#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vln n ASP 2 N 0.00 -1.10 -4.20 0.00 8.00 -1.26 -5.04 116.55 112.94 1vln n ASP 2 Ca 0.00 -1.29 -0.33 0.00 0.71 0.00 0.00 54.79 53.88 1vln n ASP 2 Cb 0.00 -0.98 -0.15 0.00 -0.02 0.00 0.00 41.12 39.97 1vln n ASP 2 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1vln s THR 3 N -3.32 2.50 -0.06 -3.53 2.01 -1.26 -5.01 115.64 106.97 1vln s THR 3 Ca 0.71 -0.80 0.02 0.00 0.31 0.00 0.00 61.69 61.93 1vln s THR 3 Cb -0.05 -2.07 0.01 0.00 0.01 0.00 0.00 72.50 70.41 1vln s THR 3 CO 0.52 0.51 -0.13 -0.63 -0.69 0.00 0.00 174.62 174.21 1vln s ILE 4 N 1.15 1.15 -0.16 1.82 -1.09 -1.26 -3.42 121.20 119.38 1vln s ILE 4 Ca 0.01 -0.50 0.01 0.00 -2.23 0.00 0.00 60.65 57.94 1vln s ILE 4 Cb -0.14 -1.04 0.03 0.00 -1.58 0.00 0.00 42.46 39.72 1vln s ILE 4 CO -0.06 0.35 -0.15 -0.69 -1.23 0.00 0.00 174.94 173.16 1vln s VAL 5 N 0.58 1.69 0.09 2.92 1.01 -0.97 -0.43 120.40 125.28 1vln s VAL 5 Ca -0.13 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.10 1vln s VAL 5 Cb -0.15 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 1vln s VAL 5 CO 0.03 0.43 -0.07 0.00 0.00 0.00 0.00 175.10 175.49 1vln s ALA 6 N 1.43 0.89 -0.30 5.51 0.00 0.58 -1.48 121.76 128.39 1vln s ALA 6 Ca 0.04 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 50.78 1vln s ALA 6 Cb -0.13 0.13 0.06 0.00 0.00 0.00 0.00 23.12 23.18 1vln s ALA 6 CO -0.11 -0.19 -0.02 0.08 0.00 0.00 0.00 175.76 175.53 1vln s VAL 7 N -3.13 2.68 0.14 0.00 1.01 -0.45 -0.17 120.40 120.48 1vln s VAL 7 Ca 0.07 -1.59 -0.08 0.00 0.00 0.00 0.00 61.98 60.38 1vln s VAL 7 Cb 0.02 -2.61 -0.06 0.00 0.00 0.00 0.00 36.38 33.73 1vln s VAL 7 CO -0.04 -0.16 0.42 -1.83 0.00 0.00 0.00 175.10 173.49 1vln s GLU 8 N 1.17 3.71 -0.66 2.72 -1.05 -0.23 -1.41 118.70 122.94 1vln s GLU 8 Ca -0.04 0.08 0.03 0.00 -0.15 0.00 0.00 54.97 54.89 1vln s GLU 8 Cb -0.20 -2.86 0.16 0.00 -0.44 0.00 0.00 34.13 30.79 1vln s GLU 8 CO -0.03 0.47 0.45 -0.51 0.95 0.00 0.00 175.26 176.59 1vln s LEU 9 N -2.42 4.82 -0.56 1.83 1.02 0.11 -1.92 118.68 121.55 1vln s LEU 9 Ca 0.39 -3.44 -0.22 0.00 0.02 0.00 0.00 54.13 50.88 1vln s LEU 9 Cb -0.13 -1.71 0.05 0.00 0.02 0.00 0.00 46.19 44.43 1vln s LEU 9 CO 0.22 -0.18 0.84 -0.62 0.02 0.00 0.00 176.35 176.63 1vln s ASP 10 N -0.62 6.27 0.41 2.29 -1.08 0.08 -1.11 116.67 122.90 1vln s ASP 10 Ca 0.22 -0.68 0.23 0.00 -0.52 0.00 0.00 52.55 51.80 1vln s ASP 10 Cb -0.14 -2.38 0.40 0.00 -1.46 0.00 0.00 42.92 39.34 1vln s ASP 10 CO -0.09 -1.16 1.63 0.71 0.52 0.00 0.00 175.17 176.77 1vln h THR 11 N 5.96 0.00 -3.27 1.71 1.35 -1.76 -0.03 112.91 116.87 1vln h THR 11 Ca -0.27 -0.93 -0.68 0.00 -0.55 0.00 0.00 66.41 63.99 1vln h THR 11 Cb 1.08 1.92 -0.33 0.00 -1.73 0.00 0.00 68.15 69.09 1vln h THR 11 CO 1.07 0.00 -0.86 -0.47 -0.25 0.00 0.00 175.52 175.01 1vln s TYR 12 N -3.20 2.65 -0.70 4.73 5.04 -1.25 -4.49 117.35 120.13 1vln s TYR 12 Ca 0.07 -1.17 -0.27 0.00 -2.44 0.00 0.00 57.07 53.26 1vln s TYR 12 Cb 0.06 -1.78 0.03 0.00 0.35 0.00 0.00 41.96 40.62 1vln s TYR 12 CO 0.66 -0.51 1.26 -1.25 -1.34 0.00 0.00 175.55 174.37 1vln s PRO 13 N 0.62 3.26 -1.07 4.97 0.04 -1.26 -4.93 135.00 136.63 1vln s PRO 13 Ca -0.12 -0.14 -0.04 0.00 0.04 0.00 0.00 61.00 60.74 1vln s PRO 13 Cb -0.16 -4.14 0.30 0.00 0.04 0.00 0.00 34.50 30.54 1vln s PRO 13 CO 0.03 -2.04 1.42 0.09 0.04 0.00 0.00 177.00 176.54 1vln n ASN 14 N 9.14 6.24 0.22 6.66 4.13 -1.26 -4.85 115.26 135.54 1vln n ASN 14 Ca 0.04 -3.37 0.13 0.00 1.68 0.00 0.00 54.58 53.06 1vln n ASN 14 Cb 0.49 -1.26 0.72 0.00 -1.54 0.00 0.00 39.78 38.18 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 3.44 0.00 0.00 3.41 1.35 -1.85 -1.54 112.91 117.73 1vln h THR 15 Ca 0.20 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 66.05 1vln h THR 15 Cb 0.64 0.58 -0.00 0.00 -1.73 0.00 0.00 68.15 67.65 1vln h THR 15 CO 1.28 0.00 -0.03 -2.24 -0.25 0.00 0.00 175.52 174.29 1vln h ASP 16 N 0.00 0.00 0.00 5.36 2.03 -1.88 -2.72 116.42 119.20 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 0.14 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.64 1vln h ASP 16 CO 0.00 0.03 -0.15 2.30 -1.03 0.00 0.00 179.24 180.39 1vln n ILE 17 N -3.13 1.96 0.00 4.15 -5.35 -0.61 -5.00 119.36 111.38 1vln n ILE 17 Ca 0.01 -2.53 0.00 0.00 -0.27 0.00 0.00 62.75 59.96 1vln n ILE 17 Cb 0.34 -0.23 0.00 0.00 -1.74 0.00 0.00 39.64 38.01 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 -1.33 2.97 3.60 3.28 0.00 -1.03 -4.72 105.19 107.98 1vln n GLY 18 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1vln n GLY 18 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1vln n ASP 19 N 0.00 1.14 -4.71 1.61 8.00 -1.04 -4.88 116.55 116.66 1vln n ASP 19 Ca 0.00 1.01 -0.29 0.00 0.71 0.00 0.00 54.79 56.22 1vln n ASP 19 Cb 0.00 -1.35 0.15 0.00 -0.02 0.00 0.00 41.12 39.90 1vln n ASP 19 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 1vln s PRO 20 N -2.07 0.95 -1.25 -0.24 0.02 -1.26 -3.94 135.00 127.21 1vln s PRO 20 Ca 0.64 0.62 -0.07 0.00 0.02 0.00 0.00 61.00 62.21 1vln s PRO 20 Cb -0.54 -1.79 0.02 0.00 0.02 0.00 0.00 34.50 32.21 1vln s PRO 20 CO 0.56 -2.40 2.69 0.43 -0.33 0.00 0.00 177.00 177.95 1vln n SER 21 N -3.96 7.95 0.00 2.53 7.64 -1.26 -4.65 113.62 121.87 1vln n SER 21 Ca 0.06 -2.93 0.00 0.00 1.01 0.00 0.00 58.87 57.01 1vln n SER 21 Cb 0.57 -1.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.35 1vln n SER 21 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vln n TYR 22 N 2.27 0.00 -1.82 1.43 0.18 -1.26 -5.03 117.16 112.92 1vln n TYR 22 Ca 0.65 0.00 -0.39 0.00 1.88 0.00 0.00 57.90 60.04 1vln n TYR 22 Cb 0.31 0.00 0.02 0.00 -0.38 0.00 0.00 39.34 39.30 1vln n TYR 22 CO 0.00 0.00 0.00 -2.14 -2.08 0.00 0.00 176.86 172.64 1vln s PRO 23 N -2.00 3.52 0.24 -3.48 0.02 -1.26 -4.58 135.00 127.46 1vln s PRO 23 Ca 0.00 2.32 -0.15 0.00 0.02 0.00 0.00 61.00 63.19 1vln s PRO 23 Cb 0.00 -2.52 0.01 0.00 0.02 0.00 0.00 34.50 32.01 1vln s PRO 23 CO 0.00 -0.92 0.52 -3.38 -0.33 0.00 0.00 177.00 172.90 1vln s HIS 24 N -1.25 0.17 -0.01 6.54 -3.43 -0.03 -1.63 115.29 115.66 1vln s HIS 24 Ca 0.64 -0.55 0.05 0.00 -0.80 0.00 0.00 55.06 54.40 1vln s HIS 24 Cb -0.42 0.32 -0.03 0.00 -1.43 0.00 0.00 32.58 31.02 1vln s HIS 24 CO 0.52 -1.02 -0.15 0.96 -2.00 0.00 0.00 174.74 173.05 1vln s ILE 25 N -3.97 3.00 0.18 -5.38 -4.36 -0.40 -0.74 121.20 109.52 1vln s ILE 25 Ca 0.18 -0.93 -0.14 0.00 -0.26 0.00 0.00 60.65 59.50 1vln s ILE 25 Cb -0.02 -2.22 0.01 0.00 1.25 0.00 0.00 42.46 41.49 1vln s ILE 25 CO 0.06 0.46 0.44 -0.83 0.24 0.00 0.00 174.94 175.31 1vln s GLY 26 N -1.10 0.12 -0.25 6.27 0.00 -0.81 -0.82 107.32 110.74 1vln s GLY 26 Ca 0.13 -0.47 -0.06 0.00 0.00 0.00 0.00 44.72 44.33 1vln s GLY 26 CO 0.03 -0.47 0.02 -0.42 0.00 0.00 0.00 173.10 172.26 1vln s ILE 27 N -3.91 3.83 -0.15 0.90 1.01 -0.64 -1.06 121.20 121.17 1vln s ILE 27 Ca 0.12 -0.41 -0.02 0.00 0.00 0.00 0.00 60.65 60.33 1vln s ILE 27 Cb 0.01 -2.81 -0.02 0.00 0.01 0.00 0.00 42.46 39.64 1vln s ILE 27 CO -0.02 0.33 -0.07 -1.81 0.00 0.00 0.00 174.94 173.37 1vln s ASP 28 N 1.53 4.48 -0.27 3.58 1.01 0.76 -0.12 116.67 127.65 1vln s ASP 28 Ca 0.05 -0.22 -0.01 0.00 0.71 0.00 0.00 52.55 53.09 1vln s ASP 28 Cb -0.15 -1.72 0.08 0.00 1.01 0.00 0.00 42.92 42.14 1vln s ASP 28 CO 0.00 0.15 0.05 -0.63 0.21 0.00 0.00 175.17 174.96 1vln s ILE 29 N 0.44 1.00 0.00 0.77 1.09 -1.26 -0.31 121.20 122.93 1vln s ILE 29 Ca -0.06 -1.22 0.00 0.00 -1.10 0.00 0.00 60.65 58.27 1vln s ILE 29 Cb -0.15 -1.60 0.00 0.00 -1.06 0.00 0.00 42.46 39.65 1vln s ILE 29 CO 0.04 -0.45 0.00 0.29 -0.10 0.00 0.00 174.94 174.72 1vln n LYS 30 N 4.83 0.00 -3.78 2.79 5.02 0.43 -4.91 118.16 122.53 1vln n LYS 30 Ca -0.05 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.11 1vln n LYS 30 Cb 0.44 -3.76 -0.09 0.00 -0.02 0.00 0.00 35.03 31.59 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 -2.36 -0.18 0.34 4.39 0.15 -1.26 -4.94 113.70 109.84 1vln s SER 31 Ca 0.00 0.14 0.27 0.00 0.70 0.00 0.00 55.95 57.06 1vln s SER 31 Cb 0.00 0.36 1.09 0.00 -1.71 0.00 0.00 66.02 65.75 1vln s SER 31 CO 0.00 -0.36 1.79 1.62 1.20 0.00 0.00 173.24 177.49 1vln h VAL 32 N 4.10 0.00 -2.28 4.45 3.04 -1.88 -3.38 116.25 120.30 1vln h VAL 32 Ca -0.29 -0.32 -0.65 0.00 -1.01 0.00 0.00 66.70 64.43 1vln h VAL 32 Cb 1.18 1.14 -0.15 0.00 -2.01 0.00 0.00 31.29 31.45 1vln h VAL 32 CO 0.38 0.00 0.85 -0.13 -1.01 0.00 0.00 177.57 177.67 1vln s ARG 33 N -3.41 3.41 0.25 4.17 1.81 -1.26 -4.99 118.95 118.92 1vln s ARG 33 Ca 0.03 -1.27 -0.27 0.00 -1.72 0.00 0.00 55.73 52.50 1vln s ARG 33 Cb 0.09 -4.72 -0.16 0.00 -0.45 0.00 0.00 34.95 29.72 1vln s ARG 33 CO 0.44 -1.88 0.65 0.43 -0.68 0.00 0.00 175.30 174.27 1vln n SER 34 N 7.46 -0.51 0.09 0.23 7.64 -1.26 -4.87 113.62 122.40 1vln n SER 34 Ca 0.15 1.12 -0.05 0.00 1.01 0.00 0.00 58.87 61.10 1vln n SER 34 Cb 0.48 -1.06 0.12 0.00 -1.01 0.00 0.00 64.21 62.74 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 1.26 0.21 -2.61 1.43 1.79 -0.86 -3.45 116.57 114.34 1vln h LYS 35 Ca -0.33 -0.15 -0.11 0.00 -2.18 0.00 0.00 60.65 57.89 1vln h LYS 35 Cb 1.41 0.02 -0.23 0.00 -1.58 0.00 0.00 32.23 31.85 1vln h LYS 35 CO 0.57 0.76 -0.17 0.21 -1.08 0.00 0.00 179.45 179.74 1vln s LYS 36 N -3.73 0.55 0.31 3.15 2.47 -1.25 -5.02 119.74 116.23 1vln s LYS 36 Ca -0.04 0.63 0.03 0.00 -1.56 0.00 0.00 55.97 55.03 1vln s LYS 36 Cb 0.12 0.27 -0.06 0.00 -1.46 0.00 0.00 37.83 36.70 1vln s LYS 36 CO 0.79 -0.07 0.08 0.95 0.16 0.00 0.00 175.35 177.26 1vln s THR 37 N 0.20 0.94 -0.10 3.43 -4.23 -1.26 -1.63 115.64 112.99 1vln s THR 37 Ca -0.00 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.38 1vln s THR 37 Cb -0.03 -2.71 0.03 0.00 1.34 0.00 0.00 72.50 71.12 1vln s THR 37 CO 0.01 0.00 0.33 0.00 -0.54 0.00 0.00 174.62 174.42 1vln s ALA 38 N -3.44 -0.82 0.22 3.99 0.00 0.00 -4.98 121.76 116.73 1vln s ALA 38 Ca 0.36 0.81 -0.31 0.00 0.00 0.00 0.00 51.96 52.82 1vln s ALA 38 Cb 0.08 -0.41 -0.10 0.00 0.00 0.00 0.00 23.12 22.69 1vln s ALA 38 CO 0.15 -0.18 1.50 0.21 0.00 0.00 0.00 175.76 177.44 1vln s LYS 39 N -0.18 4.23 -0.11 0.00 2.20 -1.26 -1.28 119.74 123.34 1vln s LYS 39 Ca -0.03 2.35 0.02 0.00 -0.36 0.00 0.00 55.97 57.94 1vln s LYS 39 Cb -0.03 -3.12 0.01 0.00 -1.51 0.00 0.00 37.83 33.19 1vln s LYS 39 CO 0.01 -0.51 -0.16 -0.46 -0.36 0.00 0.00 175.35 173.87 1vln s TRP 40 N 0.42 2.10 -1.23 4.03 -0.00 -0.65 -4.79 118.94 118.82 1vln s TRP 40 Ca 0.64 -1.01 -0.11 0.00 -0.00 0.00 0.00 56.10 55.62 1vln s TRP 40 Cb -0.43 -1.50 0.18 0.00 -0.00 0.00 0.00 33.47 31.73 1vln s TRP 40 CO 0.39 -0.51 1.59 0.09 -0.00 0.00 0.00 176.95 178.52 1vln n ASN 41 N 4.19 5.26 -4.71 5.86 3.02 -1.26 -4.48 115.26 123.14 1vln n ASN 41 Ca -0.19 -3.06 -0.43 0.00 -0.03 0.00 0.00 54.58 50.87 1vln n ASN 41 Cb 0.51 -1.51 -0.03 0.00 -0.61 0.00 0.00 39.78 38.15 1vln n ASN 41 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1vln n MET 42 N 4.53 2.51 -3.71 3.52 0.00 -1.26 -4.98 117.12 117.74 1vln n MET 42 Ca 0.37 0.90 -0.38 0.00 -0.00 0.00 0.00 57.70 58.59 1vln n MET 42 Cb 0.39 -2.68 -0.11 0.00 0.00 0.00 0.00 33.22 30.83 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 0.25 2.16 -0.01 2.12 -0.21 -1.26 -5.07 119.66 117.64 1vln s GLN 43 Ca 0.71 -1.83 -0.37 0.00 0.02 0.00 0.00 55.36 53.89 1vln s GLN 43 Cb -0.56 -3.70 -0.15 0.00 1.00 0.00 0.00 33.01 29.61 1vln s GLN 43 CO 0.42 -1.11 1.56 -1.71 -2.12 0.00 0.00 175.29 172.33 1vln n ASN 44 N 4.66 2.37 0.00 5.90 2.85 -1.26 -2.08 115.26 127.70 1vln n ASN 44 Ca -0.04 1.08 0.00 0.00 -0.11 0.00 0.00 54.58 55.52 1vln n ASN 44 Cb 0.41 -1.25 0.00 0.00 1.24 0.00 0.00 39.78 40.18 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 3.37 1.54 3.75 8.20 0.00 0.12 -4.97 105.19 117.19 1vln n GLY 45 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.36 2.84 -0.11 1.61 1.02 -0.88 -4.92 119.74 118.94 1vln s LYS 46 Ca 0.00 -0.67 -0.30 0.00 0.02 0.00 0.00 55.97 55.02 1vln s LYS 46 Cb 0.00 -2.71 -0.02 0.00 -0.52 0.00 0.00 37.83 34.58 1vln s LYS 46 CO 0.00 0.58 1.18 0.08 -0.92 0.00 0.00 175.35 176.28 1vln s VAL 47 N -1.30 4.36 0.53 3.17 1.01 -1.26 -4.30 120.40 122.61 1vln s VAL 47 Ca 0.26 1.66 0.03 0.00 0.00 0.00 0.00 61.98 63.94 1vln s VAL 47 Cb -0.12 -4.07 0.01 0.00 0.00 0.00 0.00 36.38 32.20 1vln s VAL 47 CO 0.18 -0.06 0.22 -0.83 0.00 0.00 0.00 175.10 174.61 1vln s GLY 48 N 1.56 2.68 -0.02 4.51 0.00 -0.43 -4.65 107.32 110.97 1vln s GLY 48 Ca 0.54 -0.84 0.01 0.00 0.00 0.00 0.00 44.72 44.42 1vln s GLY 48 CO 0.18 -2.06 -0.02 -1.59 0.00 0.00 0.00 173.10 169.61 1vln s THR 49 N -2.82 0.24 -0.08 0.90 2.01 -0.14 -1.95 115.64 113.80 1vln s THR 49 Ca 0.21 -0.03 0.03 0.00 0.31 0.00 0.00 61.69 62.21 1vln s THR 49 Cb -0.00 -0.28 -0.02 0.00 0.01 0.00 0.00 72.50 72.21 1vln s THR 49 CO 0.13 0.12 -0.18 0.00 -0.69 0.00 0.00 174.62 173.99 1vln s ALA 50 N 0.52 2.45 -0.12 7.40 0.00 -0.47 -1.36 121.76 130.18 1vln s ALA 50 Ca -0.05 -0.98 -0.01 0.00 0.00 0.00 0.00 51.96 50.91 1vln s ALA 50 Cb -0.08 -0.93 0.04 0.00 0.00 0.00 0.00 23.12 22.15 1vln s ALA 50 CO -0.01 0.40 -0.01 -1.58 0.00 0.00 0.00 175.76 174.57 1vln s HIS 51 N -0.16 0.99 0.05 0.00 5.04 -0.57 -2.37 115.29 118.26 1vln s HIS 51 Ca -0.02 -0.52 0.06 0.00 -1.54 0.00 0.00 55.06 53.04 1vln s HIS 51 Cb -0.14 -0.98 -0.03 0.00 0.04 0.00 0.00 32.58 31.47 1vln s HIS 51 CO 0.04 -0.45 -0.12 0.42 -2.34 0.00 0.00 174.74 172.28 1vln s ILE 52 N 1.87 3.23 0.01 0.89 1.09 -0.36 -1.51 121.20 126.42 1vln s ILE 52 Ca 0.03 -1.08 -0.14 0.00 -1.10 0.00 0.00 60.65 58.36 1vln s ILE 52 Cb -0.14 -2.42 0.02 0.00 -1.06 0.00 0.00 42.46 38.86 1vln s ILE 52 CO -0.07 0.29 0.30 0.27 -0.10 0.00 0.00 174.94 175.64 1vln s ILE 53 N -1.03 0.07 -0.07 2.92 -4.36 -0.98 -1.26 121.20 116.49 1vln s ILE 53 Ca 0.17 -0.57 -0.30 0.00 -0.26 0.00 0.00 60.65 59.70 1vln s ILE 53 Cb -0.11 -0.74 0.07 0.00 1.25 0.00 0.00 42.46 42.93 1vln s ILE 53 CO 0.08 -0.31 0.68 -0.47 0.24 0.00 0.00 174.94 175.16 1vln s TYR 54 N -1.83 -0.66 -0.01 1.37 6.14 -0.84 -2.25 117.35 119.27 1vln s TYR 54 Ca -0.10 1.20 -0.12 0.00 0.64 0.00 0.00 57.07 58.69 1vln s TYR 54 Cb -0.03 0.39 0.01 0.00 0.42 0.00 0.00 41.96 42.75 1vln s TYR 54 CO 0.01 -0.58 0.24 0.54 0.64 0.00 0.00 175.55 176.40 1vln s ASN 55 N -1.01 -0.11 0.19 4.32 2.20 -1.26 -1.57 114.94 117.69 1vln s ASN 55 Ca -0.10 -0.01 0.24 0.00 -0.94 0.00 0.00 52.86 52.05 1vln s ASN 55 Cb -0.01 0.28 0.91 0.00 -2.00 0.00 0.00 41.25 40.43 1vln s ASN 55 CO 0.09 -0.40 1.73 -1.54 -2.94 0.00 0.00 177.10 174.04 1vln n SER 56 N 1.43 0.60 0.04 3.54 3.41 0.37 -1.73 113.62 121.28 1vln n SER 56 Ca -0.22 0.60 -0.06 0.00 -0.26 0.00 0.00 58.87 58.93 1vln n SER 56 Cb 0.56 -0.75 -0.04 0.00 -0.26 0.00 0.00 64.21 63.72 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 0.40 0.00 -3.33 2.07 -1.89 -3.36 116.25 110.14 1vln h VAL 57 Ca 0.00 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.44 1vln h VAL 57 Cb 0.50 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1vln h VAL 57 CO 0.00 0.12 -0.23 0.44 0.02 0.00 0.00 177.57 177.92 1vln h ASP 58 N -1.01 0.00 -6.22 0.57 3.32 -1.98 -3.48 116.42 107.62 1vln h ASP 58 Ca -0.02 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.58 1vln h ASP 58 Cb 0.35 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.91 1vln h ASP 58 CO 0.03 0.03 -0.84 0.29 -1.72 0.00 0.00 179.24 177.04 1vln n LYS 59 N -3.02 -4.56 -3.70 3.56 5.02 -0.70 -4.91 118.16 109.84 1vln n LYS 59 Ca 0.03 0.56 -0.18 0.00 -2.02 0.00 0.00 58.31 56.70 1vln n LYS 59 Cb 0.55 -5.05 -0.17 0.00 -0.02 0.00 0.00 35.03 30.33 1vln n LYS 59 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1vln s ARG 60 N -6.19 -0.05 -0.20 1.97 1.70 -1.26 -0.18 118.95 114.73 1vln s ARG 60 Ca 0.08 0.35 -0.24 0.00 -0.47 0.00 0.00 55.73 55.45 1vln s ARG 60 Cb -0.04 -0.40 -0.01 0.00 -0.57 0.00 0.00 34.95 33.93 1vln s ARG 60 CO 0.83 -0.28 