#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 2.43 -0.24 0.00 1.11 -1.26 -5.04 116.67 113.67 1vln s ASP 2 Ca 0.00 1.39 0.02 0.00 0.18 0.00 0.00 52.55 54.13 1vln s ASP 2 Cb 0.00 -2.07 0.05 0.00 1.07 0.00 0.00 42.92 41.97 1vln s ASP 2 CO 0.00 -3.28 -0.10 -0.89 1.18 0.00 0.00 175.17 172.08 1vln s THR 3 N -2.82 1.89 -0.12 -1.27 2.01 -1.26 -5.03 115.64 109.04 1vln s THR 3 Ca 0.66 -1.36 0.02 0.00 0.31 0.00 0.00 61.69 61.31 1vln s THR 3 Cb -0.20 -2.01 -0.01 0.00 0.01 0.00 0.00 72.50 70.29 1vln s THR 3 CO 0.59 0.02 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.74 1vln s ILE 4 N 1.25 2.59 -0.17 1.82 -1.09 -1.26 -3.33 121.20 121.01 1vln s ILE 4 Ca -0.06 -0.83 0.00 0.00 -2.23 0.00 0.00 60.65 57.54 1vln s ILE 4 Cb -0.19 -2.05 0.01 0.00 -1.58 0.00 0.00 42.46 38.65 1vln s ILE 4 CO -0.06 0.54 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.33 1vln s VAL 5 N 0.39 2.44 0.04 2.92 1.01 -0.76 -1.25 120.40 125.18 1vln s VAL 5 Ca -0.14 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.01 1vln s VAL 5 Cb -0.17 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 1vln s VAL 5 CO 0.07 0.52 -0.04 0.00 0.00 0.00 0.00 175.10 175.64 1vln s ALA 6 N 1.03 0.40 -0.26 5.51 0.00 0.36 -0.83 121.76 127.97 1vln s ALA 6 Ca -0.01 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.07 1vln s ALA 6 Cb -0.15 0.18 0.06 0.00 0.00 0.00 0.00 23.12 23.21 1vln s ALA 6 CO -0.05 -0.22 -0.11 0.08 0.00 0.00 0.00 175.76 175.46 1vln s VAL 7 N -2.51 2.20 -0.00 0.00 1.01 -0.59 -0.32 120.40 120.19 1vln s VAL 7 Ca -0.04 -1.60 -0.07 0.00 0.00 0.00 0.00 61.98 60.27 1vln s VAL 7 Cb -0.02 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.03 1vln s VAL 7 CO -0.04 -0.01 0.26 -1.83 0.00 0.00 0.00 175.10 173.48 1vln s GLU 8 N 1.12 3.58 -0.69 2.72 -1.05 -0.39 -1.86 118.70 122.14 1vln s GLU 8 Ca -0.08 -0.06 -0.01 0.00 -0.15 0.00 0.00 54.97 54.67 1vln s GLU 8 Cb -0.20 -3.10 0.17 0.00 -0.44 0.00 0.00 34.13 30.57 1vln s GLU 8 CO -0.05 0.66 0.51 -0.51 0.95 0.00 0.00 175.26 176.82 1vln s LEU 9 N -1.66 5.16 -0.47 1.83 1.43 0.56 -2.19 118.68 123.34 1vln s LEU 9 Ca 0.26 -3.19 -0.24 0.00 -1.03 0.00 0.00 54.13 49.94 1vln s LEU 9 Cb -0.13 -1.82 0.03 0.00 0.03 0.00 0.00 46.19 44.30 1vln s LEU 9 CO 0.15 -0.28 0.83 -0.62 0.23 0.00 0.00 176.35 176.66 1vln s ASP 10 N 0.14 6.41 0.06 2.29 -1.08 0.41 -1.73 116.67 123.18 1vln s ASP 10 Ca 0.20 -0.13 0.00 0.00 -0.52 0.00 0.00 52.55 52.11 1vln s ASP 10 Cb -0.16 -2.40 -0.26 0.00 -1.46 0.00 0.00 42.92 38.64 1vln s ASP 10 CO -0.06 -0.98 1.07 0.71 0.52 0.00 0.00 175.17 176.43 1vln h THR 11 N 6.00 1.43 -3.34 1.71 1.35 -1.75 0.38 112.91 118.69 1vln h THR 11 Ca -0.25 -3.07 -0.66 0.00 -0.55 0.00 0.00 66.41 61.88 1vln h THR 11 Cb 1.08 2.83 -0.17 0.00 -1.73 0.00 0.00 68.15 70.16 1vln h THR 11 CO 0.99 0.87 -0.63 -0.47 -0.25 0.00 0.00 175.52 176.03 1vln s TYR 12 N -2.66 3.11 -0.47 4.73 6.14 -1.24 -4.37 117.35 122.59 1vln s TYR 12 Ca -0.04 0.03 -0.23 0.00 0.64 0.00 0.00 57.07 57.48 1vln s TYR 12 Cb 0.08 -1.86 0.03 0.00 0.42 0.00 0.00 41.96 40.63 1vln s TYR 12 CO 0.85 0.29 0.79 -1.25 0.64 0.00 0.00 175.55 176.87 1vln s PRO 13 N -0.40 3.35 -1.08 4.97 0.04 -1.26 -4.96 135.00 135.65 1vln s PRO 13 Ca 0.07 -0.23 -0.06 0.00 0.04 0.00 0.00 61.00 60.82 1vln s PRO 13 Cb -0.12 -3.98 0.29 0.00 0.04 0.00 0.00 34.50 30.73 1vln s PRO 13 CO 0.02 -1.19 1.22 0.09 0.04 0.00 0.00 177.00 177.19 1vln n ASN 14 N 6.77 5.74 0.25 6.66 4.13 -1.26 -4.87 115.26 132.69 1vln n ASN 14 Ca 0.01 -3.19 0.17 0.00 1.68 0.00 0.00 54.58 53.25 1vln n ASN 14 Cb 0.48 -1.31 0.91 0.00 -1.54 0.00 0.00 39.78 38.32 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 3.58 0.00 0.00 3.41 1.35 -1.87 -1.94 112.91 117.44 1vln h THR 15 Ca 0.19 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 66.02 1vln h THR 15 Cb 0.77 0.79 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 1vln h THR 15 CO 1.12 0.00 0.00 -2.24 -0.25 0.00 0.00 175.52 174.15 1vln h ASP 16 N 0.00 0.00 -0.16 5.36 2.03 -1.89 -2.87 116.42 118.90 1vln h ASP 16 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1vln h ASP 16 Cb 0.03 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.53 1vln h ASP 16 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 179.24 180.51 1vln n ILE 17 N -3.08 2.08 -0.00 4.15 -5.35 -0.81 -4.97 119.36 111.37 1vln n ILE 17 Ca 0.02 -2.00 0.00 0.00 -0.27 0.00 0.00 62.75 60.50 1vln n ILE 17 Cb 0.38 -0.22 0.00 0.00 -1.74 0.00 0.00 39.64 38.06 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 -0.85 0.38 3.75 3.28 0.00 -1.08 -4.72 105.19 105.95 1vln n GLY 18 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.76 6.70 0.83 1.61 1.11 -0.80 -4.93 116.67 118.43 1vln s ASP 19 Ca 0.00 2.63 -0.11 0.00 0.18 0.00 0.00 52.55 55.26 1vln s ASP 19 Cb 0.00 -2.62 0.09 0.00 1.07 0.00 0.00 42.92 41.46 1vln s ASP 19 CO 0.00 -0.66 1.12 -2.16 1.18 0.00 0.00 175.17 174.65 1vln s PRO 20 N -0.51 1.75 -0.69 8.23 0.04 -1.26 -3.89 135.00 138.67 1vln s PRO 20 Ca 0.58 1.36 -0.07 0.00 0.04 0.00 0.00 61.00 62.90 1vln s PRO 20 Cb -0.41 -1.83 -0.17 0.00 0.04 0.00 0.00 34.50 32.14 1vln s PRO 20 CO 0.44 -2.05 3.04 0.43 0.04 0.00 0.00 177.00 178.90 1vln n SER 21 N -3.76 6.19 -3.64 6.66 7.64 -1.26 -4.68 113.62 120.78 1vln n SER 21 Ca 0.10 -2.44 -0.01 0.00 1.01 0.00 0.00 58.87 57.53 1vln n SER 21 Cb 0.52 -1.35 -0.02 0.00 -1.01 0.00 0.00 64.21 62.35 1vln n SER 21 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 1vln s TYR 22 N 1.81 -0.01 0.69 1.43 -0.85 -1.26 -5.05 117.35 114.11 1vln s TYR 22 Ca 0.61 0.00 -0.17 0.00 -0.52 0.00 0.00 57.07 57.00 1vln s TYR 22 Cb 0.23 0.50 0.01 0.00 0.38 0.00 0.00 41.96 43.08 1vln s TYR 22 CO -0.03 -0.01 1.24 -2.30 -1.52 0.00 0.00 175.55 172.94 1vln n PRO 23 N -0.07 0.85 -3.83 -3.49 -0.02 -1.26 -4.63 135.00 122.55 1vln n PRO 23 Ca 0.04 0.35 -0.07 0.00 -2.02 0.00 0.00 63.50 61.80 1vln n PRO 23 Cb 0.57 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 1vln n PRO 23 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1vln s HIS 24 N -1.59 -0.02 0.10 6.00 -3.43 0.12 -2.12 115.29 114.35 1vln s HIS 24 Ca 0.80 -0.52 0.10 0.00 -0.80 0.00 0.00 55.06 54.64 1vln s HIS 24 Cb -0.36 0.76 -0.04 0.00 -1.43 0.00 0.00 32.58 31.52 1vln s HIS 24 CO 0.43 -1.33 -0.26 0.96 -2.00 0.00 0.00 174.74 172.55 1vln s ILE 25 N -2.98 2.15 0.16 -5.38 -4.36 -0.59 -0.44 121.20 109.75 1vln s ILE 25 Ca 0.14 -1.60 -0.22 0.00 -0.26 0.00 0.00 60.65 58.71 1vln s ILE 25 Cb -0.05 -1.88 0.06 0.00 1.25 0.00 0.00 42.46 41.84 1vln s ILE 25 CO 0.08 0.17 0.57 -0.83 0.24 0.00 0.00 174.94 175.17 1vln s GLY 26 N -1.75 -0.56 -0.26 6.27 0.00 -0.93 -0.54 107.32 109.55 1vln s GLY 26 Ca 0.12 0.40 -0.11 0.00 0.00 0.00 0.00 44.72 45.14 1vln s GLY 26 CO 0.04 0.09 0.17 -0.42 0.00 0.00 0.00 173.10 172.99 1vln s ILE 27 N -3.76 5.33 -0.19 0.90 -1.09 -0.29 -1.26 121.20 120.83 1vln s ILE 27 Ca 0.01 0.17 -0.02 0.00 -2.23 0.00 0.00 60.65 58.59 1vln s ILE 27 Cb -0.01 -3.51 -0.00 0.00 -1.58 0.00 0.00 42.46 37.36 1vln s ILE 27 CO -0.13 0.30 -0.10 -1.81 -1.23 0.00 0.00 174.94 171.97 1vln s ASP 28 N 1.42 3.99 -0.42 3.58 1.01 0.56 0.08 116.67 126.90 1vln s ASP 28 Ca 0.07 -0.43 0.03 0.00 0.71 0.00 0.00 52.55 52.94 1vln s ASP 28 Cb -0.15 -1.65 0.11 0.00 1.01 0.00 0.00 42.92 42.24 1vln s ASP 28 CO 0.08 0.03 0.14 -0.63 0.21 0.00 0.00 175.17 175.00 1vln s ILE 29 N 1.15 2.49 -0.30 0.77 -1.09 -1.26 -0.49 121.20 122.46 1vln s ILE 29 Ca 0.01 -2.70 0.00 0.00 -2.23 0.00 0.00 60.65 55.74 1vln s ILE 29 Cb -0.14 -2.78 0.00 0.00 -1.58 0.00 0.00 42.46 37.95 1vln s ILE 29 CO -0.03 -0.68 0.00 0.29 -1.23 0.00 0.00 174.94 173.29 1vln n LYS 30 N 3.84 -1.48 -3.67 2.79 5.02 -0.38 -4.93 118.16 119.34 1vln n LYS 30 Ca 0.04 0.51 -0.15 0.00 -2.02 0.00 0.00 58.31 56.69 1vln n LYS 30 Cb 0.38 -4.68 -0.08 0.00 -0.02 0.00 0.00 35.03 30.63 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 -2.14 -0.48 0.42 4.39 0.15 -1.26 -4.96 113.70 109.81 1vln s SER 31 Ca 0.00 0.72 0.29 0.00 0.70 0.00 0.00 55.95 57.66 1vln s SER 