00 0.00 57.07 56.12 1vln s TYR 67 Cb -0.01 -0.63 -0.17 0.00 -0.40 0.00 0.00 41.96 40.75 1vln s TYR 67 CO 0.11 0.03 1.03 -2.30 -1.57 0.00 0.00 175.55 172.85 1vln n PRO 68 N 1.25 0.70 -4.12 -1.71 -0.02 -1.26 -2.33 135.00 127.50 1vln n PRO 68 Ca -0.21 0.25 -0.30 0.00 -2.02 0.00 0.00 63.50 61.22 1vln n PRO 68 Cb 0.54 -1.66 -0.07 0.00 -0.02 0.00 0.00 33.50 32.29 1vln n PRO 68 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1vln n ASN 69 N 1.90 0.11 -3.60 2.55 6.94 -1.26 -4.95 115.26 116.94 1vln n ASN 69 Ca 0.17 -1.15 -0.21 0.00 -0.02 0.00 0.00 54.58 53.37 1vln n ASN 69 Cb 0.21 -1.42 -0.08 0.00 -2.36 0.00 0.00 39.78 36.12 1vln n ASN 69 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1vln s ALA 70 N -4.15 2.10 0.13 -2.53 0.00 -0.99 -5.15 121.76 111.17 1vln s ALA 70 Ca 0.07 -1.83 -0.20 0.00 0.00 0.00 0.00 51.96 50.01 1vln s ALA 70 Cb -0.04 1.29 -0.07 0.00 0.00 0.00 0.00 23.12 24.29 1vln s ALA 70 CO 0.89 -0.58 0.63 -0.51 0.00 0.00 0.00 175.76 176.20 1vln s ASP 71 N -3.42 7.10 0.61 0.00 1.01 -1.26 -4.80 116.67 115.90 1vln s ASP 71 Ca 0.36 1.34 -0.06 0.00 0.71 0.00 0.00 52.55 54.90 1vln s ASP 71 Cb 0.03 -2.39 0.01 0.00 1.01 0.00 0.00 42.92 41.58 1vln s ASP 71 CO 0.23 0.20 0.92 -0.94 0.21 0.00 0.00 175.17 175.80 1vln s SER 72 N -1.29 5.49 0.01 0.27 1.04 -1.26 -4.66 113.70 113.30 1vln s SER 72 Ca 0.34 0.70 0.07 0.00 0.48 0.00 0.00 55.95 57.54 1vln s SER 72 Cb -0.19 -1.64 -0.03 0.00 0.10 0.00 0.00 66.02 64.26 1vln s SER 72 CO 0.21 -1.14 -0.22 0.00 0.98 0.00 0.00 173.24 173.07 1vln s ALA 73 N -3.04 2.40 0.01 5.32 0.00 0.36 -4.94 121.76 121.88 1vln s ALA 73 Ca 0.55 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 51.36 1vln s ALA 73 Cb -0.11 -0.67 -0.01 0.00 0.00 0.00 0.00 23.12 22.34 1vln s ALA 73 CO 0.45 0.55 -0.02 0.99 0.00 0.00 0.00 175.76 177.73 1vln s THR 74 N -0.77 0.10 -0.13 0.00 2.01 -1.26 -0.95 115.64 114.63 1vln s THR 74 Ca 0.12 -0.51 -0.13 0.00 0.31 0.00 0.00 61.69 61.48 1vln s THR 74 Cb -0.10 -0.18 0.04 0.00 0.01 0.00 0.00 72.50 72.26 1vln s THR 74 CO 0.02 -0.26 0.37 0.54 -0.69 0.00 0.00 174.62 174.60 1vln s VAL 75 N -0.79 0.00 0.07 3.82 0.11 -0.71 -4.74 120.40 118.16 1vln s VAL 75 Ca -0.08 -0.02 0.01 0.00 -2.93 0.00 0.00 61.98 58.96 1vln s VAL 75 Cb -0.06 -0.53 -0.03 0.00 -1.53 0.00 0.00 36.38 34.23 1vln s VAL 75 CO -0.00 -0.01 -0.06 -0.44 -3.33 0.00 0.00 175.10 171.26 1vln s SER 76 N 0.12 0.83 -0.25 3.54 0.01 -1.26 -1.45 113.70 115.23 1vln s SER 76 Ca -0.01 -0.84 -0.17 0.00 1.31 0.00 0.00 55.95 56.25 1vln s SER 76 Cb -0.03 0.11 0.07 0.00 0.21 0.00 0.00 66.02 66.38 1vln s SER 76 CO 0.01 -0.42 0.64 -0.47 0.41 0.00 0.00 173.24 173.41 1vln s TYR 77 N -2.92 -0.91 -0.34 2.43 5.04 -0.42 -4.91 117.35 115.33 1vln s TYR 77 Ca 0.02 1.91 -0.24 0.00 -2.44 0.00 0.00 57.07 56.32 1vln s TYR 77 Cb 0.01 0.48 0.01 0.00 0.35 0.00 0.00 41.96 42.81 1vln s TYR 77 CO -0.04 -0.46 0.83 -0.51 -1.34 0.00 0.00 175.55 174.03 1vln s ASP 78 N 1.29 6.65 -0.14 4.32 1.11 -1.26 -0.64 116.67 127.99 1vln s ASP 78 Ca -0.07 0.57 -0.07 0.00 0.18 0.00 0.00 52.55 53.15 1vln s ASP 78 Cb -0.05 -2.42 0.05 0.00 1.07 0.00 0.00 42.92 41.57 1vln s ASP 78 CO -0.14 -0.72 0.34 0.54 1.18 0.00 0.00 175.17 176.37 1vln s VAL 79 N 3.15 -0.06 -0.68 -1.27 0.11 -0.48 -4.99 120.40 116.18 1vln s VAL 79 Ca 0.34 0.12 -0.21 0.00 -2.93 0.00 0.00 61.98 59.31 1vln s VAL 79 Cb -0.13 -0.51 0.09 0.00 -1.53 0.00 0.00 36.38 34.30 1vln s VAL 79 CO 0.15 0.05 0.90 -0.62 -3.33 0.00 0.00 175.10 172.26 1vln s ASP 80 N 1.41 6.25 0.18 3.54 -1.08 -1.26 -4.39 116.67 121.32 1vln s ASP 80 Ca -0.09 -1.31 0.17 0.00 -0.52 0.00 0.00 52.55 50.80 1vln s ASP 80 Cb -0.09 -2.38 0.79 0.00 -1.46 0.00 0.00 42.92 39.78 1vln s ASP 80 CO -0.11 -1.27 1.51 0.18 0.52 0.00 0.00 175.17 176.00 1vln n LEU 81 N 7.04 0.39 0.23 -1.34 4.77 -1.26 -1.83 117.00 125.01 1vln n LEU 81 Ca -0.01 0.63 0.08 0.00 -0.03 0.00 0.00 56.01 56.68 1vln n LEU 81 Cb 0.45 -0.63 0.57 0.00 -2.33 0.00 0.00 43.42 41.48 1vln n LEU 81 CO 0.60 -0.62 0.90 0.44 -1.33 0.00 0.00 177.39 177.38 1vln h ASP 82 N 0.00 0.00 -0.67 -1.43 3.32 -1.90 -0.57 116.42 115.17 1vln h ASP 82 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1vln h ASP 82 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1vln h ASP 82 CO 0.00 0.19 0.00 0.59 -1.72 0.00 0.00 179.24 178.30 1vln n ASN 83 N -4.02 3.80 0.00 6.45 3.02 -0.76 -4.57 115.26 119.18 1vln n ASN 83 Ca -0.02 -2.00 0.00 0.00 -0.03 0.00 0.00 54.58 52.53 1vln n ASN 83 Cb 0.27 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 38.99 1vln n ASN 83 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1vln n VAL 84 N 1.48 0.00 -4.09 2.41 0.31 -0.88 -5.10 118.33 112.46 1vln n VAL 84 Ca 0.23 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.27 1vln n VAL 84 Cb 0.59 -0.85 -0.06 0.00 -0.91 0.00 0.00 33.84 32.61 1vln n VAL 84 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1vln s LEU 85 N -5.24 3.69 0.86 7.52 1.43 -0.28 -5.00 118.68 121.66 1vln s LEU 85 Ca 0.00 -0.13 -0.12 0.00 -1.03 0.00 0.00 54.13 52.85 1vln s LEU 85 Cb 0.00 -2.34 0.10 0.00 0.03 0.00 0.00 46.19 43.98 1vln s LEU 85 CO 0.00 0.12 1.10 -2.16 0.23 0.00 0.00 176.35 175.64 1vln s PRO 86 N -2.75 1.59 0.20 1.29 0.04 -1.26 -4.77 135.00 129.35 1vln s PRO 86 Ca 0.29 0.70 -0.09 0.00 0.04 0.00 0.00 61.00 61.94 1vln s PRO 86 Cb -0.11 -1.86 0.13 0.00 0.04 0.00 0.00 34.50 32.70 1vln s PRO 86 CO 0.22 -1.98 1.76 0.93 0.04 0.00 0.00 177.00 177.97 1vln h GLU 87 N -1.35 1.11 -5.18 4.56 5.08 -1.94 -3.41 114.58 113.44 1vln h GLU 87 Ca -0.49 -0.21 -0.64 0.00 -1.00 0.00 0.00 59.36 57.02 1vln h GLU 87 Cb 1.28 -0.17 -0.22 0.00 0.50 0.00 0.00 28.75 30.13 1vln h GLU 87 CO 0.57 0.92 -0.66 -1.58 -1.00 0.00 0.00 179.01 177.26 1vln s TRP 88 N -5.52 3.04 0.03 4.33 0.52 -1.26 -0.80 118.94 119.27 1vln s TRP 88 Ca -0.12 -0.40 0.00 0.00 0.02 0.00 0.00 56.10 55.60 