#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vln s ASP 2 N 0.00 5.71 -0.20 0.00 1.01 -1.26 -5.09 116.67 116.84 1vln s ASP 2 Ca 0.00 0.06 -0.02 0.00 0.71 0.00 0.00 52.55 53.30 1vln s ASP 2 Cb 0.00 -1.24 -0.00 0.00 1.01 0.00 0.00 42.92 42.69 1vln s ASP 2 CO 0.00 -0.76 -0.09 -0.89 0.21 0.00 0.00 175.17 173.64 1vln s THR 3 N -2.51 3.00 -0.09 -1.27 2.01 -1.26 -5.04 115.64 110.48 1vln s THR 3 Ca 0.50 -0.62 0.03 0.00 0.31 0.00 0.00 61.69 61.92 1vln s THR 3 Cb -0.10 -2.34 0.00 0.00 0.01 0.00 0.00 72.50 70.08 1vln s THR 3 CO 0.36 0.46 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.92 1vln s ILE 4 N 1.37 1.73 -0.13 1.82 -1.09 -1.26 -3.73 121.20 119.91 1vln s ILE 4 Ca 0.05 -0.83 0.02 0.00 -2.23 0.00 0.00 60.65 57.66 1vln s ILE 4 Cb -0.14 -1.51 0.01 0.00 -1.58 0.00 0.00 42.46 39.24 1vln s ILE 4 CO -0.05 0.49 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.27 1vln s VAL 5 N 0.43 1.78 0.11 2.92 1.01 -0.97 -0.43 120.40 125.25 1vln s VAL 5 Ca -0.17 -0.80 -0.06 0.00 0.00 0.00 0.00 61.98 60.95 1vln s VAL 5 Cb -0.17 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.59 1vln s VAL 5 CO 0.07 0.50 0.15 0.00 0.00 0.00 0.00 175.10 175.82 1vln s ALA 6 N 1.00 0.12 -0.29 5.51 0.00 0.36 -0.99 121.76 127.48 1vln s ALA 6 Ca -0.04 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 51.02 1vln s ALA 6 Cb -0.15 0.60 0.08 0.00 0.00 0.00 0.00 23.12 23.65 1vln s ALA 6 CO -0.04 -0.52 -0.02 0.08 0.00 0.00 0.00 175.76 175.27 1vln s VAL 7 N -3.93 1.90 -0.03 0.00 1.01 -0.40 -0.22 120.40 118.74 1vln s VAL 7 Ca 0.11 -1.75 -0.17 0.00 0.00 0.00 0.00 61.98 60.17 1vln s VAL 7 Cb 0.05 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.15 1vln s VAL 7 CO -0.06 -0.32 0.47 -1.83 0.00 0.00 0.00 175.10 173.36 1vln s GLU 8 N 1.17 4.14 -0.73 2.72 -1.05 -0.54 -1.43 118.70 122.98 1vln s GLU 8 Ca 0.01 0.49 -0.08 0.00 -0.15 0.00 0.00 54.97 55.24 1vln s GLU 8 Cb -0.19 -3.31 0.19 0.00 -0.44 0.00 0.00 34.13 30.38 1vln s GLU 8 CO -0.09 0.48 0.60 -0.51 0.95 0.00 0.00 175.26 176.70 1vln s LEU 9 N -0.44 5.97 -0.47 1.83 1.02 0.84 -1.73 118.68 125.69 1vln s LEU 9 Ca 0.26 -2.81 -0.23 0.00 0.02 0.00 0.00 54.13 51.37 1vln s LEU 9 Cb -0.17 -2.02 0.03 0.00 0.02 0.00 0.00 46.19 44.05 1vln s LEU 9 CO 0.13 -0.46 0.80 -0.62 0.02 0.00 0.00 176.35 176.22 1vln s ASP 10 N 1.35 6.38 0.09 2.29 -1.08 0.72 -2.31 116.67 124.11 1vln s ASP 10 Ca 0.18 -0.23 0.03 0.00 -0.52 0.00 0.00 52.55 52.01 1vln s ASP 10 Cb -0.15 -2.39 -0.24 