31 Cb 0.00 0.74 1.07 0.00 -1.71 0.00 0.00 66.02 66.13 1vln s SER 31 CO 0.00 -0.36 1.84 1.62 1.20 0.00 0.00 173.24 177.54 1vln h VAL 32 N 3.87 0.00 -2.03 4.45 3.04 -1.89 -3.38 116.25 120.31 1vln h VAL 32 Ca -0.28 -0.49 -0.62 0.00 -1.01 0.00 0.00 66.70 64.30 1vln h VAL 32 Cb 1.17 1.41 -0.13 0.00 -2.01 0.00 0.00 31.29 31.73 1vln h VAL 32 CO 0.29 0.00 1.03 -0.13 -1.01 0.00 0.00 177.57 177.74 1vln s ARG 33 N -3.45 3.42 0.30 4.17 0.52 -1.26 -4.98 118.95 117.66 1vln s ARG 33 Ca 0.04 -1.10 -0.26 0.00 -0.52 0.00 0.00 55.73 53.89 1vln s ARG 33 Cb 0.09 -4.79 -0.15 0.00 0.52 0.00 0.00 34.95 30.61 1vln s ARG 33 CO 0.52 -1.99 0.53 0.43 0.02 0.00 0.00 175.30 174.81 1vln n SER 34 N 8.03 -1.03 0.08 0.23 7.64 -1.26 -4.85 113.62 122.46 1vln n SER 34 Ca 0.18 1.04 0.13 0.00 1.01 0.00 0.00 58.87 61.22 1vln n SER 34 Cb 0.49 -1.03 0.35 0.00 -1.01 0.00 0.00 64.21 63.01 1vln n SER 34 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1vln n LYS 35 N 0.93 0.24 -3.64 1.43 4.01 0.11 -4.81 118.16 116.43 1vln n LYS 35 Ca 0.14 0.15 -0.08 0.00 -0.51 0.00 0.00 58.31 58.01 1vln n LYS 35 Cb 0.32 -1.74 -0.07 0.00 -0.51 0.00 0.00 35.03 33.03 1vln n LYS 35 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 1vln s LYS 36 N -3.11 0.51 0.30 1.97 2.47 -1.25 -5.00 119.74 115.63 1vln s LYS 36 Ca 0.10 0.67 0.03 0.00 -1.56 0.00 0.00 55.97 55.21 1vln s LYS 36 Cb 0.13 0.21 -0.06 0.00 -1.46 0.00 0.00 37.83 36.66 1vln s LYS 36 CO 0.63 -0.07 0.06 0.95 0.16 0.00 0.00 175.35 177.08 1vln s THR 37 N 0.54 1.05 -0.14 3.43 -4.23 -1.26 -1.14 115.64 113.90 1vln s THR 37 Ca -0.00 -2.01 -0.12 0.00 -1.18 0.00 0.00 61.69 58.38 1vln s THR 37 Cb -0.05 -2.70 0.04 0.00 1.34 0.00 0.00 72.50 71.13 1vln s THR 37 CO -0.08 -0.05 0.35 0.00 -0.54 0.00 0.00 174.62 174.30 1vln s ALA 38 N -3.40 -0.88 0.28 3.99 0.00 0.30 -4.96 121.76 117.10 1vln s ALA 38 Ca 0.36 1.05 -0.30 0.00 0.00 0.00 0.00 51.96 53.07 1vln s ALA 38 Cb 0.08 -0.62 -0.11 0.00 0.00 0.00 0.00 23.12 22.47 1vln s ALA 38 CO 0.14 -0.18 1.60 0.21 0.00 0.00 0.00 175.76 177.53 1vln s LYS 39 N 0.37 4.13 -0.12 0.00 2.20 -1.26 -1.55 119.74 123.52 1vln s LYS 39 Ca -0.01 2.56 -0.00 0.00 -0.36 0.00 0.00 55.97 58.15 1vln s LYS 39 Cb -0.03 -3.04 0.02 0.00 -1.51 0.00 0.00 37.83 33.27 1vln s LYS 39 CO -0.01 -0.63 -0.10 -0.46 -0.36 0.00 0.00 175.35 173.79 1vln s TRP 40 N 0.15 1.68 -1.21 4.03 -0.00 -0.90 -4.76 118.94 117.94 1vln s TRP 40 Ca 0.64 -0.87 -0.15 0.00 -0.00 0.00 0.00 56.10 55.72 1vln s TRP 40 Cb -0.47 -1.33 0.14 0.00 -0.00 0.00 0.00 33.47 31.81 1vln s TRP 40 CO 0.46 -0.55 1.48 -0.80 -0.00 0.00 0.00 176.95 177.54 1vln s ASN 41 N 1.58 6.98 0.25 5.86 0.01 -1.26 -4.43 114.94 123.92 1vln s ASN 41 Ca 0.04 -2.77 -0.30 0.00 -0.71 0.00 0.00 52.86 49.11 1vln s ASN 41 Cb -0.13 -2.45 -0.11 0.00 0.41 0.00 0.00 41.25 38.98 1vln s ASN 41 CO -0.08 -0.88 1.53 -0.32 -1.51 0.00 0.00 177.10 175.84 1vln s MET 42 N 2.34 4.20 -0.29 -0.60 -2.45 -1.26 -5.02 119.30 116.22 1vln s MET 42 Ca 0.45 2.42 -0.04 0.00 -1.25 0.00 0.00 55.69 57.27 1vln s MET 42 Cb -0.01 -3.09 0.03 0.00 1.25 0.00 0.00 34.83 33.01 1vln s MET 42 CO 0.01 -0.54 0.03 -0.65 1.05 0.00 0.00 175.02 174.91 1vln s GLN 43 N -0.05 2.81 0.19 4.11 -0.21 -1.26 -5.09 119.66 120.17 1vln s GLN 43 Ca 0.63 -1.02 -0.31 0.00 0.02 0.00 0.00 55.36 54.68 1vln s GLN 43 Cb -0.45 -3.24 -0.10 0.00 1.00 0.00 0.00 33.01 30.23 1vln s GLN 43 CO 0.42 -0.50 1.51 1.21 -2.12 0.00 0.00 175.29 175.81 1vln s ASN 44 N 1.39 6.62 0.00 5.90 3.84 -1.26 -3.04 114.94 128.38 1vln s ASN 44 Ca -0.00 2.61 0.00 0.00 0.21 0.00 0.00 52.86 55.68 1vln s ASN 44 Cb -0.18 -2.60 0.00 0.00 -0.55 0.00 0.00 41.25 37.92 1vln s ASN 44 CO -0.00 -0.77 0.00 0.61 -2.79 0.00 0.00 177.10 174.15 1vln n GLY 45 N 3.19 2.38 3.92 1.21 0.00 -0.49 -5.01 105.19 110.40 1vln n GLY 45 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.16 3.48 -0.14 1.61 -0.14 -1.17 -4.95 119.74 118.27 1vln s LYS 46 Ca 0.00 -0.39 -0.25 0.00 -1.36 0.00 0.00 55.97 53.97 1vln s LYS 46 Cb 0.00 -2.99 -0.02 0.00 -1.68 0.00 0.00 37.83 33.14 1vln s LYS 46 CO 0.00 0.56 0.79 0.08 -0.76 0.00 0.00 175.35 176.02 1vln s VAL 47 N -1.58 4.93 0.47 3.17 1.01 -1.26 -4.28 120.40 122.86 1vln s VAL 47 Ca 0.36 1.57 0.05 0.00 0.00 0.00 0.00 61.98 63.96 1vln s VAL 47 Cb -0.12 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 1vln s VAL 47 CO 0.28 0.10 0.14 -0.83 0.00 0.00 0.00 175.10 174.79 1vln s GLY 48 N 1.06 2.57 -0.04 4.51 0.00 -0.40 -4.57 107.32 110.47 1vln s GLY 48 Ca 0.38 -1.48 0.02 0.00 0.00 0.00 0.00 44.72 43.64 1vln s GLY 48 CO 0.15 -2.03 -0.07 -1.59 0.00 0.00 0.00 173.10 169.56 1vln s THR 49 N -2.73 0.65 -0.12 0.90 2.01 -0.47 -1.75 115.64 114.13 1vln s THR 49 Ca 0.28 -0.24 0.02 0.00 0.31 0.00 0.00 61.69 62.06 1vln s THR 49 Cb 0.03 -0.62 -0.00 0.00 0.01 0.00 0.00 72.50 71.91 1vln s THR 49 CO 0.16 0.23 -0.20 0.00 -0.69 0.00 0.00 174.62 174.12 1vln s ALA 50 N 0.54 2.34 -0.16 7.40 0.00 -0.06 -1.30 121.76 130.52 1vln s ALA 50 Ca -0.08 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 50.91 1vln s ALA 50 Cb -0.11 -1.00 0.03 0.00 0.00 0.00 0.00 23.12 22.04 1vln s ALA 50 CO 0.01 0.19 -0.13 -1.58 0.00 0.00 0.00 175.76 174.24 1vln s HIS 51 N 0.48 2.24 -0.02 0.00 5.04 -0.33 -1.72 115.29 120.97 1vln s HIS 51 Ca -0.13 -1.33 0.03 0.00 -1.54 0.00 0.00 55.06 52.09 1vln s HIS 51 Cb -0.17 -1.61 -0.03 0.00 0.04 0.00 0.00 32.58 30.81 1vln s HIS 51 CO 0.05 -0.69 -0.10 0.42 -2.34 0.00 0.00 174.74 172.08 1vln s ILE 52 N 1.46 3.41 0.00 0.89 1.09 -0.40 -1.10 121.20 126.56 1vln s ILE 52 Ca 0.03 -0.74 -0.07 0.00 -1.10 0.00 0.00 60.65 58.76 1vln s ILE 52 Cb -0.14 -2.42 0.00 0.00 -1.06 0.00 0.00 42.46 38.84 1vln s ILE 52 CO -0.10 0.48 0.14 0.27 -0.10 0.00 0.00 174.94 175.63 1vln s ILE 53 N -0.88 0.08 -0.15 2.92 -4.36 -0.54 -1.25 121.20 117.02 1vln s ILE 53 Ca 0.14 -0.69 -0.19 0.00 -0.26 0.00 0.00 60.65 59.66 1vln s ILE 53 Cb -0.11 -0.43 0.05 0.00 1.25 0.00 0.00 42.46 43.22 1vln s ILE 53 CO 0.04 -0.38 0.51 -0.47 0.24 0.00 0.00 174.94 174.88 1vln s TYR 54 N -1.38 -0.52 -0.07 1.37 5.04 -0.89 -1.93 117.35 118.98 1vln s TYR 54 Ca -0.15 1.19 -0.08 0.00 -2.44 0.00 0.00 57.07 55.60 1vln s TYR 54 Cb -0.08 0.21 0.02 0.00 0.35 0.00 0.00 41.96 42.46 1vln s TYR 54 CO 0.02 -0.33 0.21 0.54 -1.34 0.00 0.00 175.55 174.64 1vln s ASN 55 N -0.14 -0.19 0.32 4.32 2.20 -1.26 -1.64 114.94 118.55 1vln s ASN 55 Ca -0.03 0.33 0.26 0.00 -0.94 0.00 0.00 52.86 52.48 1vln s ASN 55 Cb -0.03 0.40 1.04 0.00 -2.00 0.00 0.00 41.25 40.66 1vln s ASN 55 CO 0.02 -0.13 1.77 0.77 -2.94 0.00 0.00 177.10 176.59 1vln h SER 56 N 5.51 0.00 -0.09 3.54 4.64 -1.43 0.39 113.55 126.11 1vln h SER 56 Ca -0.26 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.92 1vln h SER 56 Cb 1.19 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.29 1vln h SER 56 CO 0.38 0.00 -0.46 0.58 -0.87 0.00 0.00 176.83 176.46 1vln h VAL 57 N 0.00 1.38 0.00 0.95 2.07 -1.89 -3.33 116.25 115.43 1vln h VAL 57 Ca 0.00 -1.81 -0.28 0.00 0.82 0.00 0.00 66.70 65.43 1vln h VAL 57 Cb 0.43 2.24 -0.05 0.00 -1.52 0.00 0.00 31.29 32.39 1vln h VAL 57 CO 0.00 0.54 -1.66 0.44 0.02 0.00 0.00 177.57 176.90 1vln h ASP 58 N 0.05 0.00 -6.07 0.57 3.32 -1.97 -3.48 116.42 108.83 1vln h ASP 58 Ca -0.03 0.00 -0.41 0.00 0.02 0.00 0.00 57.03 56.61 1vln h ASP 58 Cb 1.11 0.00 0.06 0.00 0.22 0.00 0.00 39.33 40.72 1vln h ASP 58 CO 0.10 0.96 -0.85 0.29 -1.72 0.00 0.00 179.24 178.02 1vln n LYS 59 N -3.03 -4.32 -4.00 3.56 5.02 0.12 -4.91 118.16 110.60 1vln n LYS 59 Ca -0.16 0.61 -0.23 0.00 -2.02 0.00 0.00 58.31 56.51 1vln n LYS 59 Cb 1.03 -5.09 -0.17 0.00 -0.02 0.00 0.00 35.03 30.78 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 -5.89 1.03 -0.27 1.97 3.52 -1.26 -1.31 118.95 116.74 1vln s ARG 60 Ca 0.08 -0.10 -0.14 0.00 -0.13 0.00 0.00 55.73 55.44 1vln s ARG 60 Cb -0.02 -1.15 -0.04 0.00 -1.56 0.00 0.00 34.95 32.18 1vln s ARG 60 CO 0.81 -0.20 0.31 -1.17 -0.81 0.00 0.00 175.30 174.25 1vln s LEU 61 N 1.48 4.03 0.12 -0.88 2.96 -0.03 -4.19 118.68 122.18 