1vln s TRP 88 Cb 0.15 -2.05 -0.00 0.00 -1.15 0.00 0.00 33.47 30.42 1vln s TRP 88 CO 0.83 -0.17 0.02 1.33 0.02 0.00 0.00 176.95 178.98 1vln n VAL 89 N 4.02 0.00 -3.90 4.03 0.24 -0.35 -4.42 118.33 117.95 1vln n VAL 89 Ca -0.17 -0.17 -0.12 0.00 -2.04 0.00 0.00 64.34 61.84 1vln n VAL 89 Cb 0.52 0.07 -0.14 0.00 -1.47 0.00 0.00 33.84 32.83 1vln n VAL 89 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1vln s ARG 90 N -2.10 0.05 0.05 7.34 0.52 0.74 -1.20 118.95 124.36 1vln s ARG 90 Ca 0.02 -0.07 0.02 0.00 -0.52 0.00 0.00 55.73 55.18 1vln s ARG 90 Cb 0.00 -0.01 -0.04 0.00 0.52 0.00 0.00 34.95 35.42 1vln s ARG 90 CO 0.02 0.00 0.08 0.14 0.02 0.00 0.00 175.30 175.56 1vln s VAL 91 N -0.14 4.62 0.15 3.52 -7.23 -1.26 -0.52 120.40 119.53 1vln s VAL 91 Ca -0.01 -0.64 -0.08 0.00 -1.81 0.00 0.00 61.98 59.44 1vln s VAL 91 Cb -0.01 -3.19 0.03 0.00 0.56 0.00 0.00 36.38 33.77 1vln s VAL 91 CO -0.00 0.20 0.39 0.61 -0.31 0.00 0.00 175.10 175.98 1vln n GLY 92 N 0.69 1.38 3.04 2.32 0.00 -0.43 -2.06 105.19 110.13 1vln n GLY 92 Ca -0.10 -1.09 -0.24 0.00 0.00 0.00 0.00 46.02 44.59 1vln n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vln s LEU 93 N 0.00 1.73 0.22 0.99 1.43 -0.39 -1.98 118.68 120.68 1vln s LEU 93 Ca 0.08 -0.29 0.10 0.00 -1.03 0.00 0.00 54.13 52.99 1vln s LEU 93 Cb -0.02 -0.80 -0.05 0.00 0.03 0.00 0.00 46.19 45.35 1vln s LEU 93 CO 0.04 0.07 -0.18 -0.44 0.23 0.00 0.00 176.35 176.07 1vln s SER 94 N 0.42 3.06 0.15 2.29 0.01 -0.20 -1.70 113.70 117.73 1vln s SER 94 Ca -0.10 -0.97 -0.24 0.00 1.31 0.00 0.00 55.95 55.96 1vln s SER 94 Cb -0.13 -0.21 0.07 0.00 0.21 0.00 0.00 66.02 65.95 1vln s SER 94 CO 0.03 -0.03 0.66 0.00 0.41 0.00 0.00 173.24 174.31 1vln s ALA 95 N -2.45 -1.58 0.09 1.44 0.00 -1.10 -0.44 121.76 117.71 1vln s ALA 95 Ca 0.23 0.44 -0.26 0.00 0.00 0.00 0.00 51.96 52.38 1vln s ALA 95 Cb -0.04 0.82 0.08 0.00 0.00 0.00 0.00 23.12 23.97 1vln s ALA 95 CO 0.10 -0.80 0.81 -1.54 0.00 0.00 0.00 175.76 174.33 1vln s SER 96 N -2.74 -0.37 0.09 0.00 1.04 -1.17 -2.98 113.70 107.55 1vln s SER 96 Ca 0.03 -0.13 0.01 0.00 0.48 0.00 0.00 55.95 56.35 1vln s SER 96 Cb -0.02 0.49 -0.04 0.00 0.10 0.00 0.00 66.02 66.55 1vln s SER 96 CO -0.09 -0.83 -0.06 0.42 0.98 0.00 0.00 173.24 173.65 1vln s THR 97 N -3.39 0.63 0.00 2.02 -4.23 -0.51 -0.51 115.64 109.66 1vln s THR 97 Ca 0.06 -1.84 0.00 0.00 -1.18 0.00 0.00 61.69 58.73 1vln s THR 97 Cb -0.01 -1.56 0.00 0.00 1.34 0.00 0.00 72.50 72.27 1vln s THR 97 CO -0.07 -0.84 0.00 0.61 -0.54 0.00 0.00 174.62 173.79 1vln n GLY 98 N 0.12 3.92 0.32 3.99 0.00 -1.26 -2.82 105.19 109.46 1vln n GLY 98 Ca -0.13 -0.50 -0.06 0.00 0.00 0.00 0.00 46.02 45.33 1vln n GLY 98 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1vln h LEU 99 N 0.00 1.00-10.30 0.99 5.85 -1.96 -2.00 115.31 108.88 1vln h LEU 99 Ca 0.00 -0.15 -0.44 0.00 0.84 0.00 0.00 57.88 58.12 1vln h LEU 99 Cb 0.00 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.77 1vln h LEU 99 CO 0.00 0.87 -0.35 -0.31 -0.34 0.00 0.00 178.44 178.32 1vln s TYR 100 N -5.63 3.11 0.14 1.25 2.02 -1.26 -4.92 117.35 112.06 1vln s TYR 100 Ca -0.13 -0.22 -0.07 0.00 -0.37 0.00 0.00 57.07 56.28 1vln s TYR 100 Cb 0.15 -1.97 -0.01 0.00 -0.40 0.00 0.00 41.96 39.72 1vln s TYR 100 CO 0.82 0.01 0.22 -1.59 -1.57 0.00 0.00 175.55 173.44 1vln s LYS 101 N -4.16 1.06 0.04 -0.62 -2.85 -1.23 -4.53 119.74 107.45 1vln s LYS 101 Ca 0.45 -1.19 -0.28 0.00 -1.00 0.00 0.00 55.97 53.95 1vln s LYS 101 Cb -0.09 0.34 0.09 0.00 -2.06 0.00 0.00 37.83 36.11 1vln s LYS 101 CO 0.31 -0.36 0.90 -1.83 0.10 0.00 0.00 175.35 174.46 1vln s GLU 102 N -3.97 0.93 -0.11 1.78 -1.05 -1.21 -3.90 118.70 111.17 1vln s GLU 102 Ca 0.16 -0.40 -0.21 0.00 -0.15 0.00 0.00 54.97 54.38 1vln s GLU 102 Cb 0.04 0.39 -0.04 0.00 -0.44 0.00 0.00 34.13 34.09 1vln s GLU 102 CO -0.01 -0.41 0.61 0.95 0.95 0.00 0.00 175.26 177.34 1vln s THR 103 N -3.18 5.09 -0.95 1.83 -4.23 0.23 -4.78 115.64 109.66 1vln s THR 103 Ca 0.07 1.23 -0.02 0.00 -1.18 0.00 0.00 61.69 61.78 1vln s THR 103 Cb -0.01 -3.94 0.26 0.00 1.34 0.00 0.00 72.50 70.15 1vln s THR 103 CO -0.06 0.25 1.04 0.59 -0.54 0.00 0.00 174.62 175.90 1vln n ASN 104 N 3.95 5.00 -4.81 3.99 4.13 -1.26 -3.46 115.26 122.80 1vln n ASN 104 Ca -0.03 -3.24 -0.38 0.00 1.68 0.00 0.00 54.58 52.61 1vln n ASN 104 Cb 0.51 -1.11 -0.06 0.00 -1.54 0.00 0.00 39.78 37.58 1vln n ASN 104 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1vln s THR 105 N -1.94 5.13 -0.20 3.41 2.01 -0.96 -2.06 115.64 121.04 1vln s THR 105 Ca 0.31 0.77 -0.02 0.00 0.31 0.00 0.00 61.69 63.06 1vln s THR 105 Cb -0.01 -3.69 -0.00 0.00 0.01 0.00 0.00 72.50 68.81 1vln s THR 105 CO -0.04 0.52 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.70 1vln s ILE 106 N -0.62 3.09 -0.09 1.82 -1.09 0.39 -0.98 121.20 123.72 1vln s ILE 106 Ca 0.22 -0.60 0.11 0.00 -2.23 0.00 0.00 60.65 58.16 1vln s ILE 106 Cb -0.16 -2.37 -0.24 0.00 -1.58 0.00 0.00 42.46 38.11 1vln s ILE 106 CO 0.11 0.46 0.47 0.18 -1.23 0.00 0.00 174.94 174.93 1vln n LEU 107 N 4.53 0.96 -3.56 2.97 4.32 -0.56 -1.72 117.00 123.94 1vln n LEU 107 Ca -0.19 0.29 -0.09 0.00 -0.02 0.00 0.00 56.01 55.99 1vln n LEU 107 Cb 0.51 0.06 -0.02 0.00 -1.62 0.00 0.00 43.42 42.35 1vln n LEU 107 CO 0.29 0.48 0.50 -0.94 -1.22 0.00 0.00 177.39 176.50 1vln s SER 108 N -6.09 -0.43 -0.28 -1.43 1.04 -1.22 -4.52 113.70 100.77 1vln s SER 108 Ca -0.09 -0.17 -0.19 0.00 0.48 0.00 0.00 55.95 55.98 1vln s SER 108 Cb 0.07 0.58 0.11 0.00 0.10 0.00 0.00 66.02 66.88 1vln s SER 108 CO 0.81 -0.98 0.85 0.86 0.98 0.00 0.00 173.24 175.76 1vln s TRP 109 N -3.63 -0.75 0.03 5.02 -0.00 -0.71 -2.67 118.94 116.23 1vln s TRP 109 Ca 0.05 1.59 0.01 0.00 -0.00 0.00 0.00 56.10 57.75 1vln s TRP 109 Cb -0.02 0.44 -0.02 0.00 -0.00 0.00 0.00 33.47 33.86 1vln s TRP 109 CO -0.07 -0.37 -0.05 -1.12 -0.00 0.00 0.00 176.95 