0.81 -1.17 -1.08 0.00 0.00 175.30 174.42 1vln s LEU 61 N 1.83 4.13 0.25 -1.89 2.96 -0.25 -4.47 118.68 121.24 1vln s LEU 61 Ca 0.00 1.07 0.10 0.00 -0.22 0.00 0.00 54.13 55.08 1vln s LEU 61 Cb -0.12 -3.17 -0.05 0.00 0.50 0.00 0.00 46.19 43.34 1vln s LEU 61 CO -0.03 -0.44 -0.16 -0.44 -1.32 0.00 0.00 176.35 173.96 1vln s SER 62 N 1.24 3.09 -0.15 3.68 0.01 -0.95 -0.77 113.70 119.85 1vln s SER 62 Ca 0.36 -1.05 -0.16 0.00 1.31 0.00 0.00 55.95 56.40 1vln s SER 62 Cb -0.16 -0.22 0.04 0.00 0.21 0.00 0.00 66.02 65.89 1vln s SER 62 CO 0.10 -0.10 0.45 0.00 0.41 0.00 0.00 173.24 174.10 1vln s ALA 63 N -2.76 -1.12 -0.03 1.44 0.00 0.46 -2.31 121.76 117.44 1vln s ALA 63 Ca 0.27 1.21 0.04 0.00 0.00 0.00 0.00 51.96 53.48 1vln s ALA 63 Cb -0.02 -0.65 -0.01 0.00 0.00 0.00 0.00 23.12 22.44 1vln s ALA 63 CO 0.11 -0.22 -0.16 0.08 0.00 0.00 0.00 175.76 175.57 1vln s VAL 64 N 0.06 1.30 -0.03 0.00 1.01 -0.57 -1.04 120.40 121.13 1vln s VAL 64 Ca -0.01 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.32 1vln s VAL 64 Cb -0.03 -1.11 0.00 0.00 0.00 0.00 0.00 36.38 35.24 1vln s VAL 64 CO 0.01 0.38 -0.12 -0.69 0.00 0.00 0.00 175.10 174.68 1vln s VAL 65 N -0.15 1.01 0.30 2.92 1.01 0.35 -1.52 120.40 124.33 1vln s VAL 65 Ca 0.01 -0.48 -0.13 0.00 0.00 0.00 0.00 61.98 61.38 1vln s VAL 65 Cb -0.09 -0.89 0.01 0.00 0.00 0.00 0.00 36.38 35.42 1vln s VAL 65 CO 0.01 0.31 0.59 -0.94 0.00 0.00 0.00 175.10 175.06 1vln s SER 66 N 0.18 0.10 0.05 3.32 1.04 -0.47 -1.17 113.70 116.75 1vln s SER 66 Ca -0.04 -1.03 0.04 0.00 0.48 0.00 0.00 55.95 55.40 1vln s SER 66 Cb -0.10 0.69 -0.02 0.00 0.10 0.00 0.00 66.02 66.68 1vln s SER 66 CO 0.01 -1.33 -0.12 -0.31 0.98 0.00 0.00 173.24 172.47 1vln s TYR 67 N -3.43 1.05 0.24 5.02 1.51 -1.26 -0.97 117.35 119.50 1vln s TYR 67 Ca 0.20 -0.42 -0.31 0.00 -1.01 0.00 0.00 57.07 55.54 1vln s TYR 67 Cb -0.03 -0.61 -0.14 0.00 -0.11 0.00 0.00 41.96 41.08 1vln s TYR 67 CO 0.11 0.01 1.32 -2.30 -1.11 0.00 0.00 175.55 173.59 1vln n PRO 68 N 1.61 1.83 -3.10 -1.71 -0.02 -1.26 -2.22 135.00 130.13 1vln n PRO 68 Ca -0.20 0.65 -0.22 0.00 -2.02 0.00 0.00 63.50 61.71 1vln n PRO 68 Cb 0.55 -2.25 0.01 0.00 -0.02 0.00 0.00 33.50 31.79 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 1.93 -4.87 -4.15 2.55 3.02 -1.26 -4.97 115.26 107.51 1vln n ASN 69 Ca 0.11 -0.28 -0.10 0.00 -0.03 0.00 0.00 54.58 54.29 1vln n ASN 69 Cb 0.31 -3.99 -0.10 0.00 -0.61 0.00 0.00 39.78 35.39 1vln n ASN 69 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vln s ALA 70 N -3.02 0.87 0.84 5.41 0.00 -0.94 -5.15 121.76 119.78 1vln s ALA 70 Ca 0.31 -1.30 -0.11 0.00 0.00 0.00 0.00 51.96 50.86 1vln s ALA 70 Cb -0.15 0.18 0.10 0.00 0.00 0.00 0.00 23.12 23.25 1vln s ALA 70 CO 0.38 -0.26 1.10 -0.51 0.00 0.00 0.00 175.76 176.47 1vln s ASP 71 N -2.98 3.84 0.27 0.00 1.01 -1.26 -4.61 116.67 112.94 1vln s ASP 71 Ca 0.10 1.80 0.09 0.00 0.71 0.00 0.00 52.55 55.25 1vln s ASP 71 Cb 0.05 -2.44 -0.04 0.00 1.01 0.00 0.00 42.92 41.51 1vln s ASP 71 CO -0.06 -2.45 0.06 -0.94 0.21 0.00 0.00 175.17 171.99 1vln s SER 72 N -3.24 4.80 -0.06 0.27 1.04 -1.26 -4.48 113.70 110.77 1vln s SER 72 Ca 0.63 -0.56 0.01 0.00 0.48 0.00 0.00 55.95 56.51 1vln s SER 72 Cb -0.19 -0.97 -0.03 0.00 0.10 0.00 0.00 66.02 64.93 1vln s SER 72 CO 0.57 -0.04 -0.07 0.00 0.98 0.00 0.00 173.24 174.68 1vln s ALA 73 N -2.29 2.96 0.01 5.32 0.00 -0.32 -4.95 121.76 122.50 1vln s ALA 73 Ca 0.32 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 51.38 1vln s ALA 73 Cb -0.06 -1.20 -0.01 0.00 0.00 0.00 0.00 23.12 21.85 1vln s ALA 73 CO 0.21 0.58 -0.05 0.99 0.00 0.00 0.00 175.76 177.49 1vln s THR 74 N -0.83 0.37 -0.03 0.00 2.01 -1.26 -0.50 115.64 115.40 1vln s THR 74 Ca 0.13 -0.44 -0.04 0.00 0.31 0.00 0.00 61.69 61.65 1vln s THR 74 Cb -0.11 -0.36 0.01 0.00 0.01 0.00 0.00 72.50 72.05 1vln s THR 74 CO 0.02 -0.05 0.11 0.54 -0.69 0.00 0.00 174.62 174.55 1vln s VAL 75 N -0.48 0.01 0.01 3.82 0.11 -0.21 -4.78 120.40 118.88 1vln s VAL 75 Ca -0.02 -0.11 -0.01 0.00 -2.93 0.00 0.00 61.98 58.90 1vln s VAL 75 Cb -0.04 -0.20 -0.01 0.00 -1.53 0.00 0.00 36.38 34.60 1vln s VAL 75 CO -0.00 -0.06 -0.00 -0.44 -3.33 0.00 0.00 175.10 171.27 1vln s SER 76 N -0.16 0.15 -0.15 3.54 0.01 -1.26 -0.40 113.70 115.43 1vln s SER 76 Ca -0.02 -0.33 -0.08 0.00 1.31 0.00 0.00 55.95 56.84 1vln s SER 76 Cb -0.02 0.09 0.06 0.00 0.21 0.00 0.00 66.02 66.36 1vln s SER 76 CO 0.00 -0.23 0.36 -0.47 0.41 0.00 0.00 173.24 173.31 1vln s TYR 77 N -1.06 -0.54 -0.44 2.43 5.04 0.05 -4.95 117.35 117.89 1vln s TYR 77 Ca -0.12 1.15 -0.28 0.00 -2.44 0.00 0.00 57.07 55.38 1vln s TYR 77 Cb -0.07 0.19 0.00 0.00 0.35 0.00 0.00 41.96 42.43 1vln s TYR 77 CO -0.00 -0.33 1.50 -0.51 -1.34 0.00 0.00 175.55 174.87 1vln s ASP 78 N 1.56 6.16 -0.11 4.32 1.01 -1.26 -1.09 116.67 127.25 1vln s ASP 78 Ca -0.08 0.78 -0.05 0.00 0.71 0.00 0.00 52.55 53.90 1vln s ASP 78 Cb -0.10 -2.54 0.05 0.00 1.01 0.00 0.00 42.92 41.34 1vln s ASP 78 CO -0.11 -1.59 0.25 0.54 0.21 0.00 0.00 175.17 174.47 1vln s VAL 79 N 6.01 -0.04 -0.65 -1.27 0.11 0.75 -4.96 120.40 120.35 1vln s VAL 79 Ca 0.63 0.15 -0.19 0.00 -2.93 0.00 0.00 61.98 59.64 1vln s VAL 79 Cb -0.14 -0.39 0.11 0.00 -1.53 0.00 0.00 36.38 34.43 1vln s VAL 79 CO 0.31 0.06 0.78 -0.62 -3.33 0.00 0.00 175.10 172.30 1vln s ASP 80 N 1.27 6.28 0.49 3.54 2.15 -1.26 -4.18 116.67 124.95 1vln s ASP 80 Ca -0.09 -1.56 0.33 0.00 0.43 0.00 0.00 52.55 51.65 1vln s ASP 80 Cb -0.10 -2.32 1.68 0.00 -0.30 0.00 0.00 42.92 41.88 1vln s ASP 80 CO -0.09 -1.10 2.00 -0.07 -0.17 0.00 0.00 175.17 175.75 1vln h LEU 81 N 9.97 0.00 -2.08 -1.34 3.38 -1.98 -1.13 115.31 122.13 1vln h LEU 81 Ca -0.21 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 1vln h LEU 81 Cb 1.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 1vln h LEU 81 CO 1.08 0.00 -0.08 0.44 0.09 0.00 0.00 178.44 179.97 1vln h ASP 82 N 0.00 0.00 0.12 -0.43 5.19 -1.91 -0.20 116.42 119.19 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 0.13 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.64 1vln h ASP 82 CO 0.00 0.08 -0.50 0.59 -3.12 0.00 0.00 179.24 176.29 1vln n ASN 83 N -3.76 1.39 -0.06 6.45 3.02 -0.43 -4.58 115.26 117.29 1vln n ASN 83 Ca -0.02 -1.11 -0.13 0.00 -0.03 0.00 0.00 54.58 53.29 1vln n ASN 83 Cb 0.18 0.44 -0.04 0.00 -0.61 0.00 0.00 39.78 39.75 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 -0.62 0.80 -3.66 2.41 0.31 -0.52 -5.07 118.33 111.99 1vln n VAL 84 Ca 0.09 -0.13 -0.28 0.00 -0.01 0.00 0.00 64.34 64.00 1vln n VAL 84 Cb 0.39 -1.71 -0.03 0.00 -0.91 0.00 0.00 33.84 31.58 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 -6.80 4.22 1.25 7.52 1.43 -0.20 -5.01 118.68 121.09 1vln s LEU 85 Ca -0.18 0.46 -0.21 0.00 -1.03 0.00 0.00 54.13 53.17 1vln s LEU 85 Cb 0.07 -3.23 0.31 0.00 0.03 0.00 0.00 46.19 43.37 1vln s LEU 85 CO 0.23 -0.04 1.11 -2.16 0.23 0.00 0.00 176.35 175.72 1vln s PRO 86 N -3.22 -1.62 0.15 1.29 0.04 -1.26 -4.75 135.00 125.62 1vln s PRO 86 Ca 0.39 -0.18 -0.06 0.00 0.04 0.00 0.00 61.00 61.20 1vln s PRO 86 Cb -0.11 -1.56 -0.03 0.00 0.04 0.00 0.00 34.50 32.84 1vln s PRO 86 CO 0.28 -3.95 1.38 1.49 0.04 0.00 0.00 177.00 176.24 1vln h GLU 87 N -2.75 0.54 -5.53 4.56 4.81 -1.94 -3.43 114.58 110.83 1vln h GLU 87 Ca -0.43 -0.45 -0.66 0.00 -0.13 0.00 0.00 59.36 57.70 1vln h GLU 87 Cb 1.29 0.10 -0.23 0.00 0.63 0.00 0.00 28.75 30.54 1vln h GLU 87 CO 0.29 1.08 -0.71 -1.58 -0.73 0.00 0.00 179.01 177.36 1vln s TRP 88 N -3.64 2.93 0.28 0.92 0.52 -1.26 -1.83 118.94 116.85 1vln s TRP 88 Ca -0.07 -0.33 0.06 0.00 0.02 0.00 0.00 56.10 55.78 1vln s TRP 88 Cb 0.10 -1.86 -0.02 0.00 -1.15 0.00 0.00 33.47 30.54 1vln s TRP 88 CO 0.87 -0.00 0.24 1.33 0.02 0.00 0.00 176.95 179.40 1vln n VAL 89 N 3.20 0.00 -4.37 4.03 0.24 -0.44 -4.45 118.33 116.53 1vln n VAL 89 Ca -0.18 -2.00 -0.19 0.00 -2.04 0.00 0.00 64.34 59.93 1vln n VAL 89 Cb 0.53 1.01 -0.14 0.00 -1.47 