1vln s LEU 61 Ca -0.01 0.20 0.07 0.00 -0.22 0.00 0.00 54.13 54.16 1vln s LEU 61 Cb -0.13 -2.33 -0.04 0.00 0.50 0.00 0.00 46.19 44.19 1vln s LEU 61 CO -0.04 -0.14 -0.16 -0.44 -1.32 0.00 0.00 176.35 174.25 1vln s SER 62 N 1.66 2.23 -0.01 3.68 0.01 -0.81 -1.04 113.70 119.42 1vln s SER 62 Ca 0.12 -0.77 -0.05 0.00 1.31 0.00 0.00 55.95 56.56 1vln s SER 62 Cb -0.16 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 65.97 1vln s SER 62 CO 0.10 -0.07 0.11 0.00 0.41 0.00 0.00 173.24 173.80 1vln s ALA 63 N -1.79 -0.26 -0.03 1.44 0.00 -0.20 -1.47 121.76 119.44 1vln s ALA 63 Ca 0.08 -0.05 0.02 0.00 0.00 0.00 0.00 51.96 52.01 1vln s ALA 63 Cb -0.07 0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.08 1vln s ALA 63 CO 0.04 -0.16 -0.06 0.08 0.00 0.00 0.00 175.76 175.66 1vln s VAL 64 N -0.95 0.61 -0.05 0.00 1.01 -0.26 -1.88 120.40 118.89 1vln s VAL 64 Ca -0.10 -0.22 0.05 0.00 0.00 0.00 0.00 61.98 61.70 1vln s VAL 64 Cb -0.06 -0.59 -0.00 0.00 0.00 0.00 0.00 36.38 35.73 1vln s VAL 64 CO 0.01 0.22 -0.19 -0.69 0.00 0.00 0.00 175.10 174.45 1vln s VAL 65 N 0.54 1.58 0.16 2.92 1.01 -0.21 -1.19 120.40 125.19 1vln s VAL 65 Ca -0.07 -0.79 -0.13 0.00 0.00 0.00 0.00 61.98 60.98 1vln s VAL 65 Cb -0.11 -1.35 0.01 0.00 0.00 0.00 0.00 36.38 34.93 1vln s VAL 65 CO 0.00 0.45 0.37 -0.94 0.00 0.00 0.00 175.10 174.99 1vln s SER 66 N 0.04 -0.10 0.13 3.32 1.04 -0.42 -1.73 113.70 115.98 1vln s SER 66 Ca -0.05 -0.60 0.10 0.00 0.48 0.00 0.00 55.95 55.89 1vln s SER 66 Cb -0.12 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.43 1vln s SER 66 CO 0.03 -0.91 -0.24 -0.31 0.98 0.00 0.00 173.24 172.78 1vln s TYR 67 N -3.89 2.13 0.20 5.02 2.02 -1.26 -1.37 117.35 120.20 1vln s TYR 67 Ca 0.10 -0.39 -0.33 0.00 -0.37 0.00 0.00 57.07 56.08 1vln s TYR 67 Cb 0.02 -1.14 -0.14 0.00 -0.40 0.00 0.00 41.96 40.30 1vln s TYR 67 CO -0.05 0.32 1.45 -2.30 -1.57 0.00 0.00 175.55 173.40 1vln n PRO 68 N 0.85 1.97 -2.79 -1.71 -0.02 -1.26 -1.61 135.00 130.42 1vln n PRO 68 Ca -0.18 0.70 -0.17 0.00 -2.02 0.00 0.00 63.50 61.83 1vln n PRO 68 Cb 0.54 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 1vln n PRO 68 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1vln n ASN 69 N 2.64 -4.30 -4.33 2.55 4.13 -1.26 -4.95 115.26 109.74 1vln n ASN 69 Ca 0.14 -0.06 -0.17 0.00 1.68 0.00 0.00 54.58 56.18 1vln n ASN 69 Cb 0.29 -3.59 -0.10 0.00 -1.54 0.00 0.00 39.78 34.84 1vln n ASN 69 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1vln s ALA 70 N -2.82 1.82 1.01 5.41 0.00 -0.64 -5.15 121.76 121.40 1vln s ALA 70 Ca 0.16 -1.72 -0.12 0.00 0.00 0.00 0.00 51.96 50.28 1vln s ALA 70 Cb -0.08 0.32 0.20 0.00 0.00 0.00 0.00 23.12 23.55 1vln s ALA 70 CO 0.20 -0.17 1.09 -0.51 0.00 0.00 0.00 175.76 176.36 1vln s ASP 71 N -3.30 2.50 0.16 0.00 1.11 -1.26 -4.58 116.67 111.32 1vln s ASP 71 Ca 0.26 1.19 0.11 0.00 0.18 0.00 0.00 52.55 54.28 1vln s ASP 71 Cb 0.04 -1.86 -0.04 0.00 1.07 0.00 0.00 42.92 42.14 1vln s ASP 71 CO 0.07 -3.21 -0.24 -0.44 1.18 0.00 0.00 175.17 172.54 1vln s SER 72 N -3.42 3.20 -0.07 0.27 0.01 -1.26 -4.25 113.70 108.17 1vln s SER 72 Ca 0.66 -0.82 -0.00 0.00 1.31 0.00 0.00 55.95 57.10 1vln s SER 72 Cb -0.19 -0.22 -0.03 0.00 0.21 0.00 0.00 66.02 65.79 1vln s SER 72 CO 0.58 0.11 -0.04 0.00 0.41 0.00 0.00 173.24 174.29 1vln s ALA 73 N -1.52 3.09 0.05 1.44 0.00 -0.70 -4.97 121.76 119.15 1vln s ALA 73 Ca 0.17 -0.86 0.03 0.00 0.00 0.00 0.00 51.96 51.30 1vln s ALA 73 Cb -0.08 -1.32 -0.02 0.00 0.00 0.00 0.00 23.12 21.69 1vln s ALA 73 CO 0.08 0.58 -0.09 0.99 0.00 0.00 0.00 175.76 177.31 1vln s THR 74 N -0.83 0.68 -0.13 0.00 2.01 -1.26 -1.05 115.64 115.07 1vln s THR 74 Ca 0.13 -1.11 -0.14 0.00 0.31 0.00 0.00 61.69 60.88 1vln s THR 74 Cb -0.11 -0.72 0.04 0.00 0.01 0.00 0.00 72.50 71.72 1vln s THR 74 CO 0.02 -0.32 0.38 0.54 -0.69 0.00 0.00 174.62 174.54 1vln s VAL 75 N -1.31 0.01 0.01 3.82 0.11 -0.79 -4.73 120.40 117.52 1vln s VAL 75 Ca -0.08 -0.06 -0.02 0.00 -2.93 0.00 0.00 61.98 58.89 1vln s VAL 75 Cb -0.10 -0.56 -0.01 0.00 -1.53 0.00 0.00 36.38 34.19 1vln s VAL 75 CO 0.01 -0.03 0.03 -0.44 -3.33 0.00 0.00 175.10 171.34 1vln s SER 76 N -0.01 0.11 -0.08 3.54 0.01 -1.26 -1.03 113.70 114.99 1vln s SER 76 Ca -0.02 -0.27 -0.05 0.00 1.31 0.00 0.00 55.95 56.92 1vln s SER 76 Cb -0.03 0.13 0.03 0.00 0.21 0.00 0.00 66.02 66.36 1vln s SER 76 CO 0.01 -0.24 0.19 -0.47 0.41 0.00 0.00 173.24 173.14 1vln s TYR 77 N -1.04 -0.22 -0.26 2.43 5.04 -0.21 -4.95 117.35 118.13 1vln s TYR 77 Ca -0.11 0.56 -0.26 0.00 -2.44 0.00 0.00 57.07 54.81 1vln s TYR 77 Cb -0.07 0.03 0.00 0.00 0.35 0.00 0.00 41.96 42.27 1vln s TYR 77 CO -0.00 -0.15 0.92 -0.51 -1.34 0.00 0.00 175.55 174.47 1vln s ASP 78 N 0.63 6.90 -0.19 4.32 1.01 -1.26 -0.85 116.67 127.23 1vln s ASP 78 Ca -0.04 1.09 -0.12 0.00 0.71 0.00 0.00 52.55 54.19 1vln s ASP 78 Cb -0.06 -2.48 0.06 0.00 1.01 0.00 0.00 42.92 41.45 1vln s ASP 78 CO -0.03 -0.63 0.47 0.54 0.21 0.00 0.00 175.17 175.73 1vln s VAL 79 N 3.08 -0.02 -0.71 -1.27 0.11 -0.43 -4.98 120.40 116.18 1vln s VAL 79 Ca 0.39 0.06 -0.18 0.00 -2.93 0.00 0.00 61.98 59.32 1vln s VAL 79 Cb -0.15 -0.68 0.13 0.00 -1.53 0.00 0.00 36.38 34.15 1vln s VAL 79 CO 0.09 0.02 0.81 -0.62 -3.33 0.00 0.00 175.10 172.08 1vln s ASP 80 N 1.22 6.39 0.53 3.54 -1.08 -1.26 -4.35 116.67 121.65 1vln s ASP 80 Ca -0.08 -1.79 0.36 0.00 -0.52 0.00 0.00 52.55 50.52 1vln s ASP 80 Cb -0.07 -2.31 1.86 0.00 -1.46 0.00 0.00 42.92 40.95 1vln s ASP 80 CO -0.11 -1.01 2.09 -0.07 0.52 0.00 0.00 175.17 176.58 1vln h LEU 81 N 9.69 0.00 -2.13 -1.34 3.38 -1.98 -2.10 115.31 120.83 1vln h LEU 81 Ca -0.12 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1vln h LEU 81 Cb 1.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 1vln h LEU 81 CO 1.04 0.00 -0.07 0.44 0.09 0.00 0.00 178.44 179.94 1vln h ASP 82 N 0.00 0.00 -0.03 -0.43 5.19 -1.91 0.94 116.42 120.19 1vln h ASP 82 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1vln h ASP 82 Cb 0.09 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.60 1vln h ASP 82 CO 0.00 0.07 -0.02 0.59 -3.12 0.00 0.00 179.24 176.76 1vln n ASN 83 N -3.91 2.91 -0.05 6.45 4.13 -0.79 -4.52 115.26 119.48 1vln n ASN 83 Ca -0.03 -1.96 -0.08 0.00 1.68 0.00 0.00 54.58 54.19 1vln n ASN 83 Cb 0.16 0.02 -0.04 0.00 -1.54 0.00 0.00 39.78 38.37 1vln n ASN 83 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1vln n VAL 84 N 1.26 0.56 -4.19 2.41 0.31 -0.46 -5.08 118.33 113.15 1vln n VAL 84 Ca 0.14 -0.19 -0.26 0.00 -0.01 0.00 0.00 64.34 64.02 1vln n VAL 84 Cb 0.59 -1.08 -0.07 0.00 -0.91 0.00 0.00 33.84 32.36 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 -5.87 3.44 1.18 7.52 1.43 0.20 -4.99 118.68 121.59 1vln s LEU 85 Ca -0.14 -0.37 -0.18 0.00 -1.03 0.00 0.00 54.13 52.41 1vln s LEU 85 Cb 0.04 -2.05 0.28 0.00 0.03 0.00 0.00 46.19 44.48 1vln s LEU 85 CO 0.21 0.06 1.11 -2.16 0.23 0.00 0.00 176.35 175.80 1vln s PRO 86 N -3.16 -1.05 0.13 1.29 0.04 -1.26 -4.75 135.00 126.24 1vln s PRO 86 Ca 0.29 -0.00 0.04 0.00 0.04 0.00 0.00 61.00 61.37 1vln s PRO 86 Cb -0.09 -1.61 -0.16 0.00 0.04 0.00 0.00 34.50 32.68 1vln s PRO 86 CO 0.20 -3.61 1.28 1.49 0.04 0.00 0.00 177.00 176.41 1vln h GLU 87 N -2.51 0.09 -5.16 4.56 4.81 -1.95 -3.43 114.58 110.99 1vln h GLU 87 Ca -0.46 -0.14 -0.66 0.00 -0.13 0.00 0.00 59.36 57.97 1vln h GLU 87 Cb 1.30 0.05 -0.30 0.00 0.63 0.00 0.00 28.75 30.43 1vln h GLU 87 CO 0.37 1.02 -0.79 -1.58 -0.73 0.00 0.00 179.01 177.30 1vln s TRP 88 N -2.83 2.81 0.28 0.92 0.52 -1.26 -1.57 118.94 117.82 1vln s TRP 88 Ca -0.01 -1.03 0.04 0.00 0.02 0.00 0.00 56.10 55.12 1vln s TRP 88 Cb 0.09 -1.92 -0.02 0.00 -1.15 0.00 0.00 33.47 30.48 1vln s TRP 88 CO 0.83 -0.48 0.15 1.33 0.02 0.00 0.00 176.95 178.80 1vln n VAL 89 N 4.16 0.00 -4.20 4.03 0.24 -0.24 -4.39 118.33 117.93 1vln n VAL 89 Ca -0.19 -1.79 -0.18 0.00 -2.04 0.00 0.00 64.34 60.14 1vln n VAL 89 Cb 0.52 0.75 -0.12 0.00 -1.47 0.00 0.00 33.84 33.51 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 -3.10 