175.35 1vln s SER 110 N 1.09 0.47 -0.09 5.86 0.01 -0.16 -0.49 113.70 120.38 1vln s SER 110 Ca -0.06 -0.57 -0.11 0.00 1.31 0.00 0.00 55.95 56.53 1vln s SER 110 Cb -0.05 0.09 0.03 0.00 0.21 0.00 0.00 66.02 66.30 1vln s SER 110 CO -0.13 -0.30 0.29 0.12 0.41 0.00 0.00 173.24 173.64 1vln s PHE 111 N -1.70 -0.29 -0.02 2.43 5.36 -0.73 -1.42 117.98 121.62 1vln s PHE 111 Ca -0.12 0.69 0.00 0.00 -0.96 0.00 0.00 56.93 56.55 1vln s PHE 111 Cb -0.08 0.10 0.01 0.00 -0.34 0.00 0.00 43.02 42.72 1vln s PHE 111 CO -0.01 -0.19 -0.01 0.99 -1.46 0.00 0.00 175.22 174.54 1vln s THR 112 N -0.09 0.14 -0.03 0.12 2.01 -0.41 -1.84 115.64 115.54 1vln s THR 112 Ca -0.02 0.02 0.01 0.00 0.31 0.00 0.00 61.69 62.01 1vln s THR 112 Cb -0.03 -0.19 0.02 0.00 0.01 0.00 0.00 72.50 72.31 1vln s THR 112 CO 0.01 0.09 -0.04 -0.55 -0.69 0.00 0.00 174.62 173.44 1vln s SER 113 N 0.53 0.81 -0.04 3.53 0.15 0.15 -1.14 113.70 117.69 1vln s SER 113 Ca -0.05 -0.11 0.02 0.00 0.70 0.00 0.00 55.95 56.51 1vln s SER 113 Cb -0.08 -0.34 0.01 0.00 -1.71 0.00 0.00 66.02 63.91 1vln s SER 113 CO -0.01 -0.03 -0.09 -0.54 1.20 0.00 0.00 173.24 173.77 1vln s LYS 114 N 0.67 1.15 -0.13 5.44 1.02 -0.37 -1.19 119.74 126.33 1vln s LYS 114 Ca -0.08 -0.28 0.01 0.00 0.02 0.00 0.00 55.97 55.63 1vln s LYS 114 Cb -0.12 -1.04 0.02 0.00 -0.52 0.00 0.00 37.83 36.17 1vln s LYS 114 CO -0.00 0.03 -0.14 -1.17 -0.92 0.00 0.00 175.35 173.15 1vln s LEU 115 N 0.55 1.64 -0.38 3.17 2.96 -0.38 -1.75 118.68 124.49 1vln s LEU 115 Ca -0.09 -0.45 -0.02 0.00 -0.22 0.00 0.00 54.13 53.35 1vln s LEU 115 Cb -0.13 -1.12 0.09 0.00 0.50 0.00 0.00 46.19 45.54 1vln s LEU 115 CO 0.01 -0.04 0.14 -0.75 -1.32 0.00 0.00 176.35 174.39 1vln s LYS 116 N 1.38 2.03 0.00 1.98 2.20 -0.44 -1.19 119.74 125.70 1vln s LYS 116 Ca 0.02 -1.70 0.00 0.00 -0.36 0.00 0.00 55.97 53.93 1vln s LYS 116 Cb -0.13 -3.45 0.00 0.00 -1.51 0.00 0.00 37.83 32.74 1vln s LYS 116 CO -0.08 -0.95 0.00 -1.13 -0.36 0.00 0.00 175.35 172.83 1vln n SER 117 N 4.56 0.00 -3.17 1.43 3.41 -1.23 0.64 113.62 119.26 1vln n SER 117 Ca -0.04 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.35 1vln n SER 117 Cb 0.42 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.31 1vln n SER 117 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1vln n ASN 118 N 0.00 0.08 -3.64 4.04 4.13 -1.25 -2.62 115.26 115.99 1vln n ASN 118 Ca 0.00 -2.76 -0.10 0.00 1.68 0.00 0.00 54.58 53.40 1vln n ASN 118 Cb 0.00 -0.50 -0.07 0.00 -1.54 0.00 0.00 39.78 37.67 1vln n ASN 118 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1vln s SER 119 N -1.35 -0.63 -0.06 6.41 0.01 -1.26 -5.09 113.70 111.73 1vln s SER 119 Ca 0.35 1.15 -0.33 0.00 1.31 0.00 0.00 55.95 58.43 1vln s SER 119 Cb 0.19 1.19 -0.11 0.00 0.21 0.00 0.00 66.02 67.51 1vln s SER 119 CO -0.11 -0.19 1.92 0.41 0.41 0.00 0.00 173.24 175.67 1vln n THR 120 N 2.87 0.64 -0.14 1.44 -1.04 -1.26 -1.48 114.28 115.31 1vln n THR 120 Ca -0.15 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 1vln n THR 120 Cb 0.56 -2.01 0.00 0.00 -1.82 0.00 0.00 70.33 67.06 1vln n THR 120 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 1vln n HIS 121 N 6.97 0.00 -2.05 -1.42 -0.00 -1.26 -4.90 115.22 112.56 1vln n HIS 121 Ca 0.22 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.57 1vln n HIS 121 Cb 0.33 -0.49 -0.03 0.00 -0.00 0.00 0.00 29.99 29.80 1vln n HIS 121 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 1vln n GLU 122 N -2.00 2.23 -4.23 1.57 4.71 -0.55 -4.88 120.64 117.48 1vln n GLU 122 Ca 0.00 -2.64 -0.33 0.00 -0.01 0.00 0.00 57.16 54.17 1vln n GLU 122 Cb 0.00 -3.48 -0.08 0.00 -1.01 0.00 0.00 31.44 26.86 1vln n GLU 122 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 1vln s THR 123 N 7.11 4.41 -0.09 2.62 2.01 -1.26 -3.47 115.64 126.97 1vln s THR 123 Ca 0.60 -0.43 0.01 0.00 0.31 0.00 0.00 61.69 62.18 1vln s THR 123 Cb 0.05 -2.96 -0.02 0.00 0.01 0.00 0.00 72.50 69.58 1vln s THR 123 CO 0.09 0.43 -0.12 0.20 -0.69 0.00 0.00 174.62 174.53 1vln s ASN 124 N -1.44 4.14 0.09 3.53 -0.87 -0.34 -4.96 114.94 115.09 1vln s ASN 124 Ca 0.19 -0.23 0.03 0.00 -1.57 0.00 0.00 52.86 51.28 1vln s ASN 124 Cb -0.12 -1.29 -0.03 0.00 -0.02 0.00 0.00 41.25 39.79 1vln s ASN 124 CO 0.09 0.26 -0.09 0.00 -2.57 0.00 0.00 177.10 174.79 1vln s ALA 125 N -0.19 0.97 -0.01 0.60 0.00 -1.26 -1.26 121.76 120.62 1vln s ALA 125 Ca 0.00 -1.14 0.01 0.00 0.00 0.00 0.00 51.96 50.83 1vln s ALA 125 Cb -0.13 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.05 1vln s ALA 125 CO 0.03 -0.08 -0.02 -1.17 0.00 0.00 0.00 175.76 174.52 1vln s LEU 126 N -2.40 1.89 -0.18 0.00 2.96 -0.34 -4.99 118.68 115.62 1vln s LEU 126 Ca 0.04 -0.04 -0.10 0.00 -0.22 0.00 0.00 54.13 53.81 1vln s LEU 126 Cb -0.02 -0.14 0.06 0.00 0.50 0.00 0.00 46.19 46.58 1vln s LEU 126 CO -0.01 0.01 0.43 -2.28 -1.32 0.00 0.00 176.35 173.18 1vln s HIS 127 N 0.09 -0.63 0.01 5.38 5.65 -1.26 -0.67 115.29 123.85 1vln s HIS 127 Ca -0.01 1.34 0.01 0.00 0.25 0.00 0.00 55.06 56.66 1vln s HIS 127 Cb -0.03 0.29 -0.01 0.00 -1.18 0.00 0.00 32.58 31.65 1vln s HIS 127 CO -0.00 -0.35 -0.05 -0.59 -0.65 0.00 0.00 174.74 173.10 1vln s PHE 128 N 1.39 0.41 -0.10 3.88 -0.12 -0.76 -5.01 117.98 117.67 1vln s PHE 128 Ca -0.09 -0.17 -0.02 0.00 -0.05 0.00 0.00 56.93 56.60 1vln s PHE 128 Cb -0.08 -0.26 0.03 0.00 -0.63 0.00 0.00 43.02 42.08 1vln s PHE 128 CO -0.13 -0.03 0.00 1.41 -0.05 0.00 0.00 175.22 176.42 1vln s MET 129 N -0.42 0.71 -0.43 1.99 1.75 -1.26 -1.78 119.30 119.85 1vln s MET 129 Ca -0.01 -0.04 -0.08 0.00 -1.25 0.00 0.00 55.69 54.31 1vln s MET 129 Cb -0.03 -1.28 0.10 0.00 2.84 0.00 0.00 34.83 36.45 1vln s MET 129 CO -0.00 -0.37 0.27 -0.06 -0.65 0.00 0.00 175.02 174.21 1vln s PHE 130 N 1.92 3.41 -2.28 4.11 0.08 0.36 -4.89 117.98 120.68 1vln s PHE 130 Ca 0.04 -1.81 0.21 0.00 0.12 0.00 0.00 56.93 55.49 1vln s PHE 130 Cb -0.13 -3.16 