0.00 0.00 33.84 33.76 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 -3.11 0.81 0.04 7.34 0.52 0.57 -0.24 118.95 124.89 1vln s ARG 90 Ca 0.33 -0.49 0.04 0.00 -0.52 0.00 0.00 55.73 55.09 1vln s ARG 90 Cb 0.02 -0.78 -0.04 0.00 0.52 0.00 0.00 34.95 34.67 1vln s ARG 90 CO 0.23 0.20 -0.04 0.14 0.02 0.00 0.00 175.30 175.85 1vln s VAL 91 N -0.49 3.78 0.09 3.52 -7.23 -1.26 -0.79 120.40 118.02 1vln s VAL 91 Ca 0.02 -0.87 -0.04 0.00 -1.81 0.00 0.00 61.98 59.28 1vln s VAL 91 Cb -0.05 -2.71 0.02 0.00 0.56 0.00 0.00 36.38 34.19 1vln s VAL 91 CO 0.00 0.28 0.21 0.61 -0.31 0.00 0.00 175.10 175.89 1vln n GLY 92 N 1.16 1.62 3.13 2.32 0.00 -0.58 -1.30 105.19 111.54 1vln n GLY 92 Ca -0.14 -1.05 -0.23 0.00 0.00 0.00 0.00 46.02 44.60 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 2.03 0.04 0.99 1.43 -0.47 -1.50 118.68 121.20 1vln s LEU 93 Ca 0.04 -0.28 0.02 0.00 -1.03 0.00 0.00 54.13 52.88 1vln s LEU 93 Cb -0.01 -0.79 -0.03 0.00 0.03 0.00 0.00 46.19 45.40 1vln s LEU 93 CO 0.03 0.19 -0.06 -0.55 0.23 0.00 0.00 176.35 176.18 1vln s SER 94 N -0.35 0.73 0.11 2.29 0.15 -0.17 -1.52 113.70 114.94 1vln s SER 94 Ca 0.06 -0.61 -0.16 0.00 0.70 0.00 0.00 55.95 55.94 1vln s SER 94 Cb -0.06 0.06 0.03 0.00 -1.71 0.00 0.00 66.02 64.35 1vln s SER 94 CO -0.01 -0.27 0.38 0.00 1.20 0.00 0.00 173.24 174.55 1vln s ALA 95 N -1.76 -0.88 0.15 5.45 0.00 -0.97 -0.54 121.76 123.21 1vln s ALA 95 Ca -0.08 -0.06 -0.15 0.00 0.00 0.00 0.00 51.96 51.66 1vln s ALA 95 Cb -0.08 0.64 0.03 0.00 0.00 0.00 0.00 23.12 23.71 1vln s ALA 95 CO -0.01 -0.61 0.41 -1.54 0.00 0.00 0.00 175.76 174.01 1vln s SER 96 N -2.73 -0.20 0.15 0.00 1.04 -1.19 -2.86 113.70 107.92 1vln s SER 96 Ca 0.02 -0.43 0.01 0.00 0.48 0.00 0.00 55.95 56.03 1vln s SER 96 Cb 0.02 0.49 -0.04 0.00 0.10 0.00 0.00 66.02 66.58 1vln s SER 96 CO -0.11 -0.90 0.01 0.42 0.98 0.00 0.00 173.24 173.63 1vln s THR 97 N -3.84 0.55 0.00 2.02 -4.23 -0.36 -0.94 115.64 108.84 1vln s THR 97 Ca 0.06 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 58.61 1vln s THR 97 Cb 0.01 -2.05 0.00 0.00 1.34 0.00 0.00 72.50 71.80 1vln s THR 97 CO -0.08 -0.52 0.00 0.61 -0.54 0.00 0.00 174.62 174.08 1vln n GLY 98 N -0.18 4.64 0.28 3.99 0.00 -1.26 -0.26 105.19 112.39 1vln n GLY 98 Ca -0.07 -0.63 -0.09 0.00 0.00 0.00 0.00 46.02 45.24 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 0.89-10.43 0.99 5.85 -1.96 -0.75 115.31 109.90 1vln h LEU 99 Ca 0.00 -0.31 -0.43 0.00 0.84 0.00 0.00 57.88 57.98 1vln h LEU 99 Cb 0.00 -0.24 0.03 0.00 0.37 0.00 0.00 40.66 40.82 1vln h LEU 99 CO 0.00 1.05 -0.18 -0.31 -0.34 0.00 0.00 178.44 178.65 1vln s TYR 100 N -4.70 2.93 0.28 1.25 1.51 -1.26 -4.92 117.35 112.43 1vln s TYR 100 Ca -0.10 -0.16 -0.14 0.00 -1.01 0.00 0.00 57.07 55.65 1vln s TYR 100 Cb 0.13 -2.42 0.01 0.00 -0.11 0.00 0.00 41.96 39.57 1vln s TYR 100 CO 0.85 -0.48 0.57 -1.59 -1.11 0.00 0.00 175.55 173.79 1vln s LYS 101 N -4.47 1.72 0.16 -0.62 0.00 -1.24 -4.55 119.74 110.73 1vln s LYS 101 Ca 0.53 -1.25 -0.25 0.00 0.00 0.00 0.00 55.97 55.00 1vln s LYS 101 Cb -0.10 0.52 0.07 0.00 0.00 0.00 0.00 37.83 38.32 1vln s LYS 101 CO 0.35 -0.74 0.97 -1.83 0.00 0.00 0.00 175.35 174.10 1vln s GLU 102 N -3.73 1.22 -0.03 1.78 -1.05 -1.16 -3.57 118.70 112.16 1vln s GLU 102 Ca 0.20 -0.69 -0.15 0.00 -0.15 0.00 0.00 54.97 54.18 1vln s GLU 102 Cb -0.02 0.40 -0.05 0.00 -0.44 0.00 0.00 34.13 34.02 1vln s GLU 102 CO 0.10 -0.56 0.39 0.95 0.95 0.00 0.00 175.26 177.09 1vln s THR 103 N -3.13 5.09 -0.72 1.83 -4.23 0.04 -4.76 115.64 109.77 1vln s THR 103 Ca 0.13 0.80 0.04 0.00 -1.18 0.00 0.00 61.69 61.49 1vln s THR 103 Cb -0.01 -3.70 0.22 0.00 1.34 0.00 0.00 72.50 70.34 1vln s THR 103 CO 0.03 0.53 0.69 0.59 -0.54 0.00 0.00 174.62 175.92 1vln n ASN 104 N 2.20 3.66 -4.73 3.99 4.13 -1.26 -3.86 115.26 119.40 1vln n ASN 104 Ca -0.13 -3.32 -0.36 0.00 1.68 0.00 0.00 54.58 52.44 1vln n ASN 104 Cb 0.52 -0.77 -0.07 0.00 -1.54 0.00 0.00 39.78 37.92 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 -1.99 5.32 -0.17 3.41 2.01 -1.05 -1.80 115.64 121.36 1vln s THR 105 Ca 0.32 0.51 -0.05 0.00 0.31 0.00 0.00 61.69 62.78 1vln s THR 105 Cb 0.05 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.91 1vln s THR 105 CO -0.08 0.40 0.00 -0.63 -0.69 0.00 0.00 174.62 173.62 1vln s ILE 106 N 0.45 4.16 -0.09 1.82 -1.09 0.11 -0.54 121.20 126.03 1vln s ILE 106 Ca 0.15 -0.26 0.21 0.00 -2.23 0.00 0.00 60.65 58.53 1vln s ILE 106 Cb -0.13 -2.85 -0.30 0.00 -1.58 0.00 0.00 42.46 37.60 1vln s ILE 106 CO 0.03 0.47 0.38 0.18 -1.23 0.00 0.00 174.94 174.76 1vln n LEU 107 N 3.73 0.05 -3.50 2.97 4.32 -0.43 -1.31 117.00 122.82 1vln n LEU 107 Ca -0.17 0.02 -0.10 0.00 -0.02 0.00 0.00 56.01 55.74 1vln n LEU 107 Cb 0.52 0.16 -0.03 0.00 -1.62 0.00 0.00 43.42 42.45 1vln n LEU 107 CO 0.33 0.15 0.63 -0.94 -1.22 0.00 0.00 177.39 176.35 1vln s SER 108 N -4.88 -0.42 -0.26 -1.43 1.04 -1.25 -4.39 113.70 102.11 1vln s SER 108 Ca -0.08 0.08 -0.16 0.00 0.48 0.00 0.00 55.95 56.27 1vln s SER 108 Cb 0.11 0.42 0.08 0.00 0.10 0.00 0.00 66.02 66.73 1vln s SER 108 CO 0.88 -0.65 0.65 0.86 0.98 0.00 0.00 173.24 175.96 1vln s TRP 109 N -2.92 -0.98 0.06 5.02 -0.00 -0.09 -2.47 118.94 117.56 1vln s TRP 109 Ca 0.03 2.00 0.03 0.00 -0.00 0.00 0.00 56.10 58.15 1vln s TRP 109 Cb -0.01 0.55 -0.03 0.00 -0.00 0.00 0.00 33.47 33.99 1vln s TRP 109 CO -0.08 -0.49 -0.09 -1.54 -0.00 0.00 0.00 176.95 174.76 1vln s SER 110 N 1.48 1.09 -0.09 5.86 1.04 0.22 -0.54 113.70 122.76 1vln s SER 110 Ca -0.09 -0.69 -0.11 0.00 0.48 0.00 0.00 55.95 55.54 1vln s SER 110 Cb -0.05 0.03 0.03 0.00 0.10 0.00 0.00 66.02 66.13 1vln s SER 110 CO -0.17 -0.25 0.30 0.12 0.98 0.00 0.00 173.24 174.22 1vln s PHE 111 N -1.96 -0.29 -0.06 5.02 5.36 -0.40 -1.69 117.98 123.96 1vln s PHE 111 Ca -0.03 0.68 -0.02 0.00 -0.96 0.00 0.00 56.93 56.60 1vln s PHE 111 Cb -0.06 0.10 0.04 0.00 -0.34 0.00 0.00 43.02 42.76 1vln s PHE 111 CO -0.00 -0.20 0.11 0.99 -1.46 0.00 0.00 175.22 174.65 1vln s THR 112 N -0.16 -0.13 -0.03 0.12 2.01 -0.75 -1.31 115.64 115.38 1vln s THR 112 Ca -0.03 0.30 0.06 0.00 0.31 0.00 0.00 61.69 62.33 1vln s THR 112 Cb -0.03 -0.21 -0.01 0.00 0.01 0.00 0.00 72.50 72.26 1vln s THR 112 CO 0.01 0.13 -0.22 -0.55 -0.69 0.00 0.00 174.62 173.30 1vln s SER 113 N 1.75 2.59 0.00 3.53 0.15 0.15 -1.73 113.70 120.14 1vln s SER 113 Ca -0.02 -0.41 0.04 0.00 0.70 0.00 0.00 55.95 56.26 1vln s SER 113 Cb -0.12 -0.48 -0.01 0.00 -1.71 0.00 0.00 66.02 63.69 1vln s SER 113 CO -0.05 0.24 -0.13 -0.54 1.20 0.00 0.00 173.24 173.97 1vln s LYS 114 N -0.31 0.97 -0.16 5.44 1.02 -0.59 -1.83 119.74 124.29 1vln s LYS 114 Ca 0.03 -0.50 -0.04 0.00 0.02 0.00 0.00 55.97 55.47 1vln s LYS 114 Cb -0.10 -0.95 0.06 0.00 -0.52 0.00 0.00 37.83 36.32 1vln s LYS 114 CO 0.01 0.25 0.08 -1.17 -0.92 0.00 0.00 175.35 173.60 1vln s LEU 115 N -0.47 0.41 -0.40 3.17 2.96 0.05 -2.16 118.68 122.23 1vln s LEU 115 Ca 0.04 -0.55 -0.15 0.00 -0.22 0.00 0.00 54.13 53.26 1vln s LEU 115 Cb -0.05 -0.27 0.02 0.00 0.50 0.00 0.00 46.19 46.39 1vln s LEU 115 CO -0.00 -0.33 0.29 -0.75 -1.32 0.00 0.00 176.35 174.24 1vln s LYS 116 N 2.11 2.98 0.00 1.98 2.47 -0.58 -0.22 119.74 128.48 1vln s LYS 116 Ca 0.02 -1.01 0.00 0.00 -1.56 0.00 0.00 55.97 53.42 1vln s LYS 116 Cb -0.16 -3.95 0.00 0.00 -1.46 0.00 0.00 37.83 32.26 1vln s LYS 116 CO -0.08 -0.73 0.00 0.43 0.16 0.00 0.00 175.35 175.13 1vln n SER 117 N 5.14 0.00 -3.21 1.43 7.64 -0.65 0.34 113.62 124.32 1vln n SER 117 Ca -0.11 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.57 1vln n SER 117 Cb 0.47 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.65 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 0.00 2.78 -3.74 6.43 6.94 -0.07 -4.52 115.26 123.08 1vln n ASN 118 Ca 0.00 -2.28 -0.07 0.00 -0.02 0.00 0.00 54.58 52.21 1vln n ASN 118 Cb 0.00 -0.87 -0.01 0.00 -2.36 0.00 0.00 39.78 36.54 1vln n ASN 118 