0.00 -1.46 0.00 0.00 42.92 38.68 1vln s ASP 10 CO -0.06 -0.97 1.17 0.71 0.52 0.00 0.00 175.17 176.54 1vln h THR 11 N 5.98 1.56 -3.43 1.71 1.35 -1.49 -1.04 112.91 117.54 1vln h THR 11 Ca -0.25 -3.22 -0.64 0.00 -0.55 0.00 0.00 66.41 61.74 1vln h THR 11 Cb 1.08 2.85 -0.23 0.00 -1.73 0.00 0.00 68.15 70.13 1vln h THR 11 CO 0.98 0.91 -0.66 -0.47 -0.25 0.00 0.00 175.52 176.04 1vln s TYR 12 N -2.68 3.04 -0.51 4.73 5.04 -1.23 -4.42 117.35 121.32 1vln s TYR 12 Ca -0.02 -0.45 -0.29 0.00 -2.44 0.00 0.00 57.07 53.88 1vln s TYR 12 Cb 0.09 -2.09 0.03 0.00 0.35 0.00 0.00 41.96 40.34 1vln s TYR 12 CO 0.84 -0.24 1.15 -1.25 -1.34 0.00 0.00 175.55 174.72 1vln s PRO 13 N 1.01 3.64 -0.84 4.97 0.04 -1.26 -4.96 135.00 137.60 1vln s PRO 13 Ca 0.02 0.44 -0.08 0.00 0.04 0.00 0.00 61.00 61.42 1vln s PRO 13 Cb -0.14 -3.95 0.21 0.00 0.04 0.00 0.00 34.50 30.67 1vln s PRO 13 CO 0.02 -1.48 0.75 -0.80 0.04 0.00 0.00 177.00 175.52 1vln s ASN 14 N 2.63 6.30 0.51 6.66 -0.87 -1.26 -4.92 114.94 123.98 1vln s ASN 14 Ca 0.46 -3.11 0.21 0.00 -1.57 0.00 0.00 52.86 48.85 1vln s ASN 14 Cb -0.07 -2.05 1.34 0.00 -0.02 0.00 0.00 41.25 40.44 1vln s ASN 14 CO 0.30 -0.39 2.09 0.71 -2.57 0.00 0.00 177.10 177.24 1vln h THR 15 N 4.56 0.83 0.00 1.60 1.35 -1.84 -1.61 112.91 117.80 1vln h THR 15 Ca 0.10 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 1vln h THR 15 Cb 0.94 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 1vln h THR 15 CO 0.81 0.10 0.00 -2.24 -0.25 0.00 0.00 175.52 173.94 1vln h ASP 16 N 0.00 0.00 0.00 5.36 2.03 -1.91 -2.55 116.42 119.35 1vln h ASP 16 Ca -0.00 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.29 1vln h ASP 16 Cb 0.21 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.70 1vln h ASP 16 CO 0.01 0.00 -0.37 2.30 -1.03 0.00 0.00 179.24 180.15 1vln n ILE 17 N -2.38 2.00 -0.20 4.15 -5.35 -1.10 -4.98 119.36 111.50 1vln n ILE 17 Ca 0.01 -2.83 0.00 0.00 -0.27 0.00 0.00 62.75 59.66 1vln n ILE 17 Cb 0.20 -0.18 0.00 0.00 -1.74 0.00 0.00 39.64 37.92 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 -1.14 0.91 3.75 3.28 0.00 -0.96 -4.77 105.19 106.26 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 0.99 0.00 0.00 0.00 173.32 174.31 1vln s ASP 19 N -2.88 6.62 1.15 1.61 1.11 -0.62 -4.95 116.67 118.70 1vln s ASP 19 Ca 0.00 2.70 -0.13 0.00 0.18 0.00 0.00 52.55 55.31 1vln s ASP 19 Cb 0.00 -2.63 0.28 0.00 1.07 0.00 0.00 42.92 41.64 1vln s ASP 19 CO 0.00 -0.72 1.03 -2.16 1.18 0.00 0.00 175.17 