0.08 0.00 -0.57 0.00 0.00 43.02 39.24 1vln s PHE 130 CO -0.06 -0.92 1.10 0.09 -0.10 0.00 0.00 175.22 175.33 1vln n ASN 131 N 4.85 2.35 -3.70 1.36 3.02 -1.26 -1.73 115.26 120.14 1vln n ASN 131 Ca -0.08 -1.67 -0.12 0.00 -0.03 0.00 0.00 54.58 52.68 1vln n ASN 131 Cb 0.42 0.25 -0.10 0.00 -0.61 0.00 0.00 39.78 39.73 1vln n ASN 131 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1vln s GLN 132 N -2.06 0.47 -0.08 3.52 -1.52 -1.26 -4.81 119.66 113.91 1vln s GLN 132 Ca 0.21 0.73 -0.00 0.00 -1.95 0.00 0.00 55.36 54.35 1vln s GLN 132 Cb 0.17 0.12 -0.03 0.00 -0.22 0.00 0.00 33.01 33.05 1vln s GLN 132 CO 0.40 -0.11 -0.06 -0.06 -0.25 0.00 0.00 175.29 175.21 1vln s PHE 133 N 0.86 2.98 0.31 0.91 0.40 -0.18 -5.04 117.98 118.21 1vln s PHE 133 Ca -0.05 -0.02 0.07 0.00 -0.60 0.00 0.00 56.93 56.33 1vln s PHE 133 Cb -0.06 -1.76 -0.02 0.00 0.51 0.00 0.00 43.02 41.69 1vln s PHE 133 CO -0.07 0.28 0.34 -1.54 0.70 0.00 0.00 175.22 174.94 1vln s SER 134 N -0.62 5.67 0.33 1.36 1.04 -1.26 -3.72 113.70 116.50 1vln s SER 134 Ca 0.09 -0.29 0.08 0.00 0.48 0.00 0.00 55.95 56.32 1vln s SER 134 Cb -0.12 -1.24 0.79 0.00 0.10 0.00 0.00 66.02 65.56 1vln s SER 134 CO 0.02 -0.29 1.81 0.11 0.98 0.00 0.00 173.24 175.87 1vln h LYS 135 N 1.17 0.70 -3.20 4.02 6.56 -1.85 -3.17 116.57 120.80 1vln h LYS 135 Ca -0.47 -0.04 -0.62 0.00 -1.06 0.00 0.00 60.65 58.46 1vln h LYS 135 Cb 1.25 -0.16 -0.40 0.00 -0.57 0.00 0.00 32.23 32.35 1vln h LYS 135 CO 0.57 0.46 -0.69 0.34 -2.06 0.00 0.00 179.45 178.07 1vln s ASP 136 N -5.52 3.97 -1.22 0.86 2.15 -1.26 -4.70 116.67 110.95 1vln s ASP 136 Ca -0.11 -2.77 -0.12 0.00 0.43 0.00 0.00 52.55 49.98 1vln s ASP 136 Cb 0.24 -1.31 0.18 0.00 -0.30 0.00 0.00 42.92 41.73 1vln s ASP 136 CO 0.80 -0.26 1.54 1.67 -0.17 0.00 0.00 175.17 178.75 1vln n GLN 137 N 3.39 3.47 0.09 4.34 -0.06 -1.21 -4.89 117.38 122.51 1vln n GLN 137 Ca 0.07 -3.81 0.04 0.00 -2.00 0.00 0.00 57.00 51.30 1vln n GLN 137 Cb 0.34 -2.98 0.23 0.00 -4.06 0.00 0.00 30.24 23.77 1vln n GLN 137 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1vln n LYS 138 N 4.94 0.06 -0.56 3.69 5.02 -1.26 -1.77 118.16 128.27 1vln n LYS 138 Ca 0.37 0.48 0.09 0.00 -2.02 0.00 0.00 58.31 57.22 1vln n LYS 138 Cb 0.41 -1.89 0.33 0.00 -0.02 0.00 0.00 35.03 33.86 1vln n LYS 138 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1vln n ASP 139 N -1.77 4.40 -4.25 4.39 5.68 -1.26 -4.90 116.55 118.84 1vln n ASP 139 Ca -0.01 -2.39 -0.23 0.00 -0.50 0.00 0.00 54.79 51.66 1vln n ASP 139 Cb 0.22 -0.55 -0.13 0.00 -1.14 0.00 0.00 41.12 39.52 1vln n ASP 139 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1vln s LEU 140 N -1.69 2.26 -0.33 -2.12 1.43 -0.73 -1.14 118.68 116.35 1vln s LEU 140 Ca 0.47 -0.63 -0.08 0.00 -1.03 0.00 0.00 54.13 52.87 1vln s LEU 140 Cb 0.30 -0.82 0.03 0.00 0.03 0.00 0.00 46.19 45.73 1vln s LEU 140 CO 0.23 0.05 0.12 -0.63 0.23 0.00 0.00 176.35 176.36 1vln s ILE 141 N -1.10 4.03 -0.19 -0.59 1.01 0.38 -4.86 121.20 119.88 1vln s ILE 141 Ca 0.05 -0.94 -0.14 0.00 0.00 0.00 0.00 60.65 59.62 1vln s ILE 141 Cb -0.10 -3.22 -0.04 0.00 0.01 0.00 0.00 42.46 39.11 1vln s ILE 141 CO 0.03 -0.12 0.32 -0.76 0.00 0.00 0.00 174.94 174.42 1vln s LEU 142 N 1.47 4.19 0.09 2.97 1.43 -1.26 -1.05 118.68 126.51 1vln s LEU 142 Ca 0.00 0.46 0.10 0.00 -1.03 0.00 0.00 54.13 53.66 1vln s LEU 142 Cb -0.19 -2.40 -0.03 0.00 0.03 0.00 0.00 46.19 43.60 1vln s LEU 142 CO 0.04 0.02 -0.25 -1.10 0.23 0.00 0.00 176.35 175.28 1vln s GLN 143 N 0.92 1.46 7.14 1.70 -0.21 0.55 -4.96 119.66 126.26 1vln s GLN 143 Ca 0.16 -1.19 0.00 0.00 0.02 0.00 0.00 55.36 54.35 1vln s GLN 143 Cb -0.14 -1.78 0.00 0.00 1.00 0.00 0.00 33.01 32.10 1vln s GLN 143 CO 0.06 0.44 0.00 0.41 -2.12 0.00 0.00 175.29 174.07 1vln n GLY 144 N 1.31 2.10 1.16 3.09 0.00 -1.26 -1.01 105.19 110.58 1vln n GLY 144 Ca -0.18 -0.38 0.11 0.00 0.00 0.00 0.00 46.02 45.57 1vln n GLY 144 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1vln n ASP 145 N 6.73 3.37 -4.75 1.61 8.00 0.13 -4.94 116.55 126.70 1vln n ASP 145 Ca 0.00 -1.99 -0.41 0.00 0.71 0.00 0.00 54.79 53.10 1vln n ASP 145 Cb 0.00 -0.40 -0.03 0.00 -0.02 0.00 0.00 41.12 40.67 1vln n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1vln s ALA 146 N -1.21 3.47 0.03 2.24 0.00 -1.22 -4.28 121.76 120.80 1vln s ALA 146 Ca 0.42 1.06 -0.05 0.00 0.00 0.00 0.00 51.96 53.39 1vln s ALA 146 Cb 0.22 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.90 1vln s ALA 146 CO 0.29 -0.43 0.09 0.95 0.00 0.00 0.00 175.76 176.66 1vln s THR 147 N -0.56 0.13 0.41 0.00 -4.23 -0.49 -4.78 115.64 106.12 1vln s THR 147 Ca 0.51 -1.07 0.04 0.00 -1.18 0.00 0.00 61.69 59.99 1vln s THR 147 Cb -0.35 -0.84 -0.05 0.00 1.34 0.00 0.00 72.50 72.59 1vln s THR 147 CO 0.42 -0.59 0.04 0.42 -0.54 0.00 0.00 174.62 174.37 1vln s THR 148 N -2.49 1.41 0.00 3.99 -4.23 -1.26 -0.96 115.64 112.10 1vln s THR 148 Ca -0.06 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.45 1vln s THR 148 Cb -0.02 -2.67 0.00 0.00 1.34 0.00 0.00 72.50 71.15 1vln s THR 148 CO -0.04 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.65 1vln n GLY 149 N -0.96 1.86 3.56 3.99 0.00 -0.89 -4.46 105.19 108.29 1vln n GLY 149 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 1vln n GLY 149 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vln s THR 150 N -3.15 3.63 -0.65 2.61 2.01 -1.17 -2.74 115.64 116.19 1vln s THR 150 Ca 0.00 -0.52 0.00 0.00 0.31 0.00 0.00 61.69 61.48 1vln s THR 150 Cb 0.00 -4.40 0.00 0.00 0.01 0.00 0.00 72.50 68.11 1vln s THR 150 CO 0.00 -1.32 0.00 0.47 -0.69 0.00 0.00 174.62 173.08 1vln n ASP 151 N 12.06 -4.11 0.00 3.53 9.92 -1.26 -1.57 116.55 135.13 1vln n ASP 151 Ca 0.37 0.15 0.00 0.00 -0.53 0.00 0.00 54.79 54.79 1vln n ASP 151 Cb 0.48 -2.15 0.00 0.00 -0.64 0.00 0.00 41.12 38.82 1vln n ASP 151 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1vln