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1vln s SER 119 N 4.39 -0.22 -1.27 0.53 0.01 -1.26 -5.04 113.70 110.84 1vln s SER 119 Ca 0.32 -0.63 -0.19 0.00 1.31 0.00 0.00 55.95 56.75 1vln s SER 119 Cb 0.08 0.70 0.03 0.00 0.21 0.00 0.00 66.02 67.04 1vln s SER 119 CO 0.03 -1.31 1.79 0.41 0.41 0.00 0.00 173.24 174.57 1vln n THR 120 N -0.47 3.42 -2.02 1.44 -1.04 -1.26 -4.01 114.28 110.33 1vln n THR 120 Ca -0.05 -3.56 -0.03 0.00 -2.04 0.00 0.00 64.05 58.37 1vln n THR 120 Cb 0.59 -2.30 0.02 0.00 -1.82 0.00 0.00 70.33 66.82 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 9.96 -0.49 -3.62 -1.42 -0.00 -1.26 -5.04 115.22 113.35 1vln n HIS 121 Ca 0.48 0.18 -0.39 0.00 -0.00 0.00 0.00 57.72 57.99 1vln n HIS 121 Cb 0.46 -2.76 -0.09 0.00 -0.00 0.00 0.00 29.99 27.60 1vln n HIS 121 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.34 174.34 1vln s GLU 122 N -3.66 2.37 -0.01 1.57 2.56 -1.26 -5.06 118.70 115.23 1vln s GLU 122 Ca 0.06 -1.84 -0.02 0.00 0.00 0.00 0.00 54.97 53.17 1vln s GLU 122 Cb -0.01 -3.83 -0.04 0.00 2.00 0.00 0.00 34.13 32.25 1vln s GLU 122 CO 0.15 -1.16 0.14 0.99 -0.56 0.00 0.00 175.26 174.81 1vln s THR 123 N 1.20 5.12 0.01 -1.70 2.01 -1.26 -1.63 115.64 119.38 1vln s THR 123 Ca 0.07 -0.27 0.07 0.00 0.31 0.00 0.00 61.69 61.87 1vln s THR 123 Cb -0.25 -3.37 -0.03 0.00 0.01 0.00 0.00 72.50 68.87 1vln s THR 123 CO -0.02 0.34 -0.22 0.20 -0.69 0.00 0.00 174.62 174.23 1vln s ASN 124 N -1.85 3.48 0.01 3.53 -0.87 0.69 -4.95 114.94 114.98 1vln s ASN 124 Ca 0.25 -0.45 -0.09 0.00 -1.57 0.00 0.00 52.86 51.01 1vln s ASN 124 Cb -0.12 -0.49 0.00 0.00 -0.02 0.00 0.00 41.25 40.62 1vln s ASN 124 CO 0.17 0.29 0.18 0.00 -2.57 0.00 0.00 177.10 175.16 1vln s ALA 125 N -0.78 -0.40 -0.02 0.60 0.00 -1.26 -0.77 121.76 119.12 1vln s ALA 125 Ca 0.12 -0.13 -0.00 0.00 0.00 0.00 0.00 51.96 51.95 1vln s ALA 125 Cb -0.10 0.17 0.03 0.00 0.00 0.00 0.00 23.12 23.21 1vln s ALA 125 CO 0.02 -0.27 0.03 -1.17 0.00 0.00 0.00 175.76 174.37 1vln s LEU 126 N -1.63 1.16 -0.04 0.00 2.96 -0.76 -5.00 118.68 115.36 1vln s LEU 126 Ca -0.11 0.05 -0.01 0.00 -0.22 0.00 0.00 54.13 53.84 1vln s LEU 126 Cb -0.05 -0.03 0.03 0.00 0.50 0.00 0.00 46.19 46.64 1vln s LEU 126 CO 0.00 -0.12 0.08 -2.28 -1.32 0.00 0.00 176.35 172.72 1vln s HIS 127 N 0.95 -0.06 0.04 5.38 5.65 -1.26 -0.68 115.29 125.31 1vln s HIS 127 Ca -0.08 0.28 0.02 0.00 0.25 0.00 0.00 55.06 55.53 1vln s HIS 127 Cb -0.11 -0.16 -0.02 0.00 -1.18 0.00 0.00 32.58 31.10 1vln s HIS 127 CO -0.03 -0.12 -0.07 -0.59 -0.65 0.00 0.00 174.74 173.28 1vln s PHE 128 N 1.08 0.60 -0.11 3.88 -0.12 -0.43 -5.00 117.98 117.87 1vln s PHE 128 Ca -0.09 -0.49 -0.05 0.00 -0.05 0.00 0.00 56.93 56.25 1vln s PHE 128 Cb -0.12 -0.37 0.05 0.00 -0.63 0.00 0.00 43.02 41.96 1vln s PHE 128 CO -0.04 -0.10 0.24 1.41 -0.05 0.00 0.00 175.22 176.68 1vln s MET 129 N -1.52 0.16 -0.21 1.99 1.75 -1.26 -1.28 119.30 118.93 1vln s MET 129 Ca -0.11 0.63 0.02 0.00 -1.25 0.00 0.00 55.69 54.98 1vln s MET 129 Cb -0.10 -0.10 0.04 0.00 2.84 0.00 0.00 34.83 37.52 1vln s MET 129 CO 0.00 -0.23 -0.14 -0.06 -0.65 0.00 0.00 175.02 173.94 1vln s PHE 130 N 1.91 2.77 -1.23 4.11 0.08 0.29 -4.92 117.98 120.99 1vln s PHE 130 Ca -0.03 -1.81 0.14 0.00 0.12 0.00 0.00 56.93 55.34 1vln s PHE 130 Cb -0.11 -1.81 0.37 0.00 -0.57 0.00 0.00 43.02 40.89 1vln s PHE 130 CO -0.08 -0.80 1.30 0.09 -0.10 0.00 0.00 175.22 175.62 1vln n ASN 131 N 4.59 3.10 -3.65 1.36 3.02 -1.26 -0.91 115.26 121.52 1vln n ASN 131 Ca -0.17 -1.97 -0.03 0.00 -0.03 0.00 0.00 54.58 52.39 1vln n ASN 131 Cb 0.46 -0.27 -0.07 0.00 -0.61 0.00 0.00 39.78 39.30 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 -1.01 0.21 0.00 3.52 0.74 -1.26 -4.82 119.66 117.04 1vln s GLN 132 Ca 0.29 0.29 0.01 0.00 0.05 0.00 0.00 55.36 56.00 1vln s GLN 132 Cb 0.15 0.08 -0.04 0.00 1.10 0.00 0.00 33.01 34.31 1vln s GLN 132 CO 0.20 -0.03 0.01 -0.06 -0.55 0.00 0.00 175.29 174.85 1vln s PHE 133 N 0.53 3.08 0.34 1.67 0.40 0.36 -5.03 117.98 119.33 1vln s PHE 133 Ca 0.00 0.08 0.07 0.00 -0.60 0.00 0.00 56.93 56.48 1vln s PHE 133 Cb -0.04 -1.67 -0.01 0.00 0.51 0.00 0.00 43.02 41.81 1vln s PHE 133 CO -0.12 0.47 0.42 -1.12 0.70 0.00 0.00 175.22 175.57 1vln s SER 134 N -1.59 5.75 0.53 1.36 0.01 -1.26 -3.79 113.70 114.72 1vln s SER 134 Ca 0.20 -0.29 0.27 0.00 1.31 0.00 0.00 55.95 57.44 1vln s SER 134 Cb -0.12 -1.13 1.50 0.00 0.21 0.00 0.00 66.02 66.48 1vln s SER 134 CO 0.11 -0.42 2.11 0.11 0.41 0.00 0.00 173.24 175.55 1vln h LYS 135 N 0.99 0.00 -2.72 12.44 1.57 -1.86 -2.96 116.57 124.03 1vln h LYS 135 Ca -0.45 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 57.74 1vln h LYS 135 Cb 1.26 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 33.17 1vln h LYS 135 CO 0.54 0.10 -0.82 0.34 -0.57 0.00 0.00 179.45 179.04 1vln s ASP 136 N -6.23 3.12 -0.89 0.86 2.15 -1.26 -4.80 116.67 109.62 1vln s ASP 136 Ca -0.03 -2.43 -0.18 0.00 0.43 0.00 0.00 52.55 50.34 1vln s ASP 136 Cb 0.14 -0.64 0.15 0.00 -0.30 0.00 0.00 42.92 42.26 1vln s ASP 136 CO 0.59 -0.28 1.03 -1.58 -0.17 0.00 0.00 175.17 174.75 1vln s GLN 137 N 0.71 3.57 0.57 4.34 2.00 -1.24 -4.91 119.66 124.68 1vln s GLN 137 Ca 0.19 -1.88 0.25 0.00 -2.00 0.00 0.00 55.36 51.93 1vln s GLN 137 Cb -0.21 -4.77 1.64 0.00 0.80 0.00 0.00 33.01 30.47 1vln s GLN 137 CO -0.01 -1.66 2.22 0.87 -0.50 0.00 0.00 175.29 176.21 1vln h LYS 138 N 8.63 0.00 -0.48 1.67 6.56 -1.97 -2.92 116.57 128.06 1vln h LYS 138 Ca 0.12 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.71 1vln h LYS 138 Cb 1.03 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.69 1vln h LYS 138 CO 1.03 0.01 0.00 -0.40 -2.06 0.00 0.00 179.45 178.03 1vln n ASP 139 N -4.05 2.17 -4.21 0.86 5.68 -1.26 -4.86 116.55 110.88 1vln n ASP 139 Ca -0.03 -2.13 -0.24 0.00 -0.50 0.00 0.00 54.79 51.88 1vln n ASP 139 Cb 0.09 -0.33 -0.14 0.00 -1.14 0.00 0.00 41.12 39.59 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 -1.07 2.12 -0.38 -2.12 1.43 -1.11 -1.23 118.68 116.33 1vln s LEU 140 Ca 0.22 -0.44 -0.11 0.00 -1.03 0.00 0.00 54.13 52.77 1vln s LEU 140 Cb 0.13 -0.89 0.03 0.00 0.03 0.00 0.00 46.19 45.49 1vln s LEU 140 CO 0.12 0.16 0.21 -0.63 0.23 0.00 0.00 176.35 176.44 1vln s ILE 141 N -0.68 4.58 -0.02 -0.59 1.01 0.22 -4.87 121.20 120.86 1vln s ILE 141 Ca 0.06 -0.87 -0.15 0.00 0.00 0.00 0.00 60.65 59.69 1vln s ILE 141 Cb -0.08 -3.56 -0.06 0.00 0.01 0.00 0.00 42.46 38.77 1vln s ILE 141 CO 0.01 -0.24 0.40 -0.76 0.00 0.00 0.00 174.94 174.35 1vln s LEU 142 N 1.55 4.45 0.05 2.97 1.43 -1.26 -1.33 118.68 126.54 1vln s LEU 142 Ca 0.02 0.93 0.05 0.00 -1.03 0.00 0.00 54.13 54.10 1vln s LEU 142 Cb -0.19 -2.58 -0.02 0.00 0.03 0.00 0.00 46.19 43.43 1vln s LEU 142 CO 0.07 0.30 -0.14 -1.10 0.23 0.00 0.00 176.35 175.70 1vln s GLN 143 N -0.90 0.88 5.70 1.70 -0.21 -0.37 -4.98 119.66 121.47 1vln s GLN 143 Ca 0.23 -0.83 0.00 0.00 0.02 0.00 0.00 55.36 54.79 1vln s GLN 143 Cb -0.16 -0.89 0.00 0.00 1.00 0.00 0.00 33.01 32.95 1vln s GLN 143 CO 0.13 0.21 0.00 0.41 -2.12 0.00 0.00 175.29 173.92 1vln n GLY 144 N 1.67 2.03 0.58 3.09 0.00 -1.26 -1.29 105.19 110.01 1vln n GLY 144 Ca -0.19 -0.53 0.04 0.00 0.00 0.00 0.00 46.02 45.34 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 3.08 1.63 -4.77 1.61 8.00 0.33 -4.93 116.55 121.52 1vln n ASP 145 Ca 0.00 -2.07 -0.39 0.00 0.71 0.00 0.00 54.79 53.04 1vln n ASP 145 Cb 0.00 -0.25 -0.02 0.00 -0.02 0.00 0.00 41.12 40.82 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 -1.65 3.26 0.01 2.24 0.00 -1.18 -4.16 121.76 120.30 1vln s ALA 146 Ca 0.17 1.05 -0.17 0.00 0.00 0.00 0.00 51.96 53.02 1vln s ALA 146 Cb 0.10 -3.41 0.03 0.00 0.00 0.00 0.00 23.12 19.84 1vln s ALA 146 CO 0.10 -0.54 0.36 0.95 0.00 0.00 0.00 175.76 176.63 1vln s THR 147 N -1.31 0.06 0.52 0.00 -4.23 -0.61 -4.79 115.64 105.28 1vln s THR 147 Ca 0.54 -0.49 0.02 0.00 -1.18 0.00 0.00 61.69 60.57 1vln s THR 147 Cb -0.34 -0.82 -0.00 0.00 1.34 0.00 