0.78 0.16 7.34 0.52 -0.15 -0.47 118.95 124.03 1vln s ARG 90 Ca 0.21 -0.85 0.09 0.00 -0.52 0.00 0.00 55.73 54.67 1vln s ARG 90 Cb 0.01 -0.75 -0.04 0.00 0.52 0.00 0.00 34.95 34.69 1vln s ARG 90 CO 0.15 0.17 -0.15 0.14 0.02 0.00 0.00 175.30 175.63 1vln s VAL 91 N -1.15 2.93 0.05 3.52 -7.23 -1.26 -0.89 120.40 116.38 1vln s VAL 91 Ca -0.02 -1.66 -0.05 0.00 -1.81 0.00 0.00 61.98 58.43 1vln s VAL 91 Cb -0.09 -2.41 0.02 0.00 0.56 0.00 0.00 36.38 34.46 1vln s VAL 91 CO 0.02 -0.03 0.24 0.61 -0.31 0.00 0.00 175.10 175.62 1vln n GLY 92 N 0.35 1.21 3.19 2.32 0.00 -0.44 -2.39 105.19 109.43 1vln n GLY 92 Ca -0.13 -0.99 -0.27 0.00 0.00 0.00 0.00 46.02 44.64 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 2.00 0.08 0.99 1.43 0.63 -1.99 118.68 121.81 1vln s LEU 93 Ca 0.05 -0.37 0.05 0.00 -1.03 0.00 0.00 54.13 52.83 1vln s LEU 93 Cb -0.01 -1.04 -0.03 0.00 0.03 0.00 0.00 46.19 45.14 1vln s LEU 93 CO 0.02 0.21 -0.13 -0.55 0.23 0.00 0.00 176.35 176.13 1vln s SER 94 N -0.25 1.61 0.03 2.29 0.15 -0.15 -0.94 113.70 116.45 1vln s SER 94 Ca 0.02 -0.67 -0.24 0.00 0.70 0.00 0.00 55.95 55.77 1vln s SER 94 Cb -0.10 -0.04 0.06 0.00 -1.71 0.00 0.00 66.02 64.23 1vln s SER 94 CO 0.01 -0.13 0.55 0.00 1.20 0.00 0.00 173.24 174.87 1vln s ALA 95 N -1.58 -1.42 0.20 5.45 0.00 -0.98 -0.09 121.76 123.34 1vln s ALA 95 Ca -0.00 0.74 -0.09 0.00 0.00 0.00 0.00 51.96 52.61 1vln s ALA 95 Cb -0.08 0.32 -0.01 0.00 0.00 0.00 0.00 23.12 23.35 1vln s ALA 95 CO 0.02 -0.48 0.32 -1.54 0.00 0.00 0.00 175.76 174.07 1vln s SER 96 N -1.82 0.02 0.08 0.00 1.04 -1.04 -2.48 113.70 109.49 1vln s SER 96 Ca -0.06 -1.01 -0.03 0.00 0.48 0.00 0.00 55.95 55.33 1vln s SER 96 Cb -0.01 0.48 -0.03 0.00 0.10 0.00 0.00 66.02 66.56 1vln s SER 96 CO 0.00 -0.97 0.04 0.42 0.98 0.00 0.00 173.24 173.71 1vln s THR 97 N -4.03 0.18 0.00 2.02 -4.23 -0.37 -1.27 115.64 107.94 1vln s THR 97 Ca 0.24 -1.69 0.00 0.00 -1.18 0.00 0.00 61.69 59.06 1vln s THR 97 Cb 0.03 -1.60 0.00 0.00 1.34 0.00 0.00 72.50 72.27 1vln s THR 97 CO 0.06 -0.80 0.00 0.61 -0.54 0.00 0.00 174.62 173.95 1vln n GLY 98 N 0.03 3.90 0.22 3.99 0.00 -1.26 -1.01 105.19 111.05 1vln n GLY 98 Ca -0.12 -0.47 -0.14 0.00 0.00 0.00 0.00 46.02 45.29 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 0.81-10.31 0.99 5.85 -1.96 -1.83 115.31 108.85 1vln h LEU 99 Ca 0.00 -0.50 -0.44 0.00 0.84 0.00 0.00 57.88 57.77 1vln h LEU 99 Cb 0.00 -0.24 0.01 0.00 0.37 0.00 0.00 40.66 40.80 1vln h LEU 99 CO 0.00 1.28 -0.31 -0.31 -0.34 0.00 0.00 178.44 178.75 1vln s TYR 100 N -3.81 3.17 0.31 1.25 1.51 -1.26 -4.95 117.35 113.57 1vln s TYR 100 Ca -0.09 -0.13 -0.05 0.00 -1.01 0.00 0.00 57.07 55.79 1vln s TYR 100 Cb 0.10 -1.99 -0.00 0.00 -0.11 0.00 0.00 41.96 39.96 1vln s TYR 100 CO 0.88 -0.01 0.45 -1.59 -1.11 0.00 0.00 175.55 174.18 1vln s LYS 101 N -4.21 1.77 0.04 -0.62 -2.85 -1.25 -4.41 119.74 108.20 1vln s LYS 101 Ca 0.44 -1.61 -0.28 0.00 -1.00 0.00 0.00 55.97 53.52 1vln s LYS 101 Cb -0.10 0.44 0.10 0.00 -2.06 0.00 0.00 37.83 36.21 1vln s LYS 101 CO 0.32 -0.73 1.11 -1.83 0.10 0.00 0.00 175.35 174.33 1vln s GLU 102 N -3.37 0.75 0.05 1.78 -1.05 -1.19 -3.63 118.70 112.04 1vln s GLU 102 Ca 0.29 -0.40 -0.15 0.00 -0.15 0.00 0.00 54.97 54.56 1vln s GLU 102 Cb 0.00 0.27 -0.06 0.00 -0.44 0.00 0.00 34.13 33.90 1vln s GLU 102 CO 0.16 -0.34 0.47 0.95 0.95 0.00 0.00 175.26 177.45 1vln s THR 103 N -2.83 4.94 -0.62 1.83 -4.23 -0.16 -4.73 115.64 109.83 1vln s THR 103 Ca 0.12 0.88 0.06 0.00 -1.18 0.00 0.00 61.69 61.56 1vln s THR 103 Cb 0.01 -3.75 0.21 0.00 1.34 0.00 0.00 72.50 70.31 1vln s THR 103 CO -0.02 0.48 0.58 0.59 -0.54 0.00 0.00 174.62 175.71 1vln n ASN 104 N 1.50 2.73 -4.78 3.99 4.13 -1.26 -3.74 115.26 117.82 1vln n ASN 104 Ca -0.11 -3.18 -0.37 0.00 1.68 0.00 0.00 54.58 52.61 1vln n ASN 104 Cb 0.52 -0.69 -0.07 0.00 -1.54 0.00 0.00 39.78 38.00 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 -1.70 5.29 -0.19 3.41 2.01 -1.21 -1.10 115.64 122.15 1vln s THR 105 Ca 0.33 0.52 -0.03 0.00 0.31 0.00 0.00 61.69 62.81 1vln s THR 105 Cb 0.06 -3.59 -0.01 0.00 0.01 0.00 0.00 72.50 68.96 1vln s THR 105 CO -0.11 0.48 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.62 1vln s ILE 106 N -0.17 3.44 -0.12 1.82 -1.09 0.10 -1.68 121.20 123.50 1vln s ILE 106 Ca 0.17 -0.49 0.17 0.00 -2.23 0.00 0.00 60.65 58.28 1vln s ILE 106 Cb -0.13 -2.54 -0.21 0.00 -1.58 0.00 0.00 42.46 38.00 1vln s ILE 106 CO 0.06 0.45 0.55 0.18 -1.23 0.00 0.00 174.94 174.95 1vln n LEU 107 N 4.31 0.51 -3.51 2.97 4.32 -0.40 -1.98 117.00 123.23 1vln n LEU 107 Ca -0.18 0.23 -0.11 0.00 -0.02 0.00 0.00 56.01 55.93 1vln n LEU 107 Cb 0.52 0.19 -0.03 0.00 -1.62 0.00 0.00 43.42 42.47 1vln n LEU 107 CO 0.30 0.25 0.61 -0.94 -1.22 0.00 0.00 177.39 176.39 1vln s SER 108 N -5.57 -0.45 -0.25 -1.43 1.04 -1.23 -4.44 113.70 101.36 1vln s SER 108 Ca -0.06 0.21 -0.15 0.00 0.48 0.00 0.00 55.95 56.43 1vln s SER 108 Cb 0.09 0.43 0.07 0.00 0.10 0.00 0.00 66.02 66.71 1vln s SER 108 CO 0.83 -0.63 0.63 0.86 0.98 0.00 0.00 173.24 175.92 1vln s TRP 109 N -2.48 -0.94 0.07 5.02 -0.00 -0.60 -2.24 118.94 117.76 1vln s TRP 109 Ca 0.00 1.93 0.01 0.00 -0.00 0.00 0.00 56.10 58.04 1vln s TRP 109 Cb -0.01 0.52 -0.04 0.00 -0.00 0.00 0.00 33.47 33.95 1vln s TRP 109 CO -0.04 -0.47 -0.05 -1.54 -0.00 0.00 0.00 176.95 174.84 1vln s SER 110 N 1.45 0.82 -0.09 5.86 1.04 0.04 -0.89 113.70 121.94 1vln s SER 110 Ca -0.09 -0.88 -0.18 0.00 0.48 0.00 0.00 55.95 55.28 1vln s SER 110 Cb -0.06 0.12 0.04 0.00 0.10 0.00 0.00 66.02 66.22 1vln s SER 110 CO -0.16 -0.44 0.43 0.12 0.98 0.00 0.00 173.24 174.16 1vln s PHE 111 N -3.12 -0.39 -0.14 5.02 5.36 -0.67 -1.70 117.98 122.33 1vln s PHE 111 Ca 0.04 0.81 -0.06 0.00 -0.96 0.00 0.00 56.93 56.76 1vln s PHE 111 Cb 0.02 0.18 0.06 0.00 -0.34 0.00 0.00 43.02 42.94 1vln s PHE 111 CO -0.05 -0.36 0.29 0.99 -1.46 0.00 0.00 175.22 174.63 1vln s THR 112 N -0.65 -0.35 0.06 0.12 2.01 -0.70 -2.06 115.64 114.07 1vln s THR 112 Ca -0.07 0.22 0.06 0.00 0.31 0.00 0.00 61.69 62.21 1vln s THR 112 Cb -0.03 -0.48 -0.03 0.00 0.01 0.00 0.00 72.50 71.97 1vln s THR 112 CO 0.04 0.09 -0.16 -0.94 -0.69 0.00 0.00 174.62 172.96 1vln s SER 113 N 2.15 1.94 -0.17 3.53 1.04 -0.68 -1.38 113.70 120.13 1vln s SER 113 Ca -0.02 -0.55 -0.14 0.00 0.48 0.00 0.00 55.95 55.72 1vln s SER 113 Cb -0.11 -0.11 0.05 0.00 0.10 0.00 0.00 66.02 65.94 1vln s SER 113 CO -0.09 0.03 0.44 -1.59 0.98 0.00 0.00 173.24 173.01 1vln s LYS 114 N -1.43 0.49 -0.07 4.02 -2.85 -0.85 -1.43 119.74 117.61 1vln s LYS 114 Ca 0.02 0.69 0.03 0.00 -1.00 0.00 0.00 55.97 55.70 1vln s LYS 114 Cb -0.09 0.17 -0.02 0.00 -2.06 0.00 0.00 37.83 35.83 1vln s LYS 114 CO 0.02 -0.09 -0.14 -0.51 0.10 0.00 0.00 175.35 174.73 1vln s LEU 115 N 0.60 2.76 -0.61 2.77 1.43 -0.67 -2.22 118.68 122.73 1vln s LEU 115 Ca -0.03 -0.21 0.04 0.00 -1.03 0.00 0.00 54.13 52.90 1vln s LEU 115 Cb -0.05 -1.58 0.15 0.00 0.03 0.00 0.00 46.19 44.75 1vln s LEU 115 CO -0.04 0.30 0.38 -0.54 0.23 0.00 0.00 176.35 176.69 1vln s LYS 116 N -0.48 2.23 0.31 1.70 3.01 0.11 -1.93 119.74 124.69 1vln s LYS 116 Ca 0.06 -2.97 -0.30 0.00 -1.01 0.00 0.00 55.97 51.75 1vln s LYS 116 Cb -0.12 -3.38 -0.12 0.00 -1.01 0.00 0.00 37.83 33.20 1vln s LYS 116 CO 0.02 -1.19 1.55 0.43 0.51 0.00 0.00 175.35 176.66 1vln n SER 117 N 2.57 3.72 -0.25 2.83 7.64 -1.25 -0.04 113.62 128.84 1vln n SER 117 Ca 0.12 1.17 0.19 0.00 1.01 0.00 0.00 58.87 61.36 1vln n SER 117 Cb 0.34 -1.58 0.30 0.00 -1.01 0.00 0.00 64.21 62.25 1vln n SER 117 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1vln n ASN 118 N 1.77 0.01 -4.72 6.43 0.23 -0.68 -3.92 115.26 114.38 1vln n ASN 118 Ca 0.07 0.40 -0.42 0.00 -0.53 0.00 0.00 54.58 54.10 1vln n ASN 118 Cb 0.37 -0.20 -0.03 0.00 -2.08 0.00 0.00 39.78 37.84 1vln n ASN 118 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 1vln s SER 119 N -4.05 6.74 0.00 0.53 0.01 -1.26 -4.72 113.70 110.95 1vln s SER 119 Ca -0.02 2.47 0.00 0.00 1.31 0.00 0.00 55.95 59.71 1vln s SER 119 Cb 0.10 