n GLY 152 N -1.75 0.53 3.90 0.44 0.00 -1.11 -4.99 105.19 102.21 1vln n GLY 152 Ca -0.06 -0.20 -0.20 0.00 0.00 0.00 0.00 46.02 45.56 1vln n GLY 152 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1vln s ASN 153 N -2.18 5.15 -0.23 1.61 0.01 -0.61 -1.01 114.94 117.68 1vln s ASN 153 Ca 0.00 -0.70 -0.01 0.00 -0.71 0.00 0.00 52.86 51.44 1vln s ASN 153 Cb 0.00 -0.57 0.02 0.00 0.41 0.00 0.00 41.25 41.11 1vln s ASN 153 CO 0.00 -0.68 -0.08 -0.22 -1.51 0.00 0.00 177.10 174.61 1vln s LEU 154 N -4.17 2.96 -0.36 0.60 2.96 -0.70 -2.09 118.68 117.88 1vln s LEU 154 Ca 0.49 -0.76 -0.15 0.00 -0.22 0.00 0.00 54.13 53.49 1vln s LEU 154 Cb -0.04 -1.64 -0.01 0.00 0.50 0.00 0.00 46.19 45.00 1vln s LEU 154 CO 0.29 -0.09 0.36 -1.61 -1.32 0.00 0.00 176.35 173.98 1vln s GLU 155 N 1.34 3.45 0.29 1.98 0.41 -0.13 -0.46 118.70 125.57 1vln s GLU 155 Ca 0.02 -0.53 0.15 0.00 -0.41 0.00 0.00 54.97 54.20 1vln s GLU 155 Cb -0.16 -3.84 0.15 0.00 -1.78 0.00 0.00 34.13 28.50 1vln s GLU 155 CO -0.06 -0.58 1.48 -0.07 -0.49 0.00 0.00 175.26 175.54 1vln h LEU 156 N 8.76 0.00 -8.99 1.80 3.38 -1.69 -1.30 115.31 117.28 1vln h LEU 156 Ca -0.29 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.22 1vln h LEU 156 Cb 1.14 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.75 1vln h LEU 156 CO 0.71 0.50 -0.69 0.42 0.09 0.00 0.00 178.44 179.46 1vln s THR 157 N -3.04 1.57 0.16 0.22 -4.23 -1.26 -2.64 115.64 106.42 1vln s THR 157 Ca 0.03 -2.14 -0.32 0.00 -1.18 0.00 0.00 61.69 58.09 1vln s THR 157 Cb 0.08 -2.26 -0.10 0.00 1.34 0.00 0.00 72.50 71.56 1vln s THR 157 CO 0.74 -0.43 1.56 -0.60 -0.54 0.00 0.00 174.62 175.34 1vln s ARG 158 N -3.72 4.22 0.11 3.99 6.06 -1.26 -4.86 118.95 123.50 1vln s ARG 158 Ca 0.26 2.34 0.06 0.00 -2.50 0.00 0.00 55.73 55.90 1vln s ARG 158 Cb 0.02 -3.16 -0.04 0.00 0.06 0.00 0.00 34.95 31.84 1vln s ARG 158 CO 0.09 -0.59 -0.16 0.08 -2.50 0.00 0.00 175.30 172.22 1vln s VAL 159 N 1.14 1.38 0.69 7.11 1.01 -1.26 -0.61 120.40 129.85 1vln s VAL 159 Ca 0.70 -1.60 -0.00 0.00 0.00 0.00 0.00 61.98 61.07 1vln s VAL 159 Cb -0.43 -1.45 0.11 0.00 0.00 0.00 0.00 36.38 34.61 1vln s VAL 159 CO 0.31 -0.30 0.95 -0.94 0.00 0.00 0.00 175.10 175.12 1vln s SER 160 N -2.20 4.54 0.21 3.32 1.04 0.04 -4.90 113.70 115.75 1vln s SER 160 Ca 0.06 -0.28 -0.10 0.00 0.48 0.00 0.00 55.95 56.11 1vln s SER 160 Cb -0.07 -0.20 0.17 0.00 0.10 0.00 0.00 66.02 66.02 1vln s SER 160 CO 0.03 -1.72 1.88 0.77 0.98 0.00 0.00 173.24 175.18 1vln h SER 161 N -0.41 0.90 -0.30 7.02 4.64 -2.02 -2.54 113.55 120.85 1vln h SER 161 Ca -0.37 -0.03 -0.21 0.00 -0.47 0.00 0.00 61.79 60.70 1vln h SER 161 Cb 1.27 -0.23 -0.08 0.00 -0.31 0.00 0.00 62.40 63.06 1vln h SER 161 CO 0.43 0.67 0.07 -0.46 -0.87 0.00 0.00 176.83 176.67 1vln n ASN 162 N -4.53 5.79 -4.03 4.97 6.94 -1.26 -4.82 115.26 118.32 1vln n ASN 162 Ca 0.08 -2.73 -0.33 0.00 -0.02 0.00 0.00 54.58 51.58 1vln n ASN 162 Cb 0.02 -1.20 -0.05 0.00 -2.36 0.00 0.00 39.78 36.19 1vln n ASN 162 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1vln n GLY 163 N 1.36 -0.44 3.44 4.83 0.00 -0.95 -4.94 105.19 108.49 1vln n GLY 163 Ca 0.27 0.07 -0.36 0.00 0.00 0.00 0.00 46.02 46.00 1vln n GLY 163 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vln s SER 164 N -3.00 5.04 0.33 1.61 0.01 -1.25 -4.85 113.70 111.58 1vln s SER 164 Ca 0.64 -0.22 -0.29 0.00 1.31 0.00 0.00 55.95 57.40 1vln s SER 164 Cb -0.37 -1.90 -0.10 0.00 0.21 0.00 0.00 66.02 63.86 1vln s SER 164 CO 0.79 -0.02 1.32 -2.16 0.41 0.00 0.00 173.24 173.58 1vln s PRO 165 N 1.50 4.34 0.11 12.44 0.04 -1.26 -0.78 135.00 151.40 1vln s PRO 165 Ca 0.06 2.23 -0.02 0.00 0.04 0.00 0.00 61.00 63.30 1vln s PRO 165 Cb -0.15 -3.07 -0.05 0.00 0.04 0.00 0.00 34.50 31.27 1vln s PRO 165 CO 0.03 -0.21 0.31 -0.65 0.04 0.00 0.00 177.00 176.51 1vln s GLN 166 N -1.70 3.53 0.62 4.56 -1.52 0.22 -4.85 119.66 120.53 1vln s GLN 166 Ca 0.50 -0.26 -0.04 0.00 -1.95 0.00 0.00 55.36 53.60 1vln s GLN 166 Cb -0.40 -2.93 0.03 0.00 -0.22 0.00 0.00 33.01 29.49 1vln s GLN 166 CO 0.53 0.52 0.91 0.20 -0.25 0.00 0.00 175.29 177.20 1vln s GLY 167 N -2.54 1.68 -1.44 3.09 0.00 -1.26 -4.31 107.32 102.54 1vln s GLY 167 Ca 0.38 -0.93 -0.12 0.00 0.00 0.00 0.00 44.72 44.06 1vln s GLY 167 CO 0.26 -0.60 0.68 1.44 0.00 0.00 0.00 173.10 174.88 1vln n SER 168 N -2.65 -4.18 -4.75 1.64 7.64 -0.75 -4.87 113.62 105.70 1vln n SER 168 Ca 0.06 -0.58 -0.25 0.00 1.01 0.00 0.00 58.87 59.11 1vln n SER 168 Cb 0.59 -3.40 -0.06 0.00 -1.01 0.00 0.00 64.21 60.33 1vln n SER 168 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1vln s SER 169 N -2.96 5.21 -0.16 6.43 0.15 -1.17 -4.93 113.70 116.27 1vln s SER 169 Ca 0.52 -0.27 -0.17 0.00 0.70 0.00 0.00 55.95 56.73 1vln s SER 169 Cb -0.27 -1.26 0.05 0.00 -1.71 0.00 0.00 66.02 62.83 1vln s SER 169 CO 0.64 0.06 0.48 0.54 1.20 0.00 0.00 173.24 176.15 1vln s VAL 170 N -1.84 0.01 -0.00 4.45 0.11 -1.26 -1.42 120.40 120.44 1vln s VAL 170 Ca 0.30 -0.05 -0.28 0.00 -2.93 0.00 0.00 61.98 59.02 1vln s VAL 170 Cb -0.09 -0.69 0.08 0.00 -1.53 0.00 0.00 36.38 34.15 1vln s VAL 170 CO 0.22 -0.03 0.74 -0.83 -3.33 0.00 0.00 175.10 171.88 1vln s GLY 171 N 0.00 -0.52 0.02 6.54 0.00 -1.08 0.22 107.32 112.49 1vln s GLY 171 Ca -0.02 1.17 -0.06 0.00 0.00 0.00 0.00 44.72 45.81 1vln s GLY 171 CO 0.02 0.66 0.10 0.50 0.00 0.00 0.00 173.10 174.37 1vln s ARG 172 N -2.18 0.51 -0.13 2.90 0.52 -0.18 -2.71 118.95 117.68 1vln s ARG 172 Ca -0.04 -0.58 -0.00 0.00 -0.52 0.00 0.00 55.73 54.59 1vln s ARG 172 Cb -0.01 0.20 0.03 0.00 0.52 0.00 0.00 34.95 35.70 1vln s ARG 172 CO -0.01 -0.12 -0.08 0.00 0.02 0.00 0.00 175.30 175.11 1vln s ALA 173 N -1.92 1.45 -0.02 2.13 0.00 -0.69 -0.33 121.76 122.38 1vln s ALA 173 Ca -0.11 -0.68 0.06 0.00 0.00 0.00 0.00 51.96 51.23 1vln s ALA 173 Cb -0.05 -0.99 -0.03 0.00 0.00 0.00 0.00 23.12 22.05 1vln