174.50 1vln s PRO 20 N -0.45 -0.81 -0.19 8.23 0.04 -1.26 -3.98 135.00 136.58 1vln s PRO 20 Ca 0.59 0.82 -0.03 0.00 0.04 0.00 0.00 61.00 62.42 1vln s PRO 20 Cb -0.42 -1.57 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 1vln s PRO 20 CO 0.44 -3.65 2.79 -1.13 0.04 0.00 0.00 177.00 175.50 1vln n SER 21 N -4.86 5.85 -3.62 6.66 3.41 -1.26 -4.57 113.62 115.24 1vln n SER 21 Ca 0.03 -2.79 -0.00 0.00 -0.26 0.00 0.00 58.87 55.85 1vln n SER 21 Cb 0.54 -1.25 -0.01 0.00 -0.26 0.00 0.00 64.21 63.24 1vln n SER 21 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1vln s TYR 22 N -0.49 -0.07 0.34 7.33 -0.85 -1.26 -5.00 117.35 117.34 1vln s TYR 22 Ca 0.46 -0.03 -0.29 0.00 -0.52 0.00 0.00 57.07 56.70 1vln s TYR 22 Cb 0.27 0.54 -0.11 0.00 0.38 0.00 0.00 41.96 43.04 1vln s TYR 22 CO -0.07 -0.29 1.55 -2.30 -1.52 0.00 0.00 175.55 172.93 1vln n PRO 23 N -0.38 2.73 -4.05 -3.49 -0.02 -1.26 -4.59 135.00 123.95 1vln n PRO 23 Ca -0.06 0.96 -0.12 0.00 -2.02 0.00 0.00 63.50 62.26 1vln n PRO 23 Cb 0.61 -2.73 -0.04 0.00 -0.02 0.00 0.00 33.50 31.32 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 -0.60 0.77 -0.02 6.00 -3.43 -0.39 -1.85 115.29 115.76 1vln s HIS 24 Ca 0.58 -1.07 0.06 0.00 -0.80 0.00 0.00 55.06 53.82 1vln s HIS 24 Cb -0.48 0.04 -0.01 0.00 -1.43 0.00 0.00 32.58 30.71 1vln s HIS 24 CO 0.57 -1.09 -0.19 0.96 -2.00 0.00 0.00 174.74 172.98 1vln s ILE 25 N -3.39 1.56 0.11 -5.38 -4.36 -0.58 -0.20 121.20 108.96 1vln s ILE 25 Ca 0.27 -0.83 -0.09 0.00 -0.26 0.00 0.00 60.65 59.74 1vln s ILE 25 Cb -0.00 -1.31 -0.00 0.00 1.25 0.00 0.00 42.46 42.40 1vln s ILE 25 CO 0.15 0.44 0.22 -0.83 0.24 0.00 0.00 174.94 175.17 1vln s GLY 26 N -0.34 0.21 -0.27 6.27 0.00 -0.71 -0.70 107.32 111.79 1vln s GLY 26 Ca 0.05 -0.69 -0.12 0.00 0.00 0.00 0.00 44.72 43.95 1vln s GLY 26 CO 0.00 -0.81 0.23 -0.42 0.00 0.00 0.00 173.10 172.11 1vln s ILE 27 N -3.89 5.28 -0.15 0.90 -1.09 -0.37 -1.46 121.20 120.42 1vln s ILE 27 Ca 0.09 0.28 -0.01 0.00 -2.23 0.00 0.00 60.65 58.78 1vln s ILE 27 Cb 0.04 -3.57 -0.01 0.00 -1.58 0.00 0.00 42.46 37.34 1vln s ILE 27 CO -0.07 0.25 -0.11 -1.81 -1.23 0.00 0.00 174.94 171.96 1vln s ASP 28 N 1.59 4.11 -0.32 3.58 1.01 0.70 -0.60 116.67 126.73 1vln s ASP 28 Ca 0.09 -0.33 0.02 0.00 0.71 0.00 0.00 52.55 53.05 1vln s ASP 28 Cb -0.15 -1.64 0.10 0.00 1.01 0.00 0.00 42.92 42.23 1vln s ASP 28 CO 0.10 0.13 0.06 -0.63 0.21 0.00 0.00 175.17 175.04 1vln s ILE 29 N 0.55 1.69 0.00 0.77 -1.09 -1.26 -0.48 