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.73 1vln s SER 119 CO 0.33 -0.69 0.51 0.35 0.41 0.00 0.00 173.24 174.14 1vln n THR 120 N 3.52 0.00 -2.44 1.44 -2.24 -1.26 -0.69 114.28 112.61 1vln n THR 120 Ca 0.11 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1vln n THR 120 Cb 0.41 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 1vln n THR 120 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1vln n HIS 121 N 2.66 0.00 -1.05 4.78 8.25 -1.26 -4.95 115.22 123.65 1vln n HIS 121 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.32 1vln n HIS 121 Cb 0.25 -1.01 -0.14 0.00 1.12 0.00 0.00 29.99 30.21 1vln n HIS 121 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1vln n GLU 122 N -0.50 2.01 -2.29 -0.41 1.02 0.14 -4.90 120.64 115.70 1vln n GLU 122 Ca 0.00 -1.15 -0.39 0.00 -0.02 0.00 0.00 57.16 55.60 1vln n GLU 122 Cb 0.49 -1.97 -0.03 0.00 -0.02 0.00 0.00 31.44 29.91 1vln n GLU 122 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1vln s THR 123 N 0.47 3.11 -0.01 2.62 2.01 -1.25 -3.82 115.64 118.77 1vln s THR 123 Ca 0.63 1.02 0.06 0.00 0.31 0.00 0.00 61.69 63.71 1vln s THR 123 Cb 0.31 -3.61 -0.02 0.00 0.01 0.00 0.00 72.50 69.20 1vln s THR 123 CO -0.03 0.17 -0.20 0.20 -0.69 0.00 0.00 174.62 174.07 1vln s ASN 124 N -0.91 2.33 0.07 3.53 -0.87 -0.81 -4.98 114.94 113.30 1vln s ASN 124 Ca 0.52 -0.38 -0.06 0.00 -1.57 0.00 0.00 52.86 51.37 1vln s ASN 124 Cb -0.33 -0.25 -0.01 0.00 -0.02 0.00 0.00 41.25 40.63 1vln s ASN 124 CO 0.43 0.23 0.11 0.00 -2.57 0.00 0.00 177.10 175.30 1vln s ALA 125 N -0.51 0.02 -0.00 0.60 0.00 -1.26 -1.67 121.76 118.92 1vln s ALA 125 Ca 0.08 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.26 1vln s ALA 125 Cb -0.08 0.38 0.01 0.00 0.00 0.00 0.00 23.12 23.43 1vln s ALA 125 CO -0.00 -0.44 0.00 -1.17 0.00 0.00 0.00 175.76 174.15 1vln s LEU 126 N -2.76 1.81 -0.11 0.00 2.96 -0.51 -5.00 118.68 115.06 1vln s LEU 126 Ca 0.04 -0.00 -0.06 0.00 -0.22 0.00 0.00 54.13 53.89 1vln s LEU 126 Cb 0.05 -0.04 0.05 0.00 0.50 0.00 0.00 46.19 46.75 1vln s LEU 126 CO -0.10 -0.02 0.27 -2.28 -1.32 0.00 0.00 176.35 172.90 1vln s HIS 127 N 0.22 -0.36 0.04 5.38 5.65 -1.26 -1.68 115.29 123.27 1vln s HIS 127 Ca -0.02 0.85 0.01 0.00 0.25 0.00 0.00 55.06 56.15 1vln s HIS 127 Cb -0.03 0.09 -0.03 0.00 -1.18 0.00 0.00 32.58 31.43 1vln s HIS 127 CO -0.01 -0.24 -0.06 -0.59 -0.65 0.00 0.00 174.74 173.20 1vln s PHE 128 N 1.13 0.56 -0.17 3.88 -0.12 -0.88 -5.02 117.98 117.37 1vln s PHE 128 Ca -0.08 -0.62 -0.08 0.00 -0.05 0.00 0.00 56.93 56.10 1vln s PHE 128 Cb -0.09 -0.35 0.07 0.00 -0.63 0.00 0.00 43.02 42.01 1vln s PHE 128 CO -0.08 -0.16 0.38 1.41 -0.05 0.00 0.00 175.22 176.73 1vln s MET 129 N -2.09 0.33 -0.22 1.99 1.75 -1.26 -1.68 119.30 118.13 1vln s MET 129 Ca -0.07 0.82 0.02 0.00 -1.25 0.00 0.00 55.69 55.20 1vln s MET 129 Cb -0.06 0.05 0.04 0.00 2.84 0.00 0.00 34.83 37.70 1vln s MET 129 CO -0.02 -0.19 -0.14 -0.06 -0.65 0.00 0.00 175.02 173.96 1vln s PHE 130 N 1.77 2.86 -1.60 4.11 0.08 -0.06 -4.93 117.98 120.21 1vln s PHE 130 Ca -0.07 -1.90 0.15 0.00 0.12 0.00 0.00 56.93 55.23 1vln s PHE 130 Cb -0.10 -1.84 0.25 0.00 -0.57 0.00 0.00 43.02 40.76 1vln s PHE 130 CO -0.12 -0.82 1.14 0.09 -0.10 0.00 0.00 175.22 175.41 1vln n ASN 131 N 4.56 2.69 -3.60 1.36 3.02 -1.26 -1.56 115.26 120.47 1vln n ASN 131 Ca -0.16 -1.79 -0.12 0.00 -0.03 0.00 0.00 54.58 52.48 1vln n ASN 131 Cb 0.46 -0.14 -0.06 0.00 -0.61 0.00 0.00 39.78 39.43 1vln n ASN 131 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1vln s GLN 132 N -1.14 0.67 -0.05 3.52 0.74 -1.26 -4.82 119.66 117.32 1vln s GLN 132 Ca 0.24 0.46 0.07 0.00 0.05 0.00 0.00 55.36 56.17 1vln s GLN 132 Cb 0.14 0.32 -0.01 0.00 1.10 0.00 0.00 33.01 34.56 1vln s GLN 132 CO 0.20 -0.15 -0.25 -0.06 -0.55 0.00 0.00 175.29 174.48 1vln s PHE 133 N -0.40 2.42 0.30 1.67 0.40 -0.39 -5.04 117.98 116.94 1vln s PHE 133 Ca -0.01 -0.63 0.06 0.00 -0.60 0.00 0.00 56.93 55.75 1vln s PHE 133 Cb -0.03 -1.57 -0.02 0.00 0.51 0.00 0.00 43.02 41.91 1vln s PHE 133 CO -0.00 -0.16 0.43 -1.54 0.70 0.00 0.00 175.22 174.66 1vln s SER 134 N -0.30 6.12 0.64 1.36 1.04 -1.26 -3.60 113.70 117.69 1vln s SER 134 Ca 0.01 -0.05 0.41 0.00 0.48 0.00 0.00 55.95 56.79 1vln s SER 134 Cb -0.13 -1.51 2.23 0.00 0.10 0.00 0.00 66.02 66.70 1vln s SER 134 CO 0.02 -0.29 2.32 0.50 0.98 0.00 0.00 173.24 176.77 1vln h LYS 135 N 0.99 0.00 -2.57 4.02 3.64 -1.87 -3.19 116.57 117.58 1vln h LYS 135 Ca -0.48 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.30 1vln h LYS 135 Cb 1.24 0.00 -0.39 0.00 -0.41 0.00 0.00 32.23 32.67 1vln h LYS 135 CO 0.56 0.00 -0.87 0.34 -2.27 0.00 0.00 179.45 177.22 1vln s ASP 136 N -5.41 2.38 -1.06 4.20 2.15 -1.26 -4.84 116.67 112.83 1vln s ASP 136 Ca -0.05 -3.16 -0.14 0.00 0.43 0.00 0.00 52.55 49.63 1vln s ASP 136 Cb 0.13 -0.73 0.19 0.00 -0.30 0.00 0.00 42.92 42.22 1vln s ASP 136 CO 0.45 -0.17 1.18 -1.58 -0.17 0.00 0.00 175.17 174.89 1vln s GLN 137 N -0.20 3.93 0.00 4.34 2.00 -1.21 -4.91 119.66 123.62 1vln s GLN 137 Ca 0.29 -2.53 0.05 0.00 -2.00 0.00 0.00 55.36 51.18 1vln s GLN 137 Cb -0.01 -4.81 0.23 0.00 0.80 0.00 0.00 33.01 29.22 1vln s GLN 137 CO -0.17 -1.57 1.06 1.63 -0.50 0.00 0.00 175.29 175.74 1vln n LYS 138 N 4.90 0.04 -0.46 1.67 5.02 -1.26 -2.61 118.16 125.46 1vln n LYS 138 Ca 0.27 0.31 0.10 0.00 -2.02 0.00 0.00 58.31 56.98 1vln n LYS 138 Cb 0.44 -1.50 0.33 0.00 -0.02 0.00 0.00 35.03 34.28 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 -1.38 4.16 -4.26 4.39 5.68 -1.26 -4.90 116.55 118.99 1vln n ASP 139 Ca 0.02 -2.18 -0.26 0.00 -0.50 0.00 0.00 54.79 51.87 1vln n ASP 139 Cb 0.05 -0.52 -0.14 0.00 -1.14 0.00 0.00 41.12 39.37 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 -1.34 2.18 -0.39 -2.12 1.43 -1.07 -0.65 118.68 116.72 1vln s LEU 140 Ca 0.49 -0.54 -0.11 0.00 -1.03 0.00 0.00 54.13 52.93 1vln s LEU 140 Cb 0.28 -0.98 0.04 0.00 0.03 0.00 0.00 46.19 45.56 1vln s LEU 140 CO 0.29 0.16 0.23 -0.63 0.23 0.00 0.00 176.35 176.63 1vln s ILE 141 N -0.83 4.60 -0.05 -0.59 1.01 0.11 -4.87 121.20 120.58 1vln s ILE 141 Ca 0.08 -0.96 -0.18 0.00 0.00 0.00 0.00 60.65 59.58 1vln s ILE 141 Cb -0.09 -3.63 -0.05 0.00 0.01 0.00 0.00 42.46 38.70 1vln s ILE 141 CO 0.02 -0.32 0.50 -0.76 0.00 0.00 0.00 174.94 174.38 1vln s LEU 142 N 1.54 4.38 0.09 2.97 1.43 -1.26 -1.44 118.68 126.39 1vln s LEU 142 Ca 0.02 0.97 0.08 0.00 -1.03 0.00 0.00 54.13 54.18 1vln s LEU 142 Cb -0.20 -2.74 -0.03 0.00 0.03 0.00 0.00 46.19 43.24 1vln s LEU 142 CO 0.06 0.13 -0.20 -1.10 0.23 0.00 0.00 176.35 175.47 1vln s GLN 143 N -0.14 1.13 6.74 1.70 -0.21 0.85 -4.99 119.66 124.73 1vln s GLN 143 Ca 0.27 -1.12 0.00 0.00 0.02 0.00 0.00 55.36 54.52 1vln s GLN 143 Cb -0.17 -1.36 0.00 0.00 1.00 0.00 0.00 33.01 32.48 1vln s GLN 143 CO 0.13 0.32 0.00 0.41 -2.12 0.00 0.00 175.29 174.03 1vln n GLY 144 N 1.18 2.17 0.53 3.09 0.00 -1.26 -1.28 105.19 109.61 1vln n GLY 144 Ca -0.19 -0.40 0.07 0.00 0.00 0.00 0.00 46.02 45.49 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 5.03 1.55 -4.77 1.61 8.00 0.76 -4.94 116.55 123.79 1vln n ASP 145 Ca 0.00 -1.87 -0.39 0.00 0.71 0.00 0.00 54.79 53.24 1vln n ASP 145 Cb 0.00 -0.16 -0.02 0.00 -0.02 0.00 0.00 41.12 40.92 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 -1.68 3.26 0.02 2.24 0.00 -1.18 -4.16 121.76 120.26 1vln s ALA 146 Ca 0.25 1.05 -0.16 0.00 0.00 0.00 0.00 51.96 53.10 1vln s ALA 146 Cb 0.13 -3.41 0.03 0.00 0.00 0.00 0.00 23.12 19.87 1vln s ALA 146 CO 0.19 -0.55 0.35 0.95 0.00 0.00 0.00 175.76 176.69 1vln s THR 147 N -1.31 0.06 0.49 0.00 -4.23 -0.87 -4.79 115.64 105.00 1vln s THR 147 Ca 0.54 -0.53 0.02 0.00 -1.18 0.00 0.00 61.69 60.54 1vln s THR 147 Cb -0.34 -0.84 -0.02 0.00 1.34 0.00 0.00 72.50 72.64 1vln s THR 147 CO 0.43 -0.29 0.01 0.42 -0.54 0.00 0.00 174.62 174.65 1vln s THR 148 N -2.07 1.32 0.00 3.99 -4.23 -1.26 -1.05 115.64 112.34 1vln s THR 148 Ca -0.08 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.44 1vln s THR 148 Cb -0.02 -2.31 0.00 0.00 1.34 0.00 0.00 72.50 71.51 1vln s THR 148 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1vln n GLY 149 N -1.22 2.41 3.58 3.99 0.00 -0.82 -4.52 105.19 108.60 1vln n GLY 149 Ca -0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 1vln n GLY 149 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1vln s THR 150 N -3.12 3.69 -0.13 2.61 -4.23 -1.15 -2.72 115.64 110.59 1vln s THR 150 Ca 0.00 -1.07 0.00 0.00 -1.18 0.00 0.00 61.69 59.44 1vln s THR 150 Cb 0.00 -4.67 0.00 0.00 1.34 0.00 0.00 72.50 69.17 1vln s THR 150 CO 0.00 -1.30 0.00 -0.67 -0.54 0.00 0.00 174.62 172.11 1vln n ASP 151 N 12.51 -3.00 0.00 3.99 2.03 -1.26 -2.41 116.55 128.41 1vln n ASP 151 Ca 0.44 0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.78 1vln n ASP 151 Cb 0.47 -0.76 0.00 0.00 -0.72 0.00 0.00 41.12 40.11 1vln n ASP 151 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1vln n GLY 152 N -2.70 0.48 3.79 0.27 0.00 -1.10 -5.01 105.19 100.92 1vln n GLY 152 Ca -0.01 -0.30 -0.24 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.27 4.61 -0.22 1.61 0.01 -1.01 -1.26 114.94 116.40 1vln s ASN 153 Ca 0.00 -1.01 -0.04 0.00 -0.71 0.00 0.00 52.86 51.10 1vln s ASN 153 Cb 0.00 -0.42 -0.01 0.00 0.41 0.00 0.00 41.25 41.23 1vln s ASN 153 CO 0.00 -0.62 -0.05 -0.22 -1.51 0.00 0.00 177.10 174.70 1vln s LEU 154 N -4.00 2.88 -0.41 0.60 2.96 -0.84 -1.95 118.68 117.93 1vln s LEU 154 Ca 0.42 -0.39 -0.11 0.00 -0.22 0.00 0.00 54.13 53.82 1vln s LEU 154 Cb 0.01 -1.73 0.05 0.00 0.50 0.00 0.00 46.19 45.03 1vln s LEU 154 CO 0.24 -0.01 0.27 -1.61 -1.32 0.00 0.00 176.35 173.91 1vln s GLU 155 N 1.42 2.78 0.27 1.98 0.41 -0.21 0.03 118.70 125.38 1vln s GLU 155 Ca 0.05 -1.26 0.03 0.00 -0.41 0.00 0.00 54.97 53.38 1vln s GLU 155 Cb -0.14 -3.84 0.39 0.00 -1.78 0.00 0.00 34.13 28.75 1vln s GLU 155 CO -0.03 -0.85 1.69 -0.07 -0.49 0.00 0.00 175.26 175.51 1vln h LEU 156 N 8.50 0.45 -9.07 1.80 3.38 -1.39 -2.30 115.31 116.67 1vln h LEU 156 Ca -0.25 -0.17 -0.56 0.00 0.09 0.00 0.00 57.88 56.99 1vln h LEU 156 Cb 1.10 -0.12 -0.15 0.00 0.09 0.00 0.00 40.66 41.58 1vln h LEU 156 CO 0.74 0.75 -0.76 0.42 0.09 0.00 0.00 178.44 179.68 1vln s THR 157 N -4.37 2.20 0.27 0.22 -4.23 -1.26 -2.84 115.64 105.63 1vln s THR 157 Ca -0.06 -2.28 -0.30 0.00 -1.18 0.00 0.00 61.69 57.86 1vln s THR 157 Cb 0.13 -2.17 -0.11 0.00 1.34 0.00 0.00 72.50 71.69 1vln s THR 157 CO 0.79 -0.43 1.59 -0.60 -0.54 0.00 0.00 174.62 175.44 1vln s ARG 158 N -3.42 4.14 0.06 3.99 3.52 -1.26 -4.78 118.95 121.21 1vln s ARG 158 Ca 0.26 2.54 0.05 0.00 -0.13 0.00 0.00 55.73 58.45 1vln s ARG 158 Cb -0.04 -3.05 -0.03 0.00 -1.56 0.00 0.00 34.95 30.28 1vln s ARG 158 CO 0.11 -0.62 -0.14 0.08 -0.81 0.00 0.00 175.30 173.92 1vln s VAL 159 N 0.23 1.14 0.69 7.11 1.01 -1.26 -1.19 120.40 128.14 1vln s VAL 159 Ca 0.65 -1.18 -0.07 0.00 0.00 0.00 0.00 61.98 61.38 1vln s VAL 159 Cb -0.47 -1.07 0.06 0.00 0.00 0.00 0.00 36.38 34.90 1vln s VAL 159 CO 0.44 -0.11 1.01 -0.94 0.00 0.00 0.00 175.10 175.49 1vln s SER 160 N -1.47 4.90 0.57 3.32 1.04 0.11 -4.92 113.70 117.25 1vln s SER 160 Ca 0.00 0.49 0.29 0.00 0.48 0.00 0.00 55.95 57.21 1vln s SER 160 Cb -0.09 -1.18 1.74 0.00 0.10 0.00 0.00 66.02 66.59 1vln s SER 160 CO 0.02 -1.54 2.22 0.77 0.98 0.00 0.00 173.24 175.68 1vln h SER 161 N -0.56 0.00 -0.39 7.02 4.64 -2.01 0.12 113.55 122.36 1vln h SER 161 Ca -0.44 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.85 1vln h SER 161 Cb 1.31 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.38 1vln h SER 161 CO 0.60 0.03 0.17 0.78 -0.87 0.00 0.00 176.83 177.54 1vln h ASN 162 N 0.00 0.58 0.00 4.97 4.21 -2.04 -3.46 115.58 119.84 1vln h ASN 162 Ca -0.00 -0.07 0.00 0.00 1.21 0.00 0.00 56.30 57.44 1vln h ASN 162 Cb 0.07 -0.15 0.00 0.00 -1.12 0.00 0.00 38.32 37.13 1vln h ASN 162 CO 0.00 0.53 0.00 0.61 -1.29 0.00 0.00 177.43 177.29 1vln n GLY 163 N -1.13 1.14 3.85 2.83 0.00 0.40 -5.11 105.19 107.18 1vln n GLY 163 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 1vln n GLY 163 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vln s SER 164 N -1.71 6.52 0.84 1.61 1.04 -1.25 -4.78 113.70 115.97 1vln s SER 164 Ca 0.00 0.62 -0.11 0.00 0.48 0.00 0.00 55.95 56.95 1vln s SER 164 Cb 0.00 -2.13 0.10 0.00 0.10 0.00 0.00 66.02 64.09 1vln s SER 164 CO 0.00 0.36 1.13 -2.16 0.98 0.00 0.00 173.24 173.55 1vln s PRO 165 N -0.92 1.61 0.12 4.02 0.04 -1.26 0.06 135.00 138.66 1vln s PRO 165 Ca 0.18 1.41 0.09 0.00 0.04 0.00 0.00 61.00 62.72 1vln s PRO 165 Cb -0.14 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 1vln s PRO 165 CO 0.07 -2.17 -0.20 -0.65 0.04 0.00 0.00 177.00 174.09 1vln s GLN 166 N -4.69 1.72 0.65 4.56 -1.52 -0.33 -4.77 119.66 115.27 1vln s GLN 166 Ca 0.65 -1.21 -0.03 0.00 -1.95 0.00 0.00 55.36 52.82 1vln s GLN 166 Cb -0.21 -2.07 0.06 0.00 -0.22 0.00 0.00 33.01 30.57 1vln s GLN 166 CO 0.56 0.48 0.92 0.20 -0.25 0.00 0.00 175.29 177.20 1vln s GLY 167 N -2.10 1.76 -1.44 3.09 0.00 -1.26 -4.42 107.32 102.94 1vln s GLY 167 Ca 0.17 -1.18 -0.05 0.00 0.00 0.00 0.00 44.72 43.66 1vln s GLY 167 CO 0.09 -0.80 0.66 1.44 0.00 0.00 0.00 173.10 174.49 1vln n SER 168 N -2.70 -1.84 -4.38 1.64 7.64 -0.69 -4.89 113.62 108.40 1vln n SER 168 Ca 0.09 -0.91 -0.30 0.00 1.01 0.00 0.00 58.87 58.76 1vln n SER 168 Cb 0.60 -3.48 -0.14 0.00 -1.01 0.00 0.00 64.21 60.18 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 -4.02 3.39 -0.04 6.43 0.15 -1.21 -4.96 113.70 113.43 1vln s SER 169 Ca 0.23 -0.52 -0.04 0.00 0.70 0.00 0.00 55.95 56.32 1vln s SER 169 Cb -0.12 -0.41 0.01 0.00 -1.71 0.00 0.00 66.02 63.80 1vln s SER 169 CO 0.86 0.26 0.12 0.68 1.20 0.00 0.00 173.24 176.36 1vln s VAL 170 N -0.83 -0.00 -0.25 4.45 -7.23 -1.26 -1.23 120.40 114.04 1vln s VAL 170 Ca 0.13 0.02 -0.21 0.00 -1.81 0.00 0.00 61.98 60.10 1vln s VAL 170 Cb -0.10 -0.17 0.07 0.00 0.56 0.00 0.00 36.38 36.73 1vln s VAL 170 CO 0.03 0.01 0.66 -0.83 -0.31 0.00 0.00 175.10 174.66 1vln s GLY 171 N 0.16 -0.52 0.18 2.32 0.00 -1.03 -0.17 107.32 108.26 1vln s GLY 171 Ca -0.01 1.97 0.05 0.00 0.00 0.00 0.00 44.72 46.74 1vln s GLY 171 CO -0.00 1.78 -0.10 0.50 0.00 0.00 0.00 173.10 175.27 1vln s ARG 172 N 0.65 1.20 -0.02 2.90 0.52 -0.41 -2.31 118.95 121.49 1vln s ARG 172 Ca -0.02 -1.54 -0.00 0.00 -0.52 0.00 0.00 55.73 53.65 1vln s ARG 172 Cb -0.05 -0.80 0.02 0.00 0.52 0.00 0.00 34.95 34.64 1vln s ARG 172 CO -0.04 0.09 0.04 0.00 0.02 0.00 0.00 175.30 175.40 1vln s ALA 173 N -3.21 0.00 -0.00 2.13 0.00 -0.11 -0.11 121.76 120.46 1vln s ALA 173 Ca 0.20 0.24 0.04 0.00 0.00 0.00 0.00 51.96 52.45 1vln s ALA 173 Cb 0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 1vln s ALA 173 CO 0.04 -0.08 -0.13 -0.51 0.00 0.00 0.00 175.76 175.08 1vln s LEU 174 N 0.69 2.05 0.38 0.00 1.02 -0.52 -0.27 118.68 122.02 1vln s LEU 174 Ca -0.06 -0.28 -0.27 0.00 0.02 0.00 0.00 54.13 53.54 1vln s LEU 174 Cb -0.08 -0.67 -0.09 0.00 0.02 0.00 0.00 46.19 45.36 1vln s LEU 174 CO -0.02 0.14 1.33 0.12 0.02 0.00 0.00 176.35 177.94 1vln s PHE 175 N -0.40 2.87 0.26 0.29 5.36 -1.01 0.04 117.98 125.39 1vln s PHE 175 Ca 0.05 1.38 -0.05 0.00 -0.96 0.00 0.00 56.93 57.35 1vln s PHE 175 Cb -0.06 -3.71 0.29 0.00 -0.34 0.00 0.00 43.02 39.20 1vln s PHE 175 CO -0.00 -2.12 1.93 -0.92 -1.46 0.00 0.00 175.22 172.65 1vln h TYR 176 N 2.95 1.21 -3.25 10.12 3.20 -1.22 -3.44 116.97 126.54 1vln h TYR 176 Ca -0.50 0.02 -0.57 0.00 3.14 0.00 0.00 58.73 60.82 1vln h TYR 176 Cb 1.24 -0.41 -0.04 0.00 1.54 0.00 0.00 36.73 39.06 1vln h TYR 176 CO 0.54 0.78 -0.09 0.00 -1.64 0.00 0.00 178.16 177.75 1vln s ALA 177 N -6.03 3.60 0.47 1.82 0.00 -1.26 -5.03 121.76 115.33 1vln s ALA 177 Ca -0.13 -0.10 -0.23 0.00 0.00 0.00 0.00 51.96 51.50 1vln s ALA 177 Cb 0.18 -2.53 -0.07 0.00 0.00 0.00 0.00 23.12 20.70 1vln s ALA 177 CO 0.82 0.45 1.22 -2.14 0.00 0.00 0.00 175.76 176.10 1vln s PRO 178 N -1.59 3.68 -0.11 0.00 0.02 -1.26 -4.85 135.00 130.89 1vln s PRO 178 Ca 0.33 1.91 -0.00 0.00 0.02 0.00 0.00 61.00 63.26 1vln s