s ALA 173 CO -0.01 -0.52 -0.18 -0.51 0.00 0.00 0.00 175.76 174.54 1vln s LEU 174 N 1.65 2.53 0.38 0.00 1.02 -0.22 -1.27 118.68 122.77 1vln s LEU 174 Ca 0.04 -0.32 -0.27 0.00 0.02 0.00 0.00 54.13 53.60 1vln s LEU 174 Cb -0.13 -1.49 -0.09 0.00 0.02 0.00 0.00 46.19 44.50 1vln s LEU 174 CO -0.08 0.32 1.27 0.12 0.02 0.00 0.00 176.35 177.99 1vln s PHE 175 N -0.75 2.97 0.23 0.29 5.36 -0.87 -0.47 117.98 124.74 1vln s PHE 175 Ca 0.12 1.45 -0.08 0.00 -0.96 0.00 0.00 56.93 57.46 1vln s PHE 175 Cb -0.10 -3.60 0.20 0.00 -0.34 0.00 0.00 43.02 39.18 1vln s PHE 175 CO 0.01 -1.80 1.88 -0.92 -1.46 0.00 0.00 175.22 172.93 1vln h TYR 176 N 2.94 1.16 -3.39 10.12 3.20 -1.46 -3.44 116.97 126.09 1vln h TYR 176 Ca -0.49 0.00 -0.55 0.00 3.14 0.00 0.00 58.73 60.83 1vln h TYR 176 Cb 1.24 -0.38 -0.04 0.00 1.54 0.00 0.00 36.73 39.08 1vln h TYR 176 CO 0.55 0.76 0.12 0.00 -1.64 0.00 0.00 178.16 177.95 1vln s ALA 177 N -5.99 3.38 0.58 1.82 0.00 -1.26 -5.05 121.76 115.24 1vln s ALA 177 Ca -0.13 0.22 -0.19 0.00 0.00 0.00 0.00 51.96 51.86 1vln s ALA 177 Cb 0.17 -2.95 -0.04 0.00 0.00 0.00 0.00 23.12 20.29 1vln s ALA 177 CO 0.81 0.04 1.19 -2.14 0.00 0.00 0.00 175.76 175.67 1vln s PRO 178 N 0.13 3.04 -0.09 0.00 0.02 -1.26 -4.85 135.00 131.98 1vln s PRO 178 Ca 0.37 1.79 0.03 0.00 0.02 0.00 0.00 61.00 63.21 1vln s PRO 178 Cb -0.20 -1.94 -0.01 0.00 0.02 0.00 0.00 34.50 32.37 1vln s PRO 178 CO 0.21 -1.14 -0.18 0.08 -0.33 0.00 0.00 177.00 175.63 1vln s VAL 179 N -1.63 2.62 -0.82 3.83 1.01 -0.34 -4.95 120.40 120.13 1vln s VAL 179 Ca 0.77 -0.84 -0.21 0.00 0.00 0.00 0.00 61.98 61.69 1vln s VAL 179 Cb -0.29 -2.04 0.09 0.00 0.00 0.00 0.00 36.38 34.14 1vln s VAL 179 CO 0.32 0.55 1.11 -2.28 0.00 0.00 0.00 175.10 174.81 1vln s HIS 180 N 0.02 2.80 0.18 5.22 2.46 -1.26 -1.21 115.29 123.50 1vln s HIS 180 Ca -0.07 -0.88 -0.04 0.00 0.47 0.00 0.00 55.06 54.54 1vln s HIS 180 Cb -0.15 -4.36 0.07 0.00 -0.13 0.00 0.00 32.58 28.01 1vln s HIS 180 CO 0.05 -1.65 1.47 0.97 -2.47 0.00 0.00 174.74 173.11 1vln h ILE 181 N 6.03 1.32 -3.90 0.89 6.09 -1.28 -3.47 117.51 123.19 1vln h ILE 181 Ca -0.05 -1.85 -0.14 0.00 -1.37 0.00 0.00 64.86 61.45 1vln h ILE 181 Cb 1.04 1.82 -0.10 0.00 0.47 0.00 0.00 36.82 40.06 1vln h ILE 181 CO 1.19 0.58 -0.21 -1.66 -3.07 0.00 0.00 178.15 174.98 1vln s TRP 182 N -3.93 0.66 -0.28 2.19 1.48 -1.24 -4.78 118.94 113.04 1vln s TRP 182 Ca -0.08 -0.97 -0.21 0.00 -1.06 0.00 0.00 56.10 53.78 1vln s TRP 182 Cb 0.11 0.02 0.08 0.00 -1.16 0.00 0.00 33.47 32.52 1vln s TRP 182 CO 0.85 -0.99 0.76 -2.00 -4.06 0.00 0.00 176.95 171.52 1vln s GLU 183 N -3.76 0.73 0.14 3.25 2.12 -1.26 -4.81 118.70 115.10 1vln s GLU 183 Ca 0.27 1.01 -0.26 0.00 0.36 0.00 0.00 54.97 56.35 1vln s GLU 183 Cb 0.01 0.28 -0.02 0.00 0.26 0.00 0.00 34.13 34.65 1vln s GLU 183 CO 0.12 -0.11 1.61 0.77 -0.54 0.00 0.00 175.26 177.11 1vln h SER 184 N 5.65 -0.98 -0.15 -1.70 0.02 -2.02 -3.21 113.55 111.16 1vln h SER 184 Ca -0.29 0.14 -0.71 0.00 -0.84 0.00 0.00 61.79 60.09 1vln h SER 184 Cb 1.19 0.42 -0.05 0.00 0.14 0.00 0.00 62.40 64.09 1vln h SER 184 CO 0.10 -0.36 2.98 -1.54 -1.14 0.00 0.00 176.83 176.88 1vln n SER 185 N -5.41 4.05 -3.69 3.07 3.41 -1.26 -4.83 113.62 108.95 1vln n SER 185 Ca -0.03 -2.86 -0.13 0.00 -0.26 0.00 0.00 58.87 55.59 1vln n SER 185 Cb 0.32 -1.67 -0.13 0.00 -0.26 0.00 0.00 64.21 62.47 1vln n SER 185 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vln s ALA 186 N 3.26 -0.55 0.03 7.33 0.00 -1.21 -3.97 121.76 126.65 1vln s ALA 186 Ca 0.48 0.96 -0.25 0.00 0.00 0.00 0.00 51.96 53.15 1vln s ALA 186 Cb 0.13 -0.82 -0.18 0.00 0.00 0.00 0.00 23.12 22.24 1vln s ALA 186 CO -0.06 -0.42 1.48 0.28 0.00 0.00 0.00 175.76 177.04 1vln h VAL 187 N 6.08 1.21 -3.96 0.00 2.07 0.45 -3.45 116.25 118.64 1vln h VAL 187 Ca -0.27 -0.62 -0.29 0.00 0.82 0.00 0.00 66.70 66.34 1vln h VAL 187 Cb 1.13 1.62 -0.22 0.00 -1.52 0.00 0.00 31.29 32.31 1vln h VAL 187 CO 0.25 0.16 -0.74 -0.69 0.02 0.00 0.00 177.57 176.57 1vln s VAL 188 N -5.15 0.60 -0.08 2.57 1.01 -1.22 -4.84 120.40 113.29 1vln s VAL 188 Ca -0.15 -1.05 -0.09 0.00 0.00 0.00 0.00 61.98 60.69 1vln s VAL 188 Cb 0.04 -0.64 0.02 0.00 0.00 0.00 0.00 36.38 35.79 1vln s VAL 188 CO 0.67 -0.33 0.24 0.00 0.00 0.00 0.00 175.10 175.67 1vln s ALA 189 N -1.29 -0.59 -0.07 5.51 0.00 -1.26 -1.33 121.76 122.73 1vln s ALA 189 Ca -0.08 0.58 -0.30 0.00 0.00 0.00 0.00 51.96 52.16 1vln s ALA 189 Cb -0.10 -0.31 0.10 0.00 0.00 0.00 0.00 23.12 22.81 1vln s ALA 189 CO 0.01 -0.14 0.84 -1.54 0.00 0.00 0.00 175.76 174.93 1vln s SER 190 N -0.14 -0.48 0.13 0.00 1.04 -0.72 -0.41 113.70 113.12 1vln s SER 190 Ca -0.03 0.40 0.02 0.00 0.48 0.00 0.00 55.95 56.82 1vln s SER 190 Cb -0.03 0.42 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 1vln s SER 190 CO 0.01 -0.54 -0.05 0.72 0.98 0.00 0.00 173.24 174.36 1vln s PHE 191 N -1.74 1.03 -0.11 5.02 -0.12 -0.34 -1.23 117.98 120.49 1vln s PHE 191 Ca -0.03 -0.93 -0.09 0.00 -0.05 0.00 0.00 56.93 55.83 1vln s PHE 191 Cb -0.00 -0.58 0.03 0.00 -0.63 0.00 0.00 43.02 41.84 1vln s PHE 191 CO 0.01 -0.15 0.28 -2.00 -0.05 0.00 0.00 175.22 173.32 1vln s GLU 192 N -3.85 0.30 0.03 1.99 2.12 -0.29 -1.99 118.70 117.00 1vln s GLU 192 Ca 0.16 0.46 0.02 0.00 0.36 0.00 0.00 54.97 55.97 1vln s GLU 192 Cb 0.05 0.08 -0.02 0.00 0.26 0.00 0.00 34.13 34.50 1vln s GLU 192 CO -0.01 -0.08 -0.07 0.00 -0.54 0.00 0.00 175.26 174.56 1vln s ALA 193 N 0.53 0.53 -0.08 6.30 0.00 0.26 -1.28 121.76 128.02 1vln s ALA 193 Ca -0.03 -0.60 -0.10 0.00 0.00 0.00 0.00 51.96 51.23 1vln s ALA 193 Cb -0.05 -0.00 0.02 0.00 0.00 0.00 0.00 23.12 23.09 1vln s ALA 193 CO -0.03 0.02 0.26 0.99 0.00 0.00 0.00 175.76 177.00 1vln s THR 194 N -0.98 0.02 -0.15 0.00 2.01 -0.50 -1.05 115.64 114.98 1vln s THR 194 Ca -0.06 -0.13 -0.24 0.00 0.31 0.00 0.00 61.69 61.56 1vln s THR 194 Cb -0.07 -0.42 0.06 