121.20 121.37 1vln s ILE 29 Ca -0.07 -1.91 0.00 0.00 -2.23 0.00 0.00 60.65 56.44 1vln s ILE 29 Cb -0.15 -2.24 0.00 0.00 -1.58 0.00 0.00 42.46 38.49 1vln s ILE 29 CO 0.03 -0.59 0.00 0.29 -1.23 0.00 0.00 174.94 173.44 1vln n LYS 30 N 4.51 -0.92 -3.74 2.79 5.02 0.43 -4.91 118.16 121.33 1vln n LYS 30 Ca 0.01 0.23 -0.13 0.00 -2.02 0.00 0.00 58.31 56.39 1vln n LYS 30 Cb 0.42 -4.55 -0.08 0.00 -0.02 0.00 0.00 35.03 30.80 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 -2.05 -0.22 0.04 4.39 0.15 -1.26 -4.94 113.70 109.81 1vln s SER 31 Ca 0.00 0.10 0.23 0.00 0.70 0.00 0.00 55.95 56.98 1vln s SER 31 Cb 0.00 0.33 0.95 0.00 -1.71 0.00 0.00 66.02 65.59 1vln s SER 31 CO 0.00 -0.48 1.73 0.55 1.20 0.00 0.00 173.24 176.24 1vln n VAL 32 N 1.17 0.50 -3.03 4.45 3.14 -1.26 -4.39 118.33 118.91 1vln n VAL 32 Ca -0.21 0.08 -0.44 0.00 -2.96 0.00 0.00 64.34 60.81 1vln n VAL 32 Cb 0.56 -0.75 -0.03 0.00 -1.06 0.00 0.00 33.84 32.56 1vln n VAL 32 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1vln s ARG 33 N -3.04 3.42 0.31 1.45 0.52 -1.26 -5.01 118.95 115.34 1vln s ARG 33 Ca 0.10 -1.67 -0.25 0.00 -0.52 0.00 0.00 55.73 53.39 1vln s ARG 33 Cb 0.14 -4.60 -0.15 0.00 0.52 0.00 0.00 34.95 30.85 1vln s ARG 33 CO 0.43 -1.64 0.51 0.43 0.02 0.00 0.00 175.30 175.04 1vln n SER 34 N 6.20 -1.13 0.18 0.23 7.64 -1.26 -4.84 113.62 120.64 1vln n SER 34 Ca 0.11 1.02 0.09 0.00 1.01 0.00 0.00 58.87 61.10 1vln n SER 34 Cb 0.47 -1.02 0.10 0.00 -1.01 0.00 0.00 64.21 62.75 1vln n SER 34 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1vln h LYS 35 N 0.96 0.00 -2.19 1.43 1.79 -1.21 -3.45 116.57 113.90 1vln h LYS 35 Ca -0.34 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.09 1vln h LYS 35 Cb 1.42 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.85 1vln h LYS 35 CO 0.54 0.17 -0.02 0.21 -1.08 0.00 0.00 179.45 179.27 1vln s LYS 36 N -3.13 0.68 0.20 3.15 2.47 -1.25 -5.01 119.74 116.85 1vln s LYS 36 Ca 0.05 1.00 0.06 0.00 -1.56 0.00 0.00 55.97 55.53 1vln s LYS 36 Cb 0.06 0.22 -0.05 0.00 -1.46 0.00 0.00 37.83 36.60 1vln s LYS 36 CO 0.71 -0.12 -0.11 0.95 0.16 0.00 0.00 175.35 176.93 1vln s THR 37 N 1.00 1.52 -0.04 3.43 -4.23 -1.26 -1.24 115.64 114.82 1vln s THR 37 Ca -0.05 -2.15 -0.05 0.00 -1.18 0.00 0.00 61.69 58.26 1vln s THR 37 Cb -0.05 -2.06 0.01 0.00 1.34 0.00 0.00 72.50 71.73 1vln s THR 37 CO -0.09 -0.58 0.12 0.00 -0.54 0.00 0.00 174.62 173.53 1vln s ALA 38 N -3.11 -0.31 0.24 3.99 0.00 0.12 -4.98 