PRO 178 Cb -0.17 -2.43 -0.02 0.00 0.02 0.00 0.00 34.50 31.90 1vln s PRO 178 CO 0.18 -0.66 -0.10 0.08 -0.33 0.00 0.00 177.00 176.18 1vln s VAL 179 N -1.46 3.36 -0.72 3.83 1.01 0.38 -4.95 120.40 121.85 1vln s VAL 179 Ca 0.64 -0.57 -0.21 0.00 0.00 0.00 0.00 61.98 61.84 1vln s VAL 179 Cb -0.32 -2.41 0.09 0.00 0.00 0.00 0.00 36.38 33.74 1vln s VAL 179 CO 0.39 0.54 0.98 -2.28 0.00 0.00 0.00 175.10 174.73 1vln s HIS 180 N -0.01 2.81 -0.03 5.22 2.46 -1.26 -1.08 115.29 123.41 1vln s HIS 180 Ca -0.02 -0.81 -0.21 0.00 0.47 0.00 0.00 55.06 54.49 1vln s HIS 180 Cb -0.14 -4.27 -0.28 0.00 -0.13 0.00 0.00 32.58 27.77 1vln s HIS 180 CO 0.04 -1.58 0.99 0.97 -2.47 0.00 0.00 174.74 172.69 1vln h ILE 181 N 5.95 1.48 -4.29 0.89 6.09 -1.61 -3.47 117.51 122.55 1vln h ILE 181 Ca -0.17 -2.31 -0.40 0.00 -1.37 0.00 0.00 64.86 60.60 1vln h ILE 181 Cb 1.06 2.92 -0.14 0.00 0.47 0.00 0.00 36.82 41.13 1vln h ILE 181 CO 1.16 0.66 -0.55 -1.66 -3.07 0.00 0.00 178.15 174.69 1vln s TRP 182 N -2.80 1.57 -0.16 2.19 1.48 -1.24 -4.78 118.94 115.20 1vln s TRP 182 Ca -0.14 -1.45 -0.30 0.00 -1.06 0.00 0.00 56.10 53.15 1vln s TRP 182 Cb 0.02 -0.77 0.13 0.00 -1.16 0.00 0.00 33.47 31.69 1vln s TRP 182 CO 0.82 -0.64 1.05 -2.00 -4.06 0.00 0.00 176.95 172.13 1vln s GLU 183 N -3.77 0.52 0.14 3.25 2.12 -1.26 -4.85 118.70 114.85 1vln s GLU 183 Ca 0.37 0.03 -0.12 0.00 0.36 0.00 0.00 54.97 55.62 1vln s GLU 183 Cb 0.04 0.25 -0.02 0.00 0.26 0.00 0.00 34.13 34.66 1vln s GLU 183 CO 0.19 -0.18 1.52 0.66 -0.54 0.00 0.00 175.26 176.91 1vln h SER 184 N 2.34 0.92 0.08 -1.70 4.64 -2.03 -3.17 113.55 114.64 1vln h SER 184 Ca -0.16 -0.40 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 1vln h SER 184 Cb 1.18 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1vln h SER 184 CO 0.29 1.12 -0.00 -1.20 -0.87 0.00 0.00 176.83 176.17 1vln n SER 185 N -4.19 0.03 -4.72 4.97 7.64 -1.26 -4.86 113.62 111.23 1vln n SER 185 Ca -0.01 -0.89 -0.41 0.00 1.01 0.00 0.00 58.87 58.58 1vln n SER 185 Cb 0.44 -0.04 -0.04 0.00 -1.01 0.00 0.00 64.21 63.56 1vln n SER 185 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vln s ALA 186 N -2.08 3.27 -0.05 -0.43 0.00 -1.20 -1.68 121.76 119.59 1vln s ALA 186 Ca 0.45 0.29 0.13 0.00 0.00 0.00 0.00 51.96 52.83 1vln s ALA 186 Cb 0.22 -3.09 -0.16 0.00 0.00 0.00 0.00 23.12 20.08 1vln s ALA 186 CO 0.38 -0.14 0.93 0.28 0.00 0.00 0.00 175.76 177.21 1vln h VAL 187 N 4.74 0.91 -2.35 0.00 2.07 -0.76 -3.46 116.25 117.40 1vln h VAL 187 Ca -0.41 -2.56 -0.04 0.00 0.82 0.00 0.00 66.70 64.51 1vln h VAL 187 Cb 1.21 2.38 -0.25 0.00 -1.52 0.00 0.00 31.29 33.11 1vln h VAL 187 CO 0.75 0.52 -0.27 -0.69 0.02 0.00 0.00 177.57 177.90 1vln s VAL 188 N -2.76 -0.64 0.09 2.57 1.01 -1.22 -4.86 120.40 114.58 1vln s VAL 188 Ca -0.02 0.10 0.09 0.00 0.00 0.00 0.00 61.98 62.15 1vln s VAL 188 Cb 0.09 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 1vln s VAL 188 CO 0.81 0.04 -0.24 0.00 0.00 0.00 0.00 175.10 175.72 1vln s ALA 189 N 2.50 2.05 0.12 5.51 0.00 -1.26 -0.72 121.76 129.96 1vln s ALA 189 Ca -0.04 -1.28 -0.24 0.00 0.00 0.00 0.00 51.96 50.39 1vln s ALA 189 Cb -0.11 -0.35 0.08 0.00 0.00 0.00 0.00 23.12 22.74 1vln s ALA 189 CO -0.15 0.45 0.68 -1.54 0.00 0.00 0.00 175.76 175.21 1vln s SER 190 N -1.69 -0.50 0.11 0.00 1.04 -0.94 -0.94 113.70 110.77 1vln s SER 190 Ca 0.10 -0.02 -0.13 0.00 0.48 0.00 0.00 55.95 56.37 1vln s SER 190 Cb -0.10 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.59 1vln s SER 190 CO 0.04 -0.89 0.33 0.72 0.98 0.00 0.00 173.24 174.42 1vln s PHE 191 N -3.58 -0.07 -0.12 5.02 -0.12 -0.65 -2.01 117.98 116.44 1vln s PHE 191 Ca 0.02 -0.29 -0.09 0.00 -0.05 0.00 0.00 56.93 56.53 1vln s PHE 191 Cb -0.01 0.15 0.04 0.00 -0.63 0.00 0.00 43.02 42.56 1vln s PHE 191 CO -0.11 -0.65 0.31 -2.00 -0.05 0.00 0.00 175.22 172.72 1vln s GLU 192 N -3.83 0.32 0.07 1.99 2.12 -0.48 -2.09 118.70 116.81 1vln s GLU 192 Ca 0.04 0.52 0.06 0.00 0.36 0.00 0.00 54.97 55.94 1vln s GLU 192 Cb 0.03 0.06 -0.03 0.00 0.26 0.00 0.00 34.13 34.45 1vln s GLU 192 CO -0.11 -0.10 -0.15 0.00 -0.54 0.00 0.00 175.26 174.36 1vln s ALA 193 N 0.68 1.28 -0.15 6.30 0.00 -0.38 -1.72 121.76 127.77 1vln s ALA 193 Ca -0.04 -1.01 -0.09 0.00 0.00 0.00 0.00 51.96 50.81 1vln s ALA 193 Cb -0.05 -0.13 0.05 0.00 0.00 0.00 0.00 23.12 22.98 1vln s ALA 193 CO -0.04 0.21 0.36 0.99 0.00 0.00 0.00 175.76 177.27 1vln s THR 194 N -1.19 -0.02 -0.02 0.00 2.01 -0.69 -1.27 115.64 114.46 1vln s THR 194 Ca -0.00 0.08 -0.12 0.00 0.31 0.00 0.00 61.69 61.96 1vln s THR 194 Cb -0.10 -0.53 0.02 0.00 0.01 0.00 0.00 72.50 71.90 1vln s THR 194 CO 0.02 0.03 0.25 0.72 -0.69 0.00 0.00 174.62 174.96 1vln s PHE 195 N 1.07 -0.13 -0.04 4.92 -0.71 -0.70 -0.78 117.98 121.61 1vln s PHE 195 Ca -0.07 0.21 0.02 0.00 -1.04 0.00 0.00 56.93 56.05 1vln s PHE 195 Cb -0.07 0.05 -0.03 0.00 -1.21 0.00 0.00 43.02 41.76 1vln s PHE 195 CO -0.08 -0.33 -0.08 0.95 -1.34 0.00 0.00 175.22 174.34 1vln s THR 196 N -1.14 3.58 0.16 -4.49 -4.23 -0.95 -0.88 115.64 107.69 1vln s THR 196 Ca -0.12 -0.63 -0.01 0.00 -1.18 0.00 0.00 61.69 59.75 1vln s THR 196 Cb -0.06 -2.49 -0.04 0.00 1.34 0.00 0.00 72.50 71.25 1vln s THR 196 CO 0.03 0.52 0.07 0.72 -0.54 0.00 0.00 174.62 175.42 1vln s PHE 197 N -0.87 1.00 -0.26 3.99 -0.71 -0.72 -1.27 117.98 119.14 1vln s PHE 197 Ca 0.14 -1.26 -0.04 0.00 -1.04 0.00 0.00 56.93 54.73 1vln s PHE 197 Cb -0.11 -0.54 0.09 0.00 -1.21 0.00 0.00 43.02 41.25 1vln s PHE 197 CO 0.04 -0.52 0.12 -1.17 -1.34 0.00 0.00 175.22 172.34 1vln s LEU 198 N -3.10 0.51 -0.26 -1.99 2.96 -0.68 -1.28 118.68 114.85 1vln s LEU 198 Ca 0.29 -1.13 -0.11 0.00 -0.22 0.00 0.00 54.13 52.97 1vln s LEU 198 Cb 0.07 -0.33 -0.05 0.00 0.50 0.00 0.00 46.19 46.38 1vln s LEU 198 CO 0.05 -0.42 0.17 -0.63 -1.32 0.00 0.00 176.35 174.21 1vln s ILE 199 N 2.10 5.28 -0.03 6.68 1.01 -1.26 -3.34 121.20 131.65 1vln s ILE 199 Ca 0.07 0.16 0.02 0.00 0.00 0.00 0.00 60.65 60.89 1vln s ILE 199 Cb -0.16 -3.49 0.01 0.00 0.01 0.00 0.00 42.46 38.83 1vln s ILE 199 CO -0.30 0.29 -0.06 -0.75 0.00 0.00 0.00 174.94 174.12 1vln s LYS 200 N 1.46 0.79 -0.02 2.79 2.20 -1.25 -1.39 119.74 124.33 1vln s LYS 200 Ca 0.07 -0.18 0.01 0.00 -0.36 0.00 0.00 55.97 55.51 1vln s LYS 200 Cb -0.15 -0.77 0.01 0.00 -1.51 0.00 0.00 37.83 35.41 1vln s LYS 200 CO 0.08 0.02 -0.02 0.45 -0.36 0.00 0.00 175.35 175.51 1vln s SER 201 N 0.49 0.44 0.19 1.43 0.15 -1.26 -0.99 113.70 114.15 1vln s SER 201 Ca -0.07 -0.05 0.24 0.00 0.70 0.00 0.00 55.95 56.77 1vln s SER 201 Cb -0.10 -0.14 0.25 0.00 -1.71 0.00 0.00 66.02 64.31 1vln s SER 201 CO 0.00 -0.02 1.28 1.55 1.20 0.00 0.00 173.24 177.25 1vln h PRO 202 N 6.61 0.00 -6.77 5.44 0.13 -1.96 -3.48 132.00 131.96 1vln h PRO 202 Ca -0.34 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.35 1vln h PRO 202 Cb 1.17 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.34 1vln h PRO 202 CO 0.49 0.00 -0.07 0.16 -0.23 0.00 0.00 178.00 178.35 1vln s ASP 203 N -4.85 5.24 0.39 1.44 1.47 -1.26 -5.00 116.67 114.10 1vln s ASP 203 Ca 0.04 -0.19 0.21 0.00 1.18 0.00 0.00 52.55 53.79 1vln s ASP 203 Cb 0.11 -0.66 1.20 0.00 -0.34 0.00 0.00 42.92 43.23 1vln s ASP 203 CO 0.73 -1.16 1.69 0.77 0.68 0.00 0.00 175.17 177.89 1vln h SER 204 N 0.13 0.41 -3.42 2.11 4.64 -1.97 -3.40 113.55 112.05 1vln h SER 204 Ca -0.40 0.13 -0.17 0.00 -0.47 0.00 0.00 61.79 60.88 1vln h SER 204 Cb 1.29 0.09 -0.28 0.00 -0.31 0.00 0.00 62.40 63.18 1vln h SER 204 CO 0.49 -0.07 -0.44 -1.00 -0.87 0.00 0.00 176.83 174.94 1vln s HIS 205 N -5.49 -0.37 0.68 4.77 3.76 -1.26 -5.16 115.29 112.22 1vln s HIS 205 Ca -0.09 0.86 -0.11 0.00 -0.15 0.00 0.00 55.06 55.58 1vln s HIS 205 Cb 0.28 0.10 -0.00 0.00 1.11 0.00 0.00 32.58 34.07 1vln s HIS 205 CO 0.80 -0.24 1.06 -2.14 -0.85 0.00 0.00 174.74 173.38 1vln s PRO 206 N 1.07 3.09 -0.16 8.40 0.02 -1.26 -4.27 135.00 141.89 1vln s PRO 206 Ca -0.08 0.74 -0.29 0.00 0.02 0.00 0.00 61.00 61.40 1vln s PRO 206 Cb -0.08 -2.02 0.10 0.00 0.02 0.00 0.00 34.50 32.51 1vln