0.00 0.01 0.00 0.00 72.50 72.08 1vln s THR 194 CO 0.00 -0.07 0.61 0.72 -0.69 0.00 0.00 174.62 175.19 1vln s PHE 195 N -0.20 -0.62 -0.09 4.92 -0.71 -0.88 -0.99 117.98 119.40 1vln s PHE 195 Ca -0.03 1.34 -0.01 0.00 -1.04 0.00 0.00 56.93 57.19 1vln s PHE 195 Cb -0.03 0.28 -0.03 0.00 -1.21 0.00 0.00 43.02 42.03 1vln s PHE 195 CO 0.01 -0.44 -0.05 0.95 -1.34 0.00 0.00 175.22 174.35 1vln s THR 196 N -0.38 3.85 0.17 -4.49 -4.23 -1.09 -0.28 115.64 109.19 1vln s THR 196 Ca -0.05 -0.41 0.00 0.00 -1.18 0.00 0.00 61.69 60.05 1vln s THR 196 Cb -0.03 -2.60 -0.04 0.00 1.34 0.00 0.00 72.50 71.16 1vln s THR 196 CO 0.04 0.58 0.05 0.72 -0.54 0.00 0.00 174.62 175.47 1vln s PHE 197 N -0.56 1.10 -0.20 3.99 -0.71 -0.01 -1.50 117.98 120.09 1vln s PHE 197 Ca 0.09 -1.16 -0.03 0.00 -1.04 0.00 0.00 56.93 54.78 1vln s PHE 197 Cb -0.12 -0.62 0.06 0.00 -1.21 0.00 0.00 43.02 41.14 1vln s PHE 197 CO 0.02 -0.40 0.05 -1.17 -1.34 0.00 0.00 175.22 172.38 1vln s LEU 198 N -3.14 1.08 -0.22 -1.99 0.20 -0.15 -1.29 118.68 113.18 1vln s LEU 198 Ca 0.27 -0.82 -0.03 0.00 0.69 0.00 0.00 54.13 54.24 1vln s LEU 198 Cb 0.07 -0.55 0.00 0.00 -0.43 0.00 0.00 46.19 45.28 1vln s LEU 198 CO 0.05 -0.32 -0.08 -0.63 -0.29 0.00 0.00 176.35 175.08 1vln s ILE 199 N 1.89 3.03 -0.06 6.68 1.01 -1.25 -2.26 121.20 130.26 1vln s ILE 199 Ca -0.00 -0.65 -0.05 0.00 0.00 0.00 0.00 60.65 59.95 1vln s ILE 199 Cb -0.17 -2.38 0.02 0.00 0.01 0.00 0.00 42.46 39.94 1vln s ILE 199 CO -0.09 0.42 0.15 -1.59 0.00 0.00 0.00 174.94 173.83 1vln s LYS 200 N 1.42 0.17 -0.14 2.79 -2.85 -1.22 -1.56 119.74 118.35 1vln s LYS 200 Ca 0.05 0.22 -0.01 0.00 -1.00 0.00 0.00 55.97 55.22 1vln s LYS 200 Cb -0.14 0.07 0.04 0.00 -2.06 0.00 0.00 37.83 35.74 1vln s LYS 200 CO -0.06 -0.03 -0.01 -1.54 0.10 0.00 0.00 175.35 173.82 1vln s SER 201 N 0.13 2.41 0.08 0.03 1.04 -1.26 -0.60 113.70 115.53 1vln s SER 201 Ca -0.00 -0.50 -0.17 0.00 0.48 0.00 0.00 55.95 55.75 1vln s SER 201 Cb -0.02 -0.66 -0.05 0.00 0.10 0.00 0.00 66.02 65.39 1vln s SER 201 CO -0.00 -0.22 1.30 -0.65 0.98 0.00 0.00 173.24 174.65 1vln h PRO 202 N 8.23 -0.13 0.00 4.02 0.11 -1.95 -0.91 132.00 141.36 1vln h PRO 202 Ca -0.21 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.91 1vln h PRO 202 Cb 1.12 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1vln h PRO 202 CO 0.34 -0.09 0.00 -0.40 -0.21 0.00 0.00 178.00 177.64 1vln n ASP 203 N -4.18 0.00 -2.78 -2.05 5.68 -1.26 -4.86 116.55 107.10 1vln n ASP 203 Ca -0.01 -0.37 -0.17 0.00 -0.50 0.00 0.00 54.79 53.75 1vln n ASP 203 Cb 0.17 0.00 0.06 0.00 -1.14 0.00 0.00 41.12 40.21 1vln n ASP 203 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1vln n SER 204 N -0.94 -4.64 -3.14 -1.12 7.64 -0.35 -5.00 113.62 106.07 1vln n SER 204 Ca 0.07 -0.41 -0.20 0.00 1.01 0.00 0.00 58.87 59.34 1vln n SER 204 Cb 0.03 -3.85 -0.05 0.00 -1.01 0.00 0.00 64.21 59.33 1vln n SER 204 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1vln n HIS 205 N -4.16 -1.52 -1.81 1.43 -0.00 -1.26 -5.08 115.22 102.82 1vln n HIS 205 Ca -0.03 -2.89 -0.33 0.00 -0.00 0.00 0.00 57.72 54.47 1vln n HIS 205 Cb 0.56 0.42 0.04 0.00 -0.00 0.00 0.00 29.99 31.01 1vln n HIS 205 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.34 174.20 1vln s PRO 206 N -0.15 2.91 -0.30 1.57 0.02 -1.26 -4.04 135.00 133.76 1vln s PRO 206 Ca 0.33 1.33 -0.24 0.00 0.02 0.00 0.00 61.00 62.44 1vln s PRO 206 Cb 0.10 -1.97 0.20 0.00 0.02 0.00 0.00 34.50 32.85 1vln s PRO 206 CO -0.15 -1.15 1.46 0.00 -0.33 0.00 0.00 177.00 176.83 1vln s ALA 207 N -2.40 -2.29 0.00 -1.55 0.00 -1.25 -4.24 121.76 110.03 1vln s ALA 207 Ca 0.66 1.68 0.00 0.00 0.00 0.00 0.00 51.96 54.30 1vln s ALA 207 Cb -0.19 -1.83 0.00 0.00 0.00 0.00 0.00 23.12 21.10 1vln s ALA 207 CO 0.41 -0.11 0.00 -0.25 0.00 0.00 0.00 175.76 175.82 1vln n ASP 208 N 1.65 4.71 0.00 0.00 8.00 0.34 -3.34 116.55 127.92 1vln n ASP 208 Ca -0.11 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.39 1vln n ASP 208 Cb 0.57 0.84 0.00 0.00 -0.02 0.00 0.00 41.12 42.51 1vln n ASP 208 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vln n GLY 209 N 2.47 3.69 3.75 0.44 0.00 -1.24 -1.97 105.19 112.34 1vln n GLY 209 Ca 0.00 -1.67 -0.22 0.00 0.00 0.00 0.00 46.02 44.13 1vln n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vln s ILE 210 N -2.05 4.02 -0.19 -0.61 1.01 -0.70 -3.06 121.20 119.62 1vln s ILE 210 Ca 0.00 -1.61 -0.13 0.00 0.00 0.00 0.00 60.65 58.91 1vln s ILE 210 Cb 0.00 -3.17 0.06 0.00 0.01 0.00 0.00 42.46 39.35 1vln s ILE 210 CO 0.00 -0.35 0.47 0.00 0.00 0.00 0.00 174.94 175.06 1vln s ALA 211 N -2.22 -1.20 -0.19 9.38 0.00 0.41 -0.08 121.76 127.86 1vln s ALA 211 Ca 0.32 1.57 -0.15 0.00 0.00 0.00 0.00 51.96 53.70 1vln s ALA 211 Cb -0.07 -0.94 -0.04 0.00 0.00 0.00 0.00 23.12 22.07 1vln s ALA 211 CO 0.23 -0.26 0.37 0.12 0.00 0.00 0.00 175.76 176.22 1vln s PHE 212 N 0.99 3.40 0.10 0.00 5.36 -0.63 -1.03 117.98 126.16 1vln s PHE 212 Ca -0.06 0.61 0.03 0.00 -0.96 0.00 0.00 56.93 56.55 1vln s PHE 212 Cb -0.06 -2.48 -0.04 0.00 -0.34 0.00 0.00 43.02 40.10 1vln s PHE 212 CO -0.09 0.06 -0.08 -0.59 -1.46 0.00 0.00 175.22 173.06 1vln s PHE 213 N 1.07 0.94 -0.06 10.12 -0.71 -0.84 -1.65 117.98 126.86 1vln s PHE 213 Ca 0.18 -0.79 0.03 0.00 -1.04 0.00 0.00 56.93 55.32 1vln s PHE 213 Cb -0.14 -0.53 0.00 0.00 -1.21 0.00 0.00 43.02 41.14 1vln s PHE 213 CO 0.07 -0.08 -0.16 0.42 -1.34 0.00 0.00 175.22 174.12 1vln s ILE 214 N -3.05 1.43 0.32 -4.49 1.01 -0.49 -1.32 121.20 114.61 1vln s ILE 214 Ca 0.08 -0.68 -0.03 0.00 0.00 0.00 0.00 60.65 60.03 1vln s ILE 214 Cb 0.01 -1.26 -0.00 0.00 0.01 0.00 0.00 42.46 41.22 1vln s ILE 214 CO -0.02 0.42 0.43 -0.94 0.00 0.00 0.00 174.94 174.82 1vln s SER 215 N 0.35 0.82 0.56 3.58 1.04 0.32 -2.43 113.70 117.93 1vln s SER 215 Ca -0.11 -1.44 -0.20 0.00 0.48 0.00 0.00 55.95 54.67 1vln s SER 215 Cb -0.14 0.62 -0.04 0.00 0.10 0.00 0.00 66.02 66.55 1vln s SER 215 CO 0.04 -1.22 1.26 0.54 0.98 0.00 0.00 173.24 174.84 1vln s ASN 216 N -3.22 5.32 0.26 7.02 4.22 -1.21 -0.19 114.94 127.14 1vln s ASN 216 Ca 0.31 2.53 -0.02 0.00 -2.14 0.00 0.00 52.86 53.54 1vln s ASN 216 Cb 0.00 -2.61 0.53 0.00 1.28 0.00 0.00 41.25 40.45 1vln s ASN 216 CO 0.19 -1.51 1.71 0.40 -2.04 0.00 0.00 177.10 175.84 1vln h ILE 217 N 1.22 0.56 -0.25 0.54 2.04 -1.83 -2.48 117.51 117.31 1vln h ILE 217 Ca -0.50 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.23 1vln h ILE 217 Cb 1.29 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1vln h ILE 217 CO 0.56 0.07 0.00 -0.90 0.00 0.00 0.00 178.15 177.88 1vln n ASP 218 N -5.07 2.51 -4.74 1.72 5.75 -1.26 -4.88 116.55 110.58 1vln n ASP 218 Ca 0.16 -2.27 -0.36 0.00 -0.01 0.00 0.00 54.79 52.32 1vln n ASP 218 Cb 0.49 -0.47 0.05 0.00 -1.03 0.00 0.00 41.12 40.16 1vln n ASP 218 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1vln s SER 219 N -0.50 4.93 0.16 -1.12 0.15 -0.93 -5.06 113.70 111.32 1vln s SER 219 Ca 0.21 2.46 -0.15 0.00 0.70 0.00 0.00 55.95 59.17 1vln s SER 219 Cb 0.15 -2.60 0.02 0.00 -1.71 0.00 0.00 66.02 61.88 1vln s SER 219 CO 0.08 -1.78 0.42 -0.94 1.20 0.00 0.00 173.24 172.22 1vln s SER 220 N -1.57 -0.18 -0.01 5.45 1.04 -1.26 -5.08 113.70 112.08 1vln s SER 220 Ca 0.79 -0.49 -0.31 0.00 0.48 0.00 0.00 55.95 56.42 1vln s SER 220 Cb -0.32 0.50 -0.10 0.00 0.10 0.00 0.00 66.02 66.20 1vln s SER 220 CO 0.36 -0.93 1.97 -0.38 0.98 0.00 0.00 173.24 175.24 1vln n ILE 221 N -0.26 0.70 -1.66 -1.02 5.41 -1.26 -4.97 119.36 116.30 1vln n ILE 221 Ca -0.12 -0.15 -0.30 0.00 1.00 0.00 0.00 62.75 63.18 1vln n ILE 221 Cb 0.63 -2.21 0.09 0.00 -0.71 0.00 0.00 39.64 37.44 1vln n ILE 221 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1vln s PRO 222 N 4.49 1.96 -0.46 0.38 0.04 -1.26 -4.94 135.00 135.21 1vln s PRO 222 Ca 0.91 0.43 -0.42 0.00 0.04 0.00 0.00 61.00 61.96 1vln s PRO 222 Cb -0.50 -1.92 -0.17 0.00 0.04 0.00 0.00 34.50 31.94 1vln s PRO 222 CO 0.44 -1.66 2.09 -1.13 0.04 0.00 0.00 177.00 176.79 1vln n SER 223 N -3.42 1.12 -4.17 6.66 3.41 -1.26 -2.28 113.62 113.67 1vln n SER 223 Ca 0.07 0.69 -0.37 0.00 -0.26 0.00 0.00 58.87 58.99 1vln n SER 223 Cb 0.58 -0.98 -0.04 0.00 -0.26 0.00 0.00 64.21 63.51 1vln n SER 223 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1vln n GLY 224 N 6.90 -0.43 1.73 5.00 0.00 -1.26 -4.73 105.19 112.39 1vln n GLY 224 Ca 0.49 0.24 -0.08 0.00 0.00 0.00 0.00 46.02 46.67 1vln n GLY 224 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1vln n SER 225 N -2.41 3.93 -4.81 1.61 3.41 -0.97 -4.95 113.62 109.44 1vln n SER 225 Ca -0.22 -2.96 -0.31 0.00 -0.26 0.00 0.00 58.87 55.12 1vln n SER 225 Cb 0.61 -0.70 0.05 0.00 -0.26 0.00 0.00 64.21 63.91 1vln n SER 225 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1vln s THR 226 N -2.34 3.86 0.00 6.66 2.01 -1.26 -0.46 115.64 124.11 1vln s THR 226 Ca 0.40 0.65 0.00 0.00 0.31 0.00 0.00 61.69 63.06 1vln s THR 226 Cb 0.33 -3.31 0.00 0.00 0.01 0.00 0.00 72.50 69.53 1vln s THR 226 CO 0.09 -0.74 0.00 0.61 -0.69 0.00 0.00 174.62 173.89 1vln n GLY 227 N -1.66 1.49 0.34 4.40 0.00 -1.13 -3.66 105.19 104.97 1vln n GLY 227 Ca 0.08 -0.50 0.18 0.00 0.00 0.00 0.00 46.02 45.79 1vln n GLY 227 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1vln h ARG 228 N 0.00 0.00 -0.10 1.61 0.11 -1.91 -1.46 114.38 112.64 1vln h ARG 228 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1vln h ARG 228 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1vln h ARG 228 CO 0.00 0.00 0.00 1.28 0.10 0.00 0.00 179.97 181.35 1vln n LEU 229 N -3.34 0.82 -1.93 0.08 4.77 -1.24 -4.91 117.00 111.25 1vln n LEU 229 Ca -0.01 -0.36 -0.05 0.00 -0.03 0.00 0.00 56.01 55.57 1vln n LEU 229 Cb 0.27 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.29 1vln n LEU 229 CO 0.21 0.18 -0.05 0.18 -1.33 0.00 0.00 177.39 176.58 1vln n LEU 230 N -0.21 -0.39 -0.55 2.23 4.77 -0.55 -1.26 117.00 121.05 1vln n LEU 230 Ca 0.13 0.28 -0.07 0.00 -0.03 0.00 0.00 56.01 56.32 1vln n LEU 230 Cb 0.18 -1.26 -0.03 0.00 -2.33 0.00 0.00 43.42 39.98 1vln n LEU 230 CO 0.10 -0.13 -0.07 0.61 -1.33 0.00 0.00 177.39 176.58 1vln n GLY 231 N -0.40 0.92 0.00 -0.72 0.00 0.39 -4.12 105.19 101.26 1vln n GLY 231 Ca -0.05 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1vln n GLY 231 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1vln n LEU 232 N -0.82 0.35 -4.45 0.99 4.77 -0.39 -4.46 117.00 113.00 1vln n LEU 232 Ca -0.07 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.58 1vln n LEU 232 Cb 0.28 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.23 1vln n LEU 232 CO 0.11 0.06 -0.46 -0.36 -1.33 0.00 0.00 177.39 175.40 1vln s PHE 233 N -1.90 2.68 0.04 -1.77 0.08 -1.06 -4.84 117.98 111.21 1vln s PHE 233 Ca 0.00 -0.24 0.18 0.00 0.12 0.00 0.00 56.93 56.99 1vln s PHE 233 Cb 0.00 -1.64 0.47 0.00 -0.57 0.00 0.00 43.02 41.28 1vln s PHE 233 CO 0.00 0.12 1.63 -1.00 -0.10 0.00 0.00 175.22 175.87 1vln h PRO 234 N 5.51 0.00 -4.10 0.24 0.13 -1.91 -3.40 132.00 128.46 1vln h PRO 234 Ca -0.44 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.43 1vln h PRO 234 Cb 1.16 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.21 1vln h PRO 234 CO 0.50 0.41 -0.19 0.16 -0.23 0.00 0.00 178.00 178.66 1vln s ASP 235 N -6.41 0.88 -0.26 1.44 1.47 -1.26 -4.86 116.67 107.67 1vln s ASP 235 Ca 0.02 -1.47 0.13 0.00 1.18 0.00 0.00 52.55 52.41 1vln s ASP 235 Cb 0.10 0.66 0.70 0.00 -0.34 0.00 0.00 42.92 44.04 1vln s ASP 235 CO 0.70 -1.29 1.67 0.00 0.68 0.00 0.00 175.17 176.93 1vln n ALA 236 N -0.56 3.91 1.60 2.11 0.00 -1.26 -4.84 120.51 121.47 1vln n ALA 236 Ca 0.01 -2.25 0.13 0.00 0.00 0.00 0.00 53.44 51.33 1vln n ALA 236 Cb 0.62 -1.03 0.76 0.00 0.00 0.00 0.00 19.45 19.79 1vln n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59