121.76 117.72 1vln s ALA 38 Ca 0.22 0.28 -0.30 0.00 0.00 0.00 0.00 51.96 52.17 1vln s ALA 38 Cb 0.01 -0.17 -0.09 0.00 0.00 0.00 0.00 23.12 22.87 1vln s ALA 38 CO 0.06 -0.08 1.30 0.21 0.00 0.00 0.00 175.76 177.25 1vln s LYS 39 N -0.13 4.39 -0.08 0.00 2.20 -1.26 -1.53 119.74 123.33 1vln s LYS 39 Ca -0.02 2.10 0.02 0.00 -0.36 0.00 0.00 55.97 57.71 1vln s LYS 39 Cb -0.02 -3.15 0.01 0.00 -1.51 0.00 0.00 37.83 33.16 1vln s LYS 39 CO 0.00 -0.21 -0.13 -0.46 -0.36 0.00 0.00 175.35 174.19 1vln s TRP 40 N -0.33 1.56 -1.12 4.03 -0.00 -0.77 -4.78 118.94 117.53 1vln s TRP 40 Ca 0.54 -0.62 -0.13 0.00 -0.00 0.00 0.00 56.10 55.88 1vln s TRP 40 Cb -0.37 -1.15 0.19 0.00 -0.00 0.00 0.00 33.47 32.14 1vln s TRP 40 CO 0.43 -0.33 1.28 -0.80 -0.00 0.00 0.00 176.95 177.52 1vln s ASN 41 N 0.78 7.04 0.46 5.86 0.01 -1.26 -4.46 114.94 123.38 1vln s ASN 41 Ca -0.12 -2.97 -0.25 0.00 -0.71 0.00 0.00 52.86 48.81 1vln s ASN 41 Cb -0.15 -2.35 -0.08 0.00 0.41 0.00 0.00 41.25 39.08 1vln s ASN 41 CO 0.02 -0.68 1.42 -0.32 -1.51 0.00 0.00 177.10 176.03 1vln s MET 42 N 1.02 3.61 -0.34 -0.60 1.75 -1.26 -4.98 119.30 118.50 1vln s MET 42 Ca 0.37 2.40 0.03 0.00 -1.25 0.00 0.00 55.69 57.23 1vln s MET 42 Cb -0.05 -2.60 0.10 0.00 2.84 0.00 0.00 34.83 35.11 1vln s MET 42 CO -0.04 -0.87 0.05 -0.65 -0.65 0.00 0.00 175.02 172.87 1vln s GLN 43 N -2.51 1.66 0.21 4.11 -0.21 -1.26 -5.09 119.66 116.56 1vln s GLN 43 Ca 0.62 -1.80 -0.32 0.00 0.02 0.00 0.00 55.36 53.88 1vln s GLN 43 Cb -0.43 -3.23 -0.13 0.00 1.00 0.00 0.00 33.01 30.22 1vln s GLN 43 CO 0.55 -0.91 1.66 -1.71 -2.12 0.00 0.00 175.29 172.76 1vln n ASN 44 N 4.33 3.71 0.00 5.90 5.15 -1.26 -2.27 115.26 130.81 1vln n ASN 44 Ca 0.01 1.08 0.00 0.00 -0.60 0.00 0.00 54.58 55.07 1vln n ASN 44 Cb 0.42 -1.53 0.00 0.00 -0.53 0.00 0.00 39.78 38.14 1vln n ASN 44 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1vln n GLY 45 N 3.56 1.78 3.78 8.20 0.00 -0.44 -4.98 105.19 117.09 1vln n GLY 45 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.20 3.03 -0.05 1.61 -0.14 -0.96 -4.94 119.74 118.08 1vln s LYS 46 Ca 0.00 -0.53 -0.30 0.00 -1.36 0.00 0.00 55.97 53.78 1vln s LYS 46 Cb 0.00 -2.83 -0.03 0.00 -1.68 0.00 0.00 37.83 33.29 1vln s LYS 46 CO 0.00 0.63 1.07 0.08 -0.76 0.00 0.00 175.35 176.37 1vln s VAL 47 N -1.25 4.59 0.45 3.17 1.01 -1.26 -4.32 120.40 122.80 1vln s VAL 47 Ca 0.25 1.87 0.06 0.00 0.00 0.00 0.00 61.98 64.15 1vln s VAL 47 Cb -0.12 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 