0.00 72.50 72.68 1vln s THR 147 CO 0.43 -0.27 0.06 0.42 -0.54 0.00 0.00 174.62 174.72 1vln s THR 148 N -1.95 1.20 0.00 3.99 -4.23 -1.26 -1.61 115.64 111.78 1vln s THR 148 Ca -0.09 -1.93 0.00 0.00 -1.18 0.00 0.00 61.69 58.49 1vln s THR 148 Cb -0.02 -2.13 0.00 0.00 1.34 0.00 0.00 72.50 71.69 1vln s THR 148 CO 0.01 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 1vln n GLY 149 N -1.35 2.92 3.57 3.99 0.00 -1.12 -4.56 105.19 108.64 1vln n GLY 149 Ca -0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.69 3.38 -1.19 2.61 2.01 -1.20 -2.31 115.64 116.24 1vln s THR 150 Ca 0.00 -0.53 0.00 0.00 0.31 0.00 0.00 61.69 61.47 1vln s THR 150 Cb 0.00 -4.16 0.00 0.00 0.01 0.00 0.00 72.50 68.35 1vln s THR 150 CO 0.00 -0.73 0.00 -0.67 -0.69 0.00 0.00 174.62 172.53 1vln n ASP 151 N 15.55 -4.29 0.00 3.53 2.03 -1.26 -1.87 116.55 130.24 1vln n ASP 151 Ca 0.43 0.24 0.00 0.00 0.52 0.00 0.00 54.79 55.98 1vln n ASP 151 Cb 0.46 -2.93 0.00 0.00 -0.72 0.00 0.00 41.12 37.93 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 -1.47 0.58 3.96 0.27 0.00 -0.98 -4.99 105.19 102.57 1vln n GLY 152 Ca -0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.12 5.09 -0.20 1.61 0.01 -0.78 -0.48 114.94 118.06 1vln s ASN 153 Ca 0.00 -0.82 -0.01 0.00 -0.71 0.00 0.00 52.86 51.31 1vln s ASN 153 Cb 0.00 -0.09 0.01 0.00 0.41 0.00 0.00 41.25 41.58 1vln s ASN 153 CO 0.00 -0.99 -0.12 -0.22 -1.51 0.00 0.00 177.10 174.25 1vln s LEU 154 N -4.38 2.56 -0.35 0.60 2.96 -0.43 -2.81 118.68 116.82 1vln s LEU 154 Ca 0.51 -0.59 -0.11 0.00 -0.22 0.00 0.00 54.13 53.72 1vln s LEU 154 Cb -0.05 -1.60 0.01 0.00 0.50 0.00 0.00 46.19 45.05 1vln s LEU 154 CO 0.31 -0.03 0.19 -1.61 -1.32 0.00 0.00 176.35 173.90 1vln s GLU 155 N 1.36 3.06 0.12 1.98 0.41 -0.63 0.09 118.70 125.09 1vln s GLU 155 Ca 0.05 -0.92 -0.08 0.00 -0.41 0.00 0.00 54.97 53.60 1vln s GLU 155 Cb -0.14 -3.68 -0.10 0.00 -1.78 0.00 0.00 34.13 28.43 1vln s GLU 155 CO -0.08 -0.58 1.32 -0.07 -0.49 0.00 0.00 175.26 175.36 1vln h LEU 156 N 8.42 0.75 -9.55 1.80 3.38 -1.63 -1.63 115.31 116.84 1vln h LEU 156 Ca -0.28 -0.52 -0.57 0.00 0.09 0.00 0.00 57.88 56.60 1vln h LEU 156 Cb 1.12 -0.22 -0.10 0.00 0.09 0.00 0.00 40.66 41.55 1vln h LEU 156 CO 0.65 1.31 -0.64 0.42 0.09 0.00 0.00 178.44 180.26 1vln s THR 157 N -3.57 3.17 0.18 0.22 -4.23 -1.26 -2.90 115.64 107.25 1vln s THR 157 Ca -0.08 -1.95 -0.32 0.00 -1.18 0.00 0.00 61.69 58.16 1vln s THR 157 Cb 0.09 -2.79 -0.12 0.00 1.34 0.00 0.00 72.50 71.02 1vln s THR 157 CO 0.88 -0.33 1.77 -1.14 -0.54 0.00 0.00 174.62 175.26 1vln n ARG 158 N -0.90 2.80 -4.84 3.99 0.63 -1.26 -4.83 116.66 112.25 1vln n ARG 158 Ca -0.06 1.01 -0.30 0.00 -0.92 0.00 0.00 57.85 57.59 1vln n ARG 158 Cb 0.60 -2.88 -0.14 0.00 0.45 0.00 0.00 32.46 30.48 1vln n ARG 158 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1vln s VAL 159 N 1.71 2.16 0.47 5.15 1.01 -1.26 -1.30 120.40 128.34 1vln s VAL 159 Ca 0.77 -1.44 -0.16 0.00 0.00 0.00 0.00 61.98 61.16 1vln s VAL 159 Cb -0.49 -1.85 -0.08 0.00 0.00 0.00 0.00 36.38 33.96 1vln s VAL 159 CO 0.34 0.33 0.92 -0.44 0.00 0.00 0.00 175.10 176.25 1vln s SER 160 N -1.35 6.64 0.39 3.32 0.01 0.35 -4.89 113.70 118.17 1vln s SER 160 Ca 0.12 1.47 0.19 0.00 1.31 0.00 0.00 55.95 59.04 1vln s SER 160 Cb -0.10 -2.46 1.14 0.00 0.21 0.00 0.00 66.02 64.80 1vln s SER 160 CO 0.03 -0.51 1.73 0.28 0.41 0.00 0.00 173.24 175.18 1vln h SER 161 N 1.15 0.44 0.29 2.44 0.02 -2.01 0.61 113.55 116.48 1vln h SER 161 Ca -0.47 0.11 -0.18 0.00 -0.84 0.00 0.00 61.79 60.40 1vln h SER 161 Cb 1.18 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 1vln h SER 161 CO 0.62 0.02 -0.74 -0.55 -1.14 0.00 0.00 176.83 175.04 1vln h ASN 162 N 0.35 0.46 0.00 3.07 -1.07 -2.06 -3.47 115.58 112.86 1vln h ASN 162 Ca 0.65 -0.30 0.00 0.00 0.07 0.00 0.00 56.30 56.72 1vln h ASN 162 Cb 1.69 -0.14 0.00 0.00 -2.07 0.00 0.00 38.32 37.80 1vln h ASN 162 CO -0.37 1.04 0.00 0.61 0.07 0.00 0.00 177.43 178.79 1vln n GLY 163 N 0.57 0.74 3.67 9.14 0.00 0.21 -5.15 105.19 114.38 1vln n GLY 163 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.79 5.62 0.70 1.61 0.01 -1.22 -4.77 113.70 114.86 1vln s SER 164 Ca 0.00 0.14 -0.15 0.00 1.31 0.00 0.00 55.95 57.25 1vln s SER 164 Cb 0.00 -1.87 0.02 0.00 0.21 0.00 0.00 66.02 64.38 1vln s SER 164 CO 0.00 0.25 1.15 -2.16 0.41 0.00 0.00 173.24 172.89 1vln s PRO 165 N -0.08 2.47 0.21 12.44 0.04 -1.26 0.13 135.00 148.95 1vln s PRO 165 Ca 0.06 1.55 0.08 0.00 0.04 0.00 0.00 61.00 62.73 1vln s PRO 165 Cb -0.12 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 1vln s PRO 165 CO 0.01 -1.53 0.02 -0.65 0.04 0.00 0.00 177.00 174.89 1vln s GLN 166 N -4.03 2.43 0.57 4.56 -1.52 -0.42 -4.80 119.66 116.44 1vln s GLN 166 Ca 0.70 -1.21 0.04 0.00 -1.95 0.00 0.00 55.36 52.94 1vln s GLN 166 Cb -0.24 -2.31 0.06 0.00 -0.22 0.00 0.00 33.01 30.30 1vln s GLN 166 CO 0.43 0.42 0.79 0.20 -0.25 0.00 0.00 175.29 176.88 1vln s GLY 167 N -3.30 1.82 -1.52 3.09 0.00 -1.26 -4.49 107.32 101.65 1vln s GLY 167 Ca 0.29 -1.66 -0.12 0.00 0.00 0.00 0.00 44.72 43.23 1vln s GLY 167 CO 0.20 -1.29 0.89 1.44 0.00 0.00 0.00 173.10 174.34 1vln n SER 168 N -2.35 -3.92 -4.49 1.64 7.64 -0.29 -4.86 113.62 106.99 1vln n SER 168 Ca 0.11 -0.83 -0.29 0.00 1.01 0.00 0.00 58.87 58.87 1vln n SER 168 Cb 0.60 -3.71 -0.11 0.00 -1.01 0.00 0.00 64.21 59.98 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 -3.49 3.93 -0.12 6.43 0.15 -1.20 -4.95 113.70 114.44 1vln s SER 169 Ca 0.56 -0.54 -0.12 0.00 0.70 0.00 0.00 55.95 56.56 1vln s SER 169 Cb -0.28 -0.57 0.03 0.00 -1.71 0.00 0.00 66.02 63.49 1vln s SER 169 CO 0.85 0.18 0.33 0.68 1.20 0.00 0.00 173.24 176.48 1vln s VAL 170 N -1.14 0.00 0.02 4.45 -7.23 -1.26 -1.22 120.40 114.02 1vln s VAL 170 Ca 0.18 -0.00 -0.28 0.00 -1.81 0.00 0.00 61.98 60.07 1vln s VAL 170 Cb -0.11 -0.47 0.07 0.00 0.56 0.00 0.00 36.38 36.44 1vln s VAL 170 CO 0.10 -0.00 0.68 -0.83 -0.31 0.00 0.00 175.10 174.74 1vln s GLY 171 N 0.17 -0.57 0.18 2.32 0.00 -1.14 -0.51 107.32 107.77 1vln s GLY 171 Ca -0.00 1.04 -0.03 0.00 0.00 0.00 0.00 44.72 45.73 1vln s GLY 171 CO 0.00 0.64 0.16 0.50 0.00 0.00 0.00 173.10 174.41 1vln s ARG 172 N -2.21 1.15 -0.19 2.90 0.52 -0.41 -2.28 118.95 118.43 1vln s ARG 172 Ca -0.05 -1.48 -0.05 0.00 -0.52 0.00 0.00 55.73 53.62 1vln s ARG 172 Cb -0.00 0.29 0.09 0.00 0.52 0.00 0.00 34.95 35.85 1vln s ARG 172 CO 0.00 -0.38 0.33 0.00 0.02 0.00 0.00 175.30 175.28 1vln s ALA 173 N -4.09 -0.84 0.02 2.13 0.00 -0.58 -1.23 121.76 117.16 1vln s ALA 173 Ca 0.30 1.03 0.02 0.00 0.00 0.00 0.00 51.96 53.32 1vln s ALA 173 Cb 0.06 -1.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.84 1vln s ALA 173 CO 0.07 -0.89 -0.01 -0.51 0.00 0.00 0.00 175.76 174.43 1vln s LEU 174 N 2.50 3.47 0.31 0.00 1.02 -0.44 -1.37 118.68 124.16 1vln s LEU 174 Ca 0.04 -0.06 -0.29 0.00 0.02 0.00 0.00 54.13 53.84 1vln s LEU 174 Cb -0.13 -2.03 -0.10 0.00 0.02 0.00 0.00 46.19 43.95 1vln s LEU 174 CO -0.12 0.26 1.17 0.12 0.02 0.00 0.00 176.35 177.79 1vln s PHE 175 N -1.12 3.38 0.27 0.29 5.36 -0.42 -0.61 117.98 125.12 1vln s PHE 175 Ca 0.21 1.60 -0.01 0.00 -0.96 0.00 0.00 56.93 57.77 1vln s PHE 175 Cb -0.11 -3.41 0.52 0.00 -0.34 0.00 0.00 43.02 39.67 1vln s PHE 175 CO 0.12 -1.00 1.79 -0.92 -1.46 0.00 0.00 175.22 173.75 1vln h TYR 176 N 3.57 0.91 -3.08 10.12 5.03 -1.50 -3.44 116.97 128.57 1vln h TYR 176 Ca -0.48 0.03 -0.60 0.00 2.58 0.00 0.00 58.73 60.27 1vln h TYR 176 Cb 1.22 -0.27 -0.05 0.00 1.55 0.00 0.00 36.73 39.18 1vln h TYR 176 CO 0.58 0.30 -0.18 0.00 -1.32 0.00 0.00 178.16 177.53 1vln s ALA 177 N -5.98 3.68 0.81 1.82 0.00 -1.26 -5.04 121.76 115.80 1vln s ALA 177 Ca -0.12 -0.22 -0.11 0.00 0.00 0.00 0.00 51.96 51.51 1vln s ALA 177 Cb 0.21 -2.40 0.08 0.00 0.00 0.00 0.00 23.12 21.02 1vln s ALA 177 CO 0.79 0.49 1.13 -2.14 0.00 0.00 0.00 175.76 176.03 1vln s PRO 178 N -1.35 1.83 -0.07 0.00 0.02 -1.26 -4.82 135.00 129.35 1vln s PRO 178 Ca 0.28 1.40 0.04 0.00 0.02 0.00 0.00 61.00 62.74 1vln s PRO 178 Cb -0.16 -1.83 -0.00 0.00 0.02 0.00 0.00 34.50 32.52 1vln s PRO 178 CO 0.15 -2.00 -0.20 0.08 -0.33 0.00 0.00 177.00 174.70 1vln s VAL 179 N -2.65 1.73 -0.77 3.83 1.01 0.67 -4.94 120.40 119.27 1vln s VAL 179 Ca 0.65 -0.86 -0.22 0.00 0.00 0.00 0.00 61.98 61.56 1vln s VAL 179 Cb -0.21 -1.49 0.09 0.00 0.00 0.00 0.00 36.38 34.77 1vln s VAL 179 CO 0.54 0.49 1.07 -2.28 0.00 0.00 0.00 175.10 174.91 1vln s HIS 180 N 0.16 2.78 0.16 5.22 2.46 -1.26 -1.33 115.29 123.48 1vln s HIS 180 Ca -0.10 -0.81 0.00 0.00 0.47 0.00 0.00 55.06 54.63 1vln s HIS 180 Cb -0.15 -4.34 -0.02 0.00 -0.13 0.00 0.00 32.58 27.95 1vln s HIS 180 CO 0.05 -1.64 1.36 0.97 -2.47 0.00 0.00 174.74 173.01 1vln h ILE 181 N 6.00 1.46 -3.76 0.89 6.09 -1.68 -3.47 117.51 123.04 1vln h ILE 181 Ca -0.11 -2.53 -0.09 0.00 -1.37 0.00 0.00 64.86 60.76 1vln h ILE 181 Cb 1.05 2.42 -0.12 0.00 0.47 0.00 0.00 36.82 40.64 1vln h ILE 181 CO 1.18 0.74 -0.25 -1.66 -3.07 0.00 0.00 178.15 175.10 1vln s TRP 182 N -3.26 0.29 -0.28 2.19 1.48 -1.25 -4.82 118.94 113.30 1vln s TRP 182 Ca -0.04 -0.65 -0.22 0.00 -1.06 0.00 0.00 56.10 54.14 1vln s TRP 182 Cb 0.10 0.04 0.09 0.00 -1.16 0.00 0.00 33.47 32.53 1vln s TRP 182 CO 0.84 -0.76 0.77 -2.00 -4.06 0.00 0.00 176.95 171.74 1vln s GLU 183 N -3.95 0.72 0.53 3.25 2.12 -1.26 -4.82 118.70 115.30 1vln s GLU 183 Ca 0.15 0.99 0.25 0.00 0.36 0.00 0.00 54.97 56.73 1vln s GLU 183 Cb 0.02 0.28 1.48 0.00 0.26 0.00 0.00 34.13 36.17 1vln s GLU 183 CO -0.01 -0.11 2.12 0.77 -0.54 0.00 0.00 175.26 177.50 1vln h SER 184 N 5.58 0.00 -0.25 -1.70 0.02 -2.02 -2.47 113.55 112.72 1vln h SER 184 Ca -0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1vln h SER 184 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1vln h SER 184 CO 0.10 0.09 0.00 -1.54 -1.14 0.00 0.00 176.83 174.34 1vln n SER 185 N -3.88 1.50 -4.80 3.07 3.41 -1.26 -4.90 113.62 106.76 1vln n SER 185 Ca -0.02 -1.90 -0.39 0.00 -0.26 0.00 0.00 58.87 56.30 1vln n SER 185 Cb 0.18 -0.16 -0.06 0.00 -0.26 0.00 0.00 64.21 63.91 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 -1.67 3.50 -0.17 7.33 0.00 -0.93 -0.89 121.76 128.93 1vln s ALA 186 Ca 0.23 0.21 -0.25 0.00 0.00 0.00 0.00 51.96 52.15 1vln s ALA 186 Cb 0.12 -2.81 -0.23 0.00 0.00 0.00 0.00 23.12 20.20 1vln s ALA 186 CO 0.17 0.34 0.51 0.28 0.00 0.00 0.00 175.76 177.06 1vln h VAL 187 N 3.33 1.36 -3.94 0.00 2.07 -0.35 -3.48 116.25 115.24 1vln h VAL 187 Ca -0.48 -2.27 -0.26 0.00 0.82 0.00 0.00 66.70 64.51 1vln h VAL 187 Cb 1.21 2.83 -0.23 0.00 -1.52 0.00 0.00 31.29 33.58 1vln h VAL 187 CO 0.65 0.48 -0.73 -0.69 0.02 0.00 0.00 177.57 177.30 1vln s VAL 188 N -2.30 0.39 -0.06 2.57 1.01 -1.22 -4.85 120.40 115.94 1vln s VAL 188 Ca -0.23 -0.83 -0.09 0.00 0.00 0.00 0.00 61.98 60.82 1vln s VAL 188 Cb 0.01 -0.45 0.02 0.00 0.00 0.00 0.00 36.38 35.96 1vln s VAL 188 CO 0.65 -0.30 0.23 0.00 0.00 0.00 0.00 175.10 175.68 1vln s ALA 189 N -1.10 -0.57 0.11 5.51 0.00 -1.26 -1.53 121.76 122.91 1vln s ALA 189 Ca -0.09 0.46 -0.25 0.00 0.00 0.00 0.00 51.96 52.09 1vln s ALA 189 Cb -0.08 -0.22 0.08 0.00 0.00 0.00 0.00 23.12 22.90 1vln s ALA 189 CO -0.00 -0.15 0.69 -1.54 0.00 0.00 0.00 175.76 174.76 1vln s SER 190 N -0.39 -0.51 0.04 0.00 1.04 -0.92 -0.48 113.70 112.49 1vln s SER 190 Ca -0.05 0.01 -0.12 0.00 0.48 0.00 0.00 55.95 56.27 1vln s SER 190 Cb -0.03 0.53 0.01 0.00 0.10 0.00 0.00 66.02 66.63 1vln s SER 190 CO 0.01 -0.86 0.25 0.72 0.98 0.00 0.00 173.24 174.35 1vln s PHE 191 N -3.52 -0.03 -0.01 5.02 -0.12 -0.61 -1.54 117.98 117.17 1vln s PHE 191 Ca 0.02 -0.14 0.00 0.00 -0.05 0.00 0.00 56.93 56.76 1vln s PHE 191 Cb -0.01 0.04 0.02 0.00 -0.63 0.00 0.00 43.02 42.43 1vln s PHE 191 CO -0.11 -0.47 0.02 -2.00 -0.05 0.00 0.00 175.22 172.61 1vln s GLU 192 N -2.52 -0.01 0.03 1.99 2.12 -0.70 -1.98 118.70 117.62 1vln s GLU 192 Ca -0.05 0.11 0.03 0.00 0.36 0.00 0.00 54.97 55.41 1vln s GLU 192 Cb -0.01 -0.16 -0.02 0.00 0.26 0.00 0.00 34.13 34.21 1vln s GLU 192 CO -0.03 -0.10 -0.09 0.00 -0.54 0.00 0.00 175.26 174.50 1vln s ALA 193 N 0.63 0.74 -0.13 6.30 0.00 -0.39 -1.82 121.76 127.10 1vln s ALA 193 Ca -0.05 -0.61 -0.10 0.00 0.00 0.00 0.00 51.96 51.19 1vln s ALA 193 Cb -0.08 -0.09 0.04 0.00 0.00 0.00 0.00 23.12 22.99 1vln s ALA 193 CO -0.02 0.11 0.33 0.99 0.00 0.00 0.00 175.76 177.17 1vln s THR 194 N -0.79 -0.01 -0.06 0.00 2.01 -0.68 -1.23 115.64 114.88 1vln s THR 194 Ca -0.02 0.03 -0.17 0.00 0.31 0.00 0.00 61.69 61.84 1vln s THR 194 Cb -0.07 -0.47 0.03 0.00 0.01 0.00 0.00 72.50 72.01 1vln s THR 194 CO 0.00 0.01 0.39 0.72 -0.69 0.00 0.00 174.62 175.06 1vln s PHE 195 N 0.48 -0.33 -0.00 4.92 -0.71 -1.00 -0.61 117.98 120.74 1vln s PHE 195 Ca -0.02 0.63 0.02 0.00 -1.04 0.00 0.00 56.93 56.52 1vln s PHE 195 Cb -0.04 0.15 -0.03 0.00 -1.21 0.00 0.00 43.02 41.89 1vln s PHE 195 CO -0.02 -0.37 -0.04 0.95 -1.34 0.00 0.00 175.22 174.40 1vln s THR 196 N -0.84 3.85 0.18 -4.49 -4.23 -1.03 -1.37 115.64 107.72 1vln s THR 196 Ca -0.09 -0.69 0.00 0.00 -1.18 0.00 0.00 61.69 59.74 1vln s THR 196 Cb -0.04 -2.69 -0.04 0.00 1.34 0.00 0.00 72.50 71.07 1vln s THR 196 CO 0.04 0.40 0.06 0.72 -0.54 0.00 0.00 174.62 175.30 1vln s PHE 197 N -1.02 1.17 -0.16 3.99 -0.12 -0.82 -1.31 117.98 119.70 1vln s PHE 197 Ca 0.18 -1.17 -0.05 0.00 -0.05 0.00 0.00 56.93 55.84 1vln s PHE 197 Cb -0.11 -0.65 0.06 0.00 -0.63 0.00 0.00 43.02 41.69 1vln s PHE 197 CO 0.08 -0.39 0.10 -1.17 -0.05 0.00 0.00 175.22 173.79 1vln s LEU 198 N -3.16 0.27 -0.25 -1.99 0.20 0.30 -1.32 118.68 112.74 1vln s LEU 198 Ca 0.29 -0.49 -0.03 0.00 0.69 0.00 0.00 54.13 54.59 1vln s LEU 198 Cb 0.07 -0.17 0.01 0.00 -0.43 0.00 0.00 46.19 45.67 1vln s LEU 198 CO 0.07 -0.34 -0.03 -0.63 -0.29 0.00 0.00 176.35 175.13 1vln s ILE 199 N 2.16 3.25 0.03 6.68 1.01 -1.25 -2.52 121.20 130.55 1vln s ILE 199 Ca 0.03 -0.77 0.06 0.00 0.00 0.00 0.00 60.65 59.96 1vln s ILE 199 Cb -0.15 -2.59 -0.02 0.00 0.01 0.00 0.00 42.46 39.70 1vln s ILE 199 CO -0.09 0.26 -0.17 -0.54 0.00 0.00 0.00 174.94 174.41 1vln s LYS 200 N 1.41 1.18 -0.07 2.79 1.02 -1.25 0.15 119.74 124.97 1vln s LYS 200 Ca 0.03 -0.76 -0.04 0.00 0.02 0.00 0.00 55.97 55.21 1vln s LYS 200 Cb -0.16 -1.21 0.03 0.00 -0.52 0.00 0.00 37.83 35.97 1vln s LYS 200 CO -0.03 0.31 0.17 0.45 -0.92 0.00 0.00 175.35 175.33 1vln s SER 201 N -0.93 -0.16 0.00 2.83 0.15 -1.26 -0.78 113.70 113.55 1vln s SER 201 Ca 0.05 0.35 0.25 0.00 0.70 0.00 0.00 55.95 57.30 1vln s SER 201 Cb -0.08 0.29 0.53 0.00 -1.71 0.00 0.00 66.02 65.05 1vln s SER 201 CO 0.01 -0.11 1.42 -0.81 1.20 0.00 0.00 173.24 174.95 1vln n PRO 202 N 3.66 0.43 -1.65 5.44 -0.04 -1.26 -4.94 135.00 136.63 1vln n PRO 202 Ca -0.20 -0.27 -0.29 0.00 -0.04 0.00 0.00 63.50 62.70 1vln n PRO 202 Cb 0.55 -1.49 0.13 0.00 -0.04 0.00 0.00 33.50 32.65 1vln n PRO 202 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1vln s ASP 203 N -2.76 3.67 0.46 3.54 1.11 -1.26 -4.96 116.67 116.47 1vln s ASP 203 Ca 0.17 0.85 0.26 0.00 0.18 0.00 0.00 52.55 54.01 1vln s ASP 203 Cb 0.18 -1.34 0.87 0.00 1.07 0.00 0.00 42.92 43.70 1vln s ASP 203 CO 0.63 -2.44 1.80 0.77 1.18 0.00 0.00 175.17 177.11 1vln h SER 204 N -1.42 0.00 -3.51 0.27 4.64 -1.96 -3.43 113.55 108.15 1vln h SER 204 Ca -0.49 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.72 1vln h SER 204 Cb 1.32 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.16 1vln h SER 204 CO 0.60 0.13 -0.25 -1.00 -0.87 0.00 0.00 176.83 175.44 1vln s HIS 205 N -3.50 -0.56 0.49 4.77 3.76 -1.26 -5.17 115.29 113.81 1vln s HIS 205 Ca 0.02 1.25 -0.15 0.00 -0.15 0.00 0.00 55.06 56.03 1vln s HIS 205 Cb 0.08 0.23 -0.08 0.00 1.11 0.00 0.00 32.58 33.93 1vln s HIS 205 CO 0.62 -0.30 0.94 -2.14 -0.85 0.00 0.00 174.74 173.01 1vln s PRO 206 N 0.90 3.92 -0.18 8.40 0.02 -1.26 -4.31 135.00 142.49 1vln s PRO 206 Ca -0.05 0.86 -0.28 0.00 0.02 0.00 0.00 61.00 61.54 1vln s PRO 206 Cb -0.06 -2.19 0.09 0.00 0.02 0.00 0.00 34.50 32.36 1vln s PRO 206 CO -0.07 -0.21 0.84 0.00 -0.33 0.00 0.00 177.00 177.23 1vln s ALA 207 N -2.55 -1.85 -0.00 -1.55 0.00 -1.23 -4.19 121.76 110.38 1vln s ALA 207 Ca 0.57 1.68 0.00 0.00 0.00 0.00 0.00 51.96 54.21 1vln s ALA 207 Cb -0.10 -0.77 -0.01 0.00 0.00 0.00 0.00 23.12 22.25 1vln s ALA 207 CO 0.31 -0.32 0.01 -0.25 0.00 0.00 0.00 175.76 175.51 1vln n ASP 208 N 1.58 4.89 0.00 0.00 8.00 -0.12 -2.96 116.55 127.94 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 0.56 1.01 0.00 0.00 -0.02 0.00 0.00 41.12 42.68 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 2.48 1.99 3.38 0.44 0.00 -1.25 -2.60 105.19 109.63 1vln n GLY 209 Ca -0.00 -1.83 -0.26 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.48 2.15 -0.03 -0.61 1.01 -0.27 -3.14 121.20 118.83 1vln s ILE 210 Ca 0.00 -1.84 -0.01 0.00 0.00 0.00 0.00 60.65 58.79 1vln s ILE 210 Cb 0.00 -1.95 0.02 0.00 0.01 0.00 0.00 42.46 40.54 1vln s ILE 210 CO 0.00 -0.06 0.06 0.00 0.00 0.00 0.00 174.94 174.94 1vln s ALA 211 N -1.42 -0.08 -0.16 9.38 0.00 0.30 0.05 121.76 129.82 1vln s ALA 211 Ca 0.15 0.29 -0.17 0.00 0.00 0.00 0.00 51.96 52.24 1vln s ALA 211 Cb -0.09 -0.21 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 1vln s ALA 211 CO 0.07 -0.08 0.45 0.12 0.00 0.00 0.00 175.76 176.32 1vln s PHE 212 N 0.58 3.45 0.19 0.00 5.36 -0.50 -1.00 117.98 126.06 1vln s PHE 212 Ca -0.05 0.77 0.02 0.00 -0.96 0.00 0.00 56.93 56.72 1vln s PHE 212 Cb -0.07 -2.55 -0.05 0.00 -0.34 0.00 0.00 43.02 40.02 1vln s PHE 212 CO -0.02 0.08 0.02 -0.59 -1.46 0.00 0.00 175.22 173.25 1vln s PHE 213 N 0.96 1.28 -0.03 10.12 -0.71 -0.56 -1.34 117.98 127.70 1vln s PHE 213 Ca 0.23 -1.04 0.03 0.00 -1.04 0.00 0.00 56.93 55.11 1vln s PHE 213 Cb -0.15 -0.73 0.00 0.00 -1.21 0.00 0.00 43.02 40.93 1vln s PHE 213 CO 0.09 -0.22 -0.11 0.42 -1.34 0.00 0.00 175.22 174.06 1vln s ILE 214 N -3.66 0.92 0.34 -4.49 1.01 -0.55 -1.53 121.20 113.25 1vln s ILE 214 Ca 0.26 -0.44 -0.03 0.00 0.00 0.00 0.00 60.65 60.44 1vln s ILE 214 Cb 0.06 -0.81 0.00 0.00 0.01 0.00 0.00 42.46 41.72 1vln s ILE 214 CO 0.06 0.28 0.48 -0.94 0.00 0.00 0.00 174.94 174.82 1vln s SER 215 N 0.15 0.85 0.50 3.58 1.04 0.03 -2.29 113.70 117.57 1vln s SER 215 Ca -0.03 -1.46 -0.22 0.00 0.48 0.00 0.00 55.95 54.73 1vln s SER 215 Cb -0.09 0.67 -0.06 0.00 0.10 0.00 0.00 66.02 66.63 1vln s SER 215 CO 0.01 -1.30 1.18 0.54 0.98 0.00 0.00 173.24 174.65 1vln s ASN 216 N -3.22 5.86 0.23 7.02 4.22 -1.22 -0.32 114.94 127.51 1vln s ASN 216 Ca 0.30 2.34 -0.13 0.00 -2.14 0.00 0.00 52.86 53.22 1vln s ASN 216 Cb -0.01 -2.60 0.29 0.00 1.28 0.00 0.00 41.25 40.21 1vln s ASN 216 CO 0.20 -1.13 1.59 0.40 -2.04 0.00 0.00 177.10 176.11 1vln h ILE 217 N 1.56 0.17 -0.25 0.54 5.03 -1.84 -2.37 117.51 120.35 1vln h ILE 217 Ca -0.50 0.00 -0.10 0.00 -0.12 0.00 0.00 64.86 64.14 1vln h ILE 217 Cb 1.26 0.17 -0.06 0.00 -3.03 0.00 0.00 36.82 35.16 1vln h ILE 217 CO 0.59 0.00 0.13 -0.90 -0.68 0.00 0.00 178.15 177.28 1vln n ASP 218 N -5.50 2.94 -4.77 1.72 5.75 -1.26 -4.86 116.55 110.57 1vln n ASP 218 Ca 0.10 -2.40 -0.36 0.00 -0.01 0.00 0.00 54.79 52.12 1vln n ASP 218 Cb 0.40 -0.58 0.01 0.00 -1.03 0.00 0.00 41.12 39.91 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 0.15 5.73 0.21 -1.12 0.15 -0.89 -5.05 113.70 112.88 1vln s SER 219 Ca 0.16 2.33 -0.11 0.00 0.70 0.00 0.00 55.95 59.03 1vln s SER 219 Cb 0.13 -2.60 -0.01 0.00 -1.71 0.00 0.00 66.02 61.84 1vln s SER 219 CO 0.04 -1.22 0.39 -0.94 1.20 0.00 0.00 173.24 172.70 1vln s SER 220 N -1.50 -0.04 0.04 5.45 1.04 -1.26 -5.09 113.70 112.34 1vln s SER 220 Ca 0.70 -0.92 -0.30 0.00 0.48 0.00 0.00 55.95 55.91 1vln s SER 220 Cb -0.29 0.52 -0.08 0.00 0.10 0.00 0.00 66.02 66.28 1vln s SER 220 CO 0.33 -1.03 1.63 -0.63 0.98 0.00 0.00 173.24 174.52 1vln s ILE 221 N -4.01 3.20 0.28 -1.02 1.01 -1.26 -4.99 121.20 114.42 1vln s ILE 221 Ca 0.22 0.58 -0.29 0.00 0.00 0.00 0.00 60.65 61.16 1vln s ILE 221 Cb 0.01 -3.38 -0.10 0.00 0.01 0.00 0.00 42.46 39.01 1vln s ILE 221 CO 0.06 -0.01 1.21 -2.84 0.00 0.00 0.00 174.94 173.36 1vln s PRO 222 N 2.86 4.49 0.31 2.79 0.02 -1.26 -4.94 135.00 139.27 1vln s PRO 222 Ca 0.73 1.99 -0.29 0.00 0.02 0.00 0.00 61.00 63.45 1vln s PRO 222 Cb -0.38 -3.15 -0.11 0.00 0.02 0.00 0.00 34.50 30.88 1vln s PRO 222 CO 0.31 -0.02 1.55 -1.12 -0.33 0.00 0.00 177.00 177.39 1vln s SER 223 N -0.48 6.40 -0.51 2.53 0.01 -1.26 -2.21 113.70 118.18 1vln s SER 223 Ca 0.48 2.94 0.00 0.00 1.31 0.00 0.00 55.95 60.69 1vln s SER 223 Cb -0.35 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.23 1vln s SER 223 CO 0.45 -0.87 0.00 0.61 0.41 0.00 0.00 173.24 173.83 1vln n GLY 224 N 1.72 0.74 1.69 3.44 0.00 -1.26 -4.92 105.19 106.60 1vln n GLY 224 Ca 0.06 -0.55 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 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 0.61 4.50 -3.73 1.61 3.41 -0.94 -4.88 113.62 114.20 1vln n SER 225 Ca -0.05 -2.86 -0.27 0.00 -0.26 0.00 0.00 58.87 55.42 1vln n SER 225 Cb 0.20 -0.81 0.20 0.00 -0.26 0.00 0.00 64.21 63.54 1vln n SER 225 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1vln n THR 226 N -0.04 0.00 -2.10 6.66 -2.24 -1.26 -0.47 114.28 114.84 1vln n THR 226 Ca 0.29 -0.85 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 1vln n THR 226 Cb 0.88 -1.51 0.00 0.00 -2.10 0.00 0.00 70.33 67.60 1vln n THR 226 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vln n GLY 227 N -3.22 3.24 0.20 3.38 0.00 0.64 -3.12 105.19 106.31 1vln n GLY 227 Ca 0.15 -0.21 0.14 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.00 1.61 0.11 -1.88 -2.62 114.38 111.59 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 -0.07 1.28 0.10 0.00 0.00 179.97 181.28 1vln n LEU 229 N -2.46 0.54 -1.88 0.08 4.77 -1.18 -4.94 117.00 111.92 1vln n LEU 229 Ca -0.01 -0.08 -0.13 0.00 -0.03 0.00 0.00 56.01 55.77 1vln n LEU 229 Cb 0.08 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.02 1vln n LEU 229 CO 0.14 0.10 -0.14 0.18 -1.33 0.00 0.00 177.39 176.34 1vln n LEU 230 N -0.78 -1.04 0.00 2.23 4.32 -0.99 -1.71 117.00 119.03 1vln n LEU 230 Ca 0.17 0.25 0.00 0.00 -0.02 0.00 0.00 56.01 56.41 1vln n LEU 230 Cb 0.26 -2.04 0.00 0.00 -1.62 0.00 0.00 43.42 40.01 1vln n LEU 230 CO 0.21 -0.40 0.00 0.61 -1.22 0.00 0.00 177.39 176.59 1vln n GLY 231 N -0.51 0.32 0.04 -0.72 0.00 0.38 -4.16 105.19 100.54 1vln n GLY 231 Ca -0.14 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 0.82 -4.49 0.99 4.77 -0.70 -4.42 117.00 113.98 1vln n LEU 232 Ca 0.00 -0.01 -0.26 0.00 -0.03 0.00 0.00 56.01 55.71 1vln n LEU 232 Cb 0.18 0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.21 1vln n LEU 232 CO 0.00 0.30 -0.48 -0.36 -1.33 0.00 0.00 177.39 175.53 1vln s PHE 233 N -2.17 2.42 -0.05 -1.77 0.08 -1.13 -4.85 117.98 110.50 1vln s PHE 233 Ca -0.06 -0.31 -0.17 0.00 0.12 0.00 0.00 56.93 56.52 1vln s PHE 233 Cb 0.02 -1.16 -0.31 0.00 -0.57 0.00 0.00 43.02 41.01 1vln s PHE 233 CO 0.26 0.55 0.77 -1.35 -0.10 0.00 0.00 175.22 175.35 1vln h PRO 234 N 2.88 0.35 0.00 0.24 0.11 -1.91 -3.42 132.00 130.25 1vln h PRO 234 Ca -0.45 -0.59 -0.48 0.00 0.11 0.00 0.00 66.00 64.59 1vln h PRO 234 Cb 1.22 0.22 -0.11 0.00 0.11 0.00 0.00 31.00 32.44 1vln h PRO 234 CO 0.52 1.28 -0.41 -0.40 -0.21 0.00 0.00 178.00 178.79 1vln n ASP 235 N -3.89 0.79 -1.81 -2.05 5.68 -1.26 -4.89 116.55 109.11 1vln n ASP 235 Ca -0.20 -2.92 -0.00 0.00 -0.50 0.00 0.00 54.79 51.16 1vln n ASP 235 Cb 0.95 1.04 0.33 0.00 -1.14 0.00 0.00 41.12 42.29 1vln n ASP 235 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1vln n ALA 236 N -1.22 4.19 1.63 2.12 0.00 -1.26 -4.81 120.51 121.15 1vln n ALA 236 Ca -0.13 -2.26 0.13 0.00 0.00 0.00 0.00 53.44 51.18 1vln n ALA 236 Cb 0.54 -1.13 0.77 0.00 0.00 0.00 0.00 19.45 19.64 1vln n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59