s PRO 206 CO -0.08 -0.93 0.87 0.00 -0.33 0.00 0.00 177.00 176.53 1vln s ALA 207 N -3.17 -1.87 -0.00 -1.55 0.00 -1.24 -4.12 121.76 109.81 1vln s ALA 207 Ca 0.57 1.61 0.01 0.00 0.00 0.00 0.00 51.96 54.15 1vln s ALA 207 Cb -0.12 -0.68 -0.01 0.00 0.00 0.00 0.00 23.12 22.30 1vln s ALA 207 CO 0.54 -0.32 0.02 -0.25 0.00 0.00 0.00 175.76 175.75 1vln n ASP 208 N 1.32 4.81 0.00 0.00 8.00 -0.39 -3.20 116.55 127.09 1vln n ASP 208 Ca -0.14 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.36 1vln n ASP 208 Cb 0.57 0.96 0.00 0.00 -0.02 0.00 0.00 41.12 42.63 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 2.52 1.96 3.38 0.44 0.00 -1.25 -2.50 105.19 109.75 1vln n GLY 209 Ca -0.00 -1.61 -0.21 0.00 0.00 0.00 0.00 46.02 44.20 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 -1.75 1.98 -0.22 -0.61 1.01 -0.70 -2.49 121.20 118.42 1vln s ILE 210 Ca 0.00 -2.22 -0.18 0.00 0.00 0.00 0.00 60.65 58.25 1vln s ILE 210 Cb 0.00 -2.09 0.06 0.00 0.01 0.00 0.00 42.46 40.44 1vln s ILE 210 CO 0.00 -0.49 0.57 0.00 0.00 0.00 0.00 174.94 175.02 1vln s ALA 211 N -2.67 -1.44 -0.08 9.38 0.00 0.86 -0.32 121.76 127.49 1vln s ALA 211 Ca 0.24 1.74 -0.16 0.00 0.00 0.00 0.00 51.96 53.78 1vln s ALA 211 Cb -0.03 -1.02 -0.05 0.00 0.00 0.00 0.00 23.12 22.02 1vln s ALA 211 CO 0.09 -0.29 0.42 0.12 0.00 0.00 0.00 175.76 176.10 1vln s PHE 212 N 0.69 3.58 0.06 0.00 5.36 -0.78 -0.98 117.98 125.91 1vln s PHE 212 Ca -0.03 0.87 -0.03 0.00 -0.96 0.00 0.00 56.93 56.78 1vln s PHE 212 Cb -0.05 -2.42 -0.03 0.00 -0.34 0.00 0.00 43.02 40.18 1vln s PHE 212 CO -0.05 0.35 0.03 -0.59 -1.46 0.00 0.00 175.22 173.50 1vln s PHE 213 N -0.01 0.41 -0.12 10.12 -0.12 -0.84 -1.54 117.98 125.89 1vln s PHE 213 Ca 0.23 -0.92 0.02 0.00 -0.05 0.00 0.00 56.93 56.21 1vln s PHE 213 Cb -0.15 -0.30 0.01 0.00 -0.63 0.00 0.00 43.02 41.95 1vln s PHE 213 CO 0.10 -0.41 -0.17 0.42 -0.05 0.00 0.00 175.22 175.11 1vln s ILE 214 N -3.78 1.64 0.35 -4.49 1.01 -0.01 -1.33 121.20 114.59 1vln s ILE 214 Ca 0.05 -0.72 0.05 0.00 0.00 0.00 0.00 60.65 60.03 1vln s ILE 214 Cb 0.06 -1.49 -0.03 0.00 0.01 0.00 0.00 42.46 41.02 1vln s ILE 214 CO -0.10 0.47 0.19 -0.94 0.00 0.00 0.00 174.94 174.56 1vln s SER 215 N 0.98 2.01 0.31 3.58 1.04 -0.07 -1.83 113.70 119.71 1vln s SER 215 Ca -0.06 -1.66 -0.29 0.00 0.48 0.00 0.00 55.95 54.42 1vln s SER 215 Cb -0.15 0.49 -0.10 0.00 0.10 0.00 0.00 66.02 66.36 1vln s SER 215 CO -0.02 -0.96 1.25 0.54 0.98 0.00 0.00 173.24 175.03 1vln s ASN 216 N -3.45 6.91 0.20 7.02 4.22 -1.21 -0.98 114.94 127.64 1vln s ASN 216 Ca 0.33 2.56 -0.00 0.00 -2.14 0.00 0.00 52.86 53.61 1vln s ASN 216 Cb 0.03 -2.64 0.45 0.00 1.28 0.00 0.00 41.25 40.37 1vln s ASN 216 CO 0.20 -0.43 1.01 -0.38 -2.04 0.00 0.00 177.10 175.45 1vln n ILE 217 N 1.05 -0.27 -0.50 0.54 2.08 -1.26 -1.26 119.36 119.73 1vln n ILE 217 Ca 0.00 1.43 -0.15 0.00 0.56 0.00 0.00 62.75 64.59 1vln n ILE 217 Cb 0.43 -2.06 0.13 0.00 -0.75 0.00 0.00 39.64 37.39 1vln n ILE 217 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 1vln n ASP 218 N -4.89 3.56 -4.76 4.38 5.75 -1.26 -4.82 116.55 114.51 1vln n ASP 218 Ca 0.14 -3.06 -0.38 0.00 -0.01 0.00 0.00 54.79 51.48 1vln n ASP 218 Cb 0.46 -0.72 0.02 0.00 -1.03 0.00 0.00 41.12 39.84 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 -0.56 5.68 0.10 -1.12 0.15 -0.39 -5.05 113.70 112.50 1vln s SER 219 Ca 0.39 2.58 -0.04 0.00 0.70 0.00 0.00 55.95 59.57 1vln s SER 219 Cb 0.32 -2.62 -0.03 0.00 -1.71 0.00 0.00 66.02 61.99 1vln s SER 219 CO 0.08 -1.28 0.10 -0.44 1.20 0.00 0.00 173.24 172.90 1vln s SER 220 N -1.10 0.28 -0.06 5.45 0.01 -1.26 -5.09 113.70 111.93 1vln s SER 220 Ca 0.68 -0.95 -0.30 0.00 1.31 0.00 0.00 55.95 56.69 1vln s SER 220 Cb -0.36 0.30 -0.04 0.00 0.21 0.00 0.00 66.02 66.14 1vln s SER 220 CO 0.43 -0.72 1.28 -0.63 0.41 0.00 0.00 173.24 174.01 1vln s ILE 221 N -3.95 4.10 0.47 1.44 1.01 -1.26 -4.99 121.20 118.02 1vln s ILE 221 Ca 0.13 1.43 -0.23 0.00 0.00 0.00 0.00 60.65 61.97 1vln s ILE 221 Cb 0.06 -3.92 -0.07 0.00 0.01 0.00 0.00 42.46 38.55 1vln s ILE 221 CO -0.05 -0.03 1.26 -2.84 0.00 0.00 0.00 174.94 173.28 1vln s PRO 222 N 2.55 3.63 0.30 2.79 0.02 -1.26 -4.93 135.00 138.10 1vln s PRO 222 Ca 0.58 2.02 -0.29 0.00 0.02 0.00 0.00 61.00 63.32 1vln s PRO 222 Cb -0.26 -2.46 -0.11 0.00 0.02 0.00 0.00 34.50 31.69 1vln s PRO 222 CO 0.22 -0.73 1.51 -1.12 -0.33 0.00 0.00 177.00 176.55 1vln s SER 223 N -1.06 6.47 -0.15 2.53 0.01 -1.26 -2.49 113.70 117.74 1vln s SER 223 Ca 0.64 2.87 0.00 0.00 1.31 0.00 0.00 55.95 60.77 1vln s SER 223 Cb -0.35 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.24 1vln s SER 223 CO 0.43 -0.82 0.00 0.61 0.41 0.00 0.00 173.24 173.87 1vln n GLY 224 N 1.74 0.43 1.34 3.44 0.00 -1.26 -4.92 105.19 105.95 1vln n GLY 224 Ca 0.06 -0.12 -0.03 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.22 4.20 -4.19 1.61 3.41 -1.04 -4.86 113.62 112.53 1vln n SER 225 Ca -0.01 -2.35 -0.28 0.00 -0.26 0.00 0.00 58.87 55.97 1vln n SER 225 Cb 0.21 -0.79 0.18 0.00 -0.26 0.00 0.00 64.21 63.55 1vln n SER 225 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1vln s THR 226 N -0.43 2.01 0.00 6.66 -4.23 -1.26 -0.99 115.64 117.39 1vln s THR 226 Ca 0.07 -0.20 0.00 0.00 -1.18 0.00 0.00 61.69 60.37 1vln s THR 226 Cb 0.05 -2.80 0.00 0.00 1.34 0.00 0.00 72.50 71.09 1vln s THR 226 CO 0.01 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 1vln n GLY 227 N -3.54 2.73 0.00 3.99 0.00 -0.18 -3.20 105.19 105.00 1vln n GLY 227 Ca 0.17 -0.33 0.04 0.00 0.00 0.00 0.00 46.02 45.90 1vln n GLY 227 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1vln n ARG 228 N 13.58 0.08 -0.05 1.61 1.85 -1.26 -2.72 116.66 129.75 1vln n ARG 228 Ca 0.00 0.25 0.12 0.00 -1.00 0.00 0.00 57.85 57.22 1vln n ARG 228 Cb 0.00 -1.50 0.39 0.00 -1.05 0.00 0.00 32.46 30.30 1vln n ARG 228 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1vln n LEU 229 N -1.35 1.92 -1.54 2.89 4.77 -1.19 -4.96 117.00 117.53 1vln n LEU 229 Ca 0.03 -0.73 -0.06 0.00 -0.03 0.00 0.00 56.01 55.22 1vln n LEU 229 Cb 0.08 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.08 1vln n LEU 229 CO 0.07 0.37 -0.07 0.18 -1.33 0.00 0.00 177.39 176.61 1vln n LEU 230 N 0.49 -0.50 -0.61 2.23 4.77 -1.10 -1.01 117.00 121.27 1vln n LEU 230 Ca 0.17 0.21 -0.08 0.00 -0.03 0.00 0.00 56.01 56.28 1vln n LEU 230 Cb 0.40 -1.33 -0.03 0.00 -2.33 0.00 0.00 43.42 40.13 1vln n LEU 230 CO 0.15 -0.26 -0.08 0.61 -1.33 0.00 0.00 177.39 176.48 1vln n GLY 231 N -0.27 0.95 0.02 -0.72 0.00 -0.16 -4.18 105.19 100.84 1vln n GLY 231 Ca -0.07 -0.37 -0.03 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.90 1.26 -4.39 0.99 4.77 -0.18 -4.56 117.00 114.00 1vln n LEU 232 Ca -0.08 -0.01 -0.27 0.00 -0.03 0.00 0.00 56.01 55.62 1vln n LEU 232 Cb 0.34 -0.02 -0.12 0.00 -2.33 0.00 0.00 43.42 41.28 1vln n LEU 232 CO 0.12 0.31 -0.54 -0.36 -1.33 0.00 0.00 177.39 175.59 1vln s PHE 233 N -2.10 2.20 0.04 -1.77 0.08 -1.12 -4.84 117.98 110.46 1vln s PHE 233 Ca -0.04 -0.38 -0.10 0.00 0.12 0.00 0.00 56.93 56.53 1vln s PHE 233 Cb 0.02 -1.14 -0.32 0.00 -0.57 0.00 0.00 43.02 41.01 1vln s PHE 233 CO 0.15 0.40 1.02 -1.00 -0.10 0.00 0.00 175.22 175.69 1vln h PRO 234 N 3.53 0.40 -4.95 0.24 0.13 -1.91 -3.42 132.00 126.02 1vln h PRO 234 Ca -0.47 -0.68 -0.44 0.00 -0.87 0.00 0.00 66.00 63.54 1vln h PRO 234 Cb 1.19 0.25 -0.14 0.00 0.13 0.00 0.00 31.00 32.44 1vln h PRO 234 CO 0.44 1.32 -0.56 0.16 -0.23 0.00 0.00 178.00 179.13 1vln s ASP 235 N -7.34 1.80 -0.55 1.44 1.47 -1.26 -4.90 116.67 107.34 1vln s ASP 235 Ca -0.07 -1.54 0.01 0.00 1.18 0.00 0.00 52.55 52.13 1vln s ASP 235 Cb 0.06 0.33 0.53 0.00 -0.34 0.00 0.00 42.92 43.50 1vln s ASP 235 CO 0.91 -0.85 1.92 0.00 0.68 0.00 0.00 175.17 177.83 1vln n ALA 236 N -0.64 5.89 1.00 2.11 0.00 -1.26 -4.77 120.51 122.85 1vln n ALA 236 Ca -0.01 -3.27 0.12 0.00 0.00 0.00 0.00 53.44 50.29 1vln n ALA 236 Cb 0.65 -1.52 0.10 0.00 0.00 0.00 0.00 19.45 18.68 1vln n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59