1vln s VAL 47 CO 0.16 0.05 0.17 -0.83 0.00 0.00 0.00 175.10 174.65 1vln s GLY 48 N 1.18 2.49 -0.02 4.51 0.00 -0.17 -4.61 107.32 110.69 1vln s GLY 48 Ca 0.52 -1.66 0.02 0.00 0.00 0.00 0.00 44.72 43.60 1vln s GLY 48 CO 0.22 -1.99 -0.06 -1.59 0.00 0.00 0.00 173.10 169.68 1vln s THR 49 N -2.69 0.59 -0.08 0.90 2.01 -0.74 -1.06 115.64 114.56 1vln s THR 49 Ca 0.33 -0.24 0.05 0.00 0.31 0.00 0.00 61.69 62.13 1vln s THR 49 Cb 0.03 -0.54 -0.00 0.00 0.01 0.00 0.00 72.50 71.99 1vln s THR 49 CO 0.18 0.20 -0.23 0.00 -0.69 0.00 0.00 174.62 174.08 1vln s ALA 50 N 0.30 2.06 -0.10 7.40 0.00 -0.48 -1.42 121.76 129.53 1vln s ALA 50 Ca -0.04 -0.94 0.04 0.00 0.00 0.00 0.00 51.96 51.02 1vln s ALA 50 Cb -0.08 -0.73 0.00 0.00 0.00 0.00 0.00 23.12 22.31 1vln s ALA 50 CO 0.00 0.32 -0.22 -1.01 0.00 0.00 0.00 175.76 174.85 1vln s HIS 51 N 0.18 2.40 -0.03 0.00 3.76 0.06 -2.30 115.29 119.35 1vln s HIS 51 Ca -0.13 -0.98 0.05 0.00 -0.15 0.00 0.00 55.06 53.85 1vln s HIS 51 Cb -0.16 -1.62 -0.01 0.00 1.11 0.00 0.00 32.58 31.91 1vln s HIS 51 CO 0.06 -0.40 -0.18 0.42 -0.85 0.00 0.00 174.74 173.80 1vln s ILE 52 N 0.40 1.44 0.06 0.60 1.01 -0.10 -0.66 121.20 123.95 1vln s ILE 52 Ca -0.18 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 59.73 1vln s ILE 52 Cb -0.18 -1.23 -0.03 0.00 0.01 0.00 0.00 42.46 41.03 1vln s ILE 52 CO 0.08 0.41 -0.05 0.27 0.00 0.00 0.00 174.94 175.66 1vln s ILE 53 N -0.12 0.39 -0.15 2.92 -4.36 -0.59 -0.70 121.20 118.60 1vln s ILE 53 Ca -0.00 -1.58 -0.29 0.00 -0.26 0.00 0.00 60.65 58.52 1vln s ILE 53 Cb -0.10 -1.21 0.09 0.00 1.25 0.00 0.00 42.46 42.49 1vln s ILE 53 CO 0.01 -0.78 0.81 -0.47 0.24 0.00 0.00 174.94 174.75 1vln s TYR 54 N -3.02 -0.59 -0.03 1.37 5.04 -0.75 -2.43 117.35 116.95 1vln s TYR 54 Ca 0.02 1.16 -0.17 0.00 -2.44 0.00 0.00 57.07 55.63 1vln s TYR 54 Cb 0.01 0.39 0.03 0.00 0.35 0.00 0.00 41.96 42.74 1vln s TYR 54 CO -0.05 -0.45 0.38 0.54 -1.34 0.00 0.00 175.55 174.63 1vln s ASN 55 N -0.69 -0.29 0.00 4.32 2.20 -1.26 -1.60 114.94 117.62 1vln s ASN 55 Ca -0.05 0.25 0.22 0.00 -0.94 0.00 0.00 52.86 52.35 1vln s ASN 55 Cb -0.02 0.39 0.96 0.00 -2.00 0.00 0.00 41.25 40.58 1vln s ASN 55 CO 0.04 -0.45 1.72 -1.54 -2.94 0.00 0.00 177.10 173.93 1vln n SER 56 N 1.35 0.00 -0.07 3.54 3.41 -0.43 -0.11 113.62 121.31 1vln n SER 56 Ca -0.20 0.49 -0.12 0.00 -0.26 0.00 0.00 58.87 58.77 1vln n SER 56 Cb 0.56 -0.49 -0.10 0.00 -0.26 0.00 0.00 64.21 63.92 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 1.35 0.07 -3.33 2.07 -1.92 -3.38 116.25 111.11 1vln h VAL 57 Ca 0.00 -2.05 -0.26 0.00 0.82 0.00 0.00 66.70 65.21 1vln h VAL 57 Cb 0.38 2.59 -0.02 0.00 -1.52 0.00 0.00 31.29 32.73 1vln h VAL 57 CO 0.00 0.46 -1.25 0.44 0.02 0.00 0.00 177.57 177.24 1vln h ASP 58 N -1.00 0.22 -5.86 0.57 3.32 -1.97 -3.48 116.42 108.22 1vln h ASP 58 Ca -0.03 -0.26 -0.37 0.00 0.02 0.00 0.00 57.03 56.39 1vln h ASP 58 Cb 0.83 -0.07 0.11 0.00 0.22 0.00 0.00 39.33 40.42 1vln h ASP 58 CO -0.02 1.21 -0.80 0.29 -1.72 0.00 0.00 179.24 178.20 1vln n LYS 59 N -3.40 -5.61 -4.21 3.56 5.02 0.84 -4.93 118.16 109.43 1vln n LYS 59 Ca -0.08 0.73 -0.23 0.00 -2.02 0.00 0.00 58.31 56.72 1vln n LYS 59 Cb 1.00 -5.51 -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 1.03 -0.52 0.00 0.00 177.40 177.91 1vln s ARG 60 N -5.64 1.22 -0.26 1.97 1.81 -1.26 -1.40 118.95 115.39 1vln s ARG 60 Ca 0.02 -0.21 -0.10 0.00 -1.72 0.00 0.00 55.73 53.72 1vln s ARG 60 Cb -0.00 -1.17 -0.05 0.00 -0.45 0.00 0.00 34.95 33.28 1vln s ARG 60 CO 0.77 -0.10 0.16 -1.17 -0.68 0.00 0.00 175.30 174.27 1vln s LEU 61 N 1.09 3.90 0.15 2.53 2.96 -0.28 -4.24 118.68 124.79 1vln s LEU 61 Ca -0.08 -0.03 0.08 0.00 -0.22 0.00 0.00 54.13 53.89 1vln s LEU 61 Cb -0.14 -2.07 -0.04 0.00 0.50 0.00 0.00 46.19 44.44 1vln s LEU 61 CO -0.01 -0.02 -0.19 -0.44 -1.32 0.00 0.00 176.35 174.37 1vln s SER 62 N 1.58 2.63 -0.04 3.68 0.01 -1.02 -0.80 113.70 119.74 1vln s SER 62 Ca 0.07 -0.82 -0.04 0.00 1.31 0.00 0.00 55.95 56.47 1vln s SER 62 Cb -0.15 -0.15 0.01 0.00 0.21 0.00 0.00 66.02 65.94 1vln s SER 62 CO 0.08 -0.02 0.11 0.00 0.41 0.00 0.00 173.24 173.83 1vln s ALA 63 N -1.85 -0.26 -0.11 1.44 0.00 0.09 -1.54 121.76 119.53 1vln s ALA 63 Ca 0.13 0.34 0.01 0.00 0.00 0.00 0.00 51.96 52.45 1vln s ALA 63 Cb -0.07 -0.21 0.02 0.00 0.00 0.00 0.00 23.12 22.86 1vln s ALA 63 CO 0.06 -0.06 -0.14 0.08 0.00 0.00 0.00 175.76 175.70 1vln s VAL 64 N 0.18 1.38 -0.09 0.00 1.01 0.17 -1.77 120.40 121.28 1vln s VAL 64 Ca -0.01 -0.57 0.04 0.00 0.00 0.00 0.00 61.98 61.44 1vln s VAL 64 Cb -0.02 -1.28 -0.00 0.00 0.00 0.00 0.00 36.38 35.08 1vln s VAL 64 CO -0.01 0.42 -0.23 -0.69 0.00 0.00 0.00 175.10 174.59 1vln s VAL 65 N 1.07 1.96 0.26 2.92 1.01 -0.43 -0.76 120.40 126.43 1vln s VAL 65 Ca -0.05 -0.97 -0.06 0.00 0.00 0.00 0.00 61.98 60.89 1vln s VAL 65 Cb -0.15 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.52 1vln s VAL 65 CO -0.02 0.54 0.37 -0.94 0.00 0.00 0.00 175.10 175.05 1vln s SER 66 N 0.30 0.28 -0.00 3.32 1.04 -0.51 -1.46 113.70 116.67 1vln s SER 66 Ca -0.16 -1.23 0.02 0.00 0.48 0.00 0.00 55.95 55.06 1vln s SER 66 Cb -0.17 0.55 -0.01 0.00 0.10 0.00 0.00 66.02 66.49 1vln s SER 66 CO 0.08 -1.09 -0.07 -0.31 0.98 0.00 0.00 173.24 172.83 1vln s TYR 67 N -3.80 0.62 0.29 5.02 2.02 -1.26 -1.80 117.35 118.44 1vln s TYR 67 Ca 0.30 -0.12 -0.29 0.00 -0.37 0.00 0.00 57.07 56.58 1vln s TYR 67 Cb 0.02 -0.40 -0.13 0.00 -0.40 0.00 0.00 41.96 41.05 1vln s TYR 67 CO 0.13 -0.01 1.29 -2.30 -1.57 0.00 0.00 175.55 173.09 1vln n PRO 68 N 2.89 1.95 -3.05 -1.71 -0.02 -1.26 -2.13 135.00 131.67 1vln n PRO 68 Ca -0.13 0.69 -0.22 0.00 -2.02 0.00 0.00 63.50 61.81 1vln n PRO 68 Cb 0.58 -2.26 0.02 0.00 -0.02 0.00 0.00 33.50 31.81 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 1.40 -5.33 -4.04 2.55 3.02 -1.26 -4.97 115.26 106.63 1vln n ASN 69 Ca 0.08 -0.27 -0.08 0.00 -0.03 0.00 0.00 54.58 54.28 1vln n ASN 69 Cb 0.33 -4.34 -0.09 0.00 -0.61 0.00 0.00 39.78 35.07 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 -3.07 0.39 0.58 5.41 0.00 -0.91 -5.16 121.76 119.00 1vln s ALA 70 Ca 0.30 -1.12 -0.14 0.00 0.00 0.00 0.00 51.96 51.00 1vln s ALA 70 Cb -0.14 0.52 -0.05 0.00 0.00 0.00 0.00 23.12 23.45 1vln s ALA 70 CO 0.37 -0.46 1.01 0.34 0.00 0.00 0.00 175.76 177.02 1vln s ASP 71 N -2.94 6.33 0.31 0.00 -1.08 -1.26 -4.60 116.67 113.42 1vln s ASP 71 Ca 0.12 1.52 0.08 0.00 -0.52 0.00 0.00 52.55 53.74 1vln s ASP 71 Cb 0.07 -2.49 -0.03 0.00 -1.46 0.00 0.00 42.92 39.00 1vln s ASP 71 CO -0.06 -0.80 0.22 -0.94 0.52 0.00 0.00 175.17 174.11 1vln s SER 72 N -3.61 5.17 -0.07 -0.34 1.04 -1.26 -4.55 113.70 110.08 1vln s SER 72 Ca 0.57 -0.50 0.03 0.00 0.48 0.00 0.00 55.95 56.53 1vln s SER 72 Cb -0.11 -1.03 -0.02 0.00 0.10 0.00 0.00 66.02 64.96 1vln s SER 72 CO 0.43 -0.23 -0.15 0.00 0.98 0.00 0.00 173.24 174.27 1vln s ALA 73 N -2.29 2.62 0.12 5.32 0.00 -0.53 -4.98 121.76 122.02 1vln s ALA 73 Ca 0.37 -0.96 0.09 0.00 0.00 0.00 0.00 51.96 51.46 1vln s ALA 73 Cb -0.06 -1.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.01 1vln s ALA 73 CO 0.25 0.46 -0.21 0.99 0.00 0.00 0.00 175.76 177.25 1vln s THR 74 N -0.39 1.78 -0.20 0.00 2.01 -1.26 -1.31 115.64 116.27 1vln s THR 74 Ca 0.04 -1.65 -0.17 0.00 0.31 0.00 0.00 61.69 60.22 1vln s THR 74 Cb -0.12 -1.66 0.06 0.00 0.01 0.00 0.00 72.50 70.78 1vln s THR 74 CO 0.02 -0.11 0.53 0.54 -0.69 0.00 0.00 174.62 174.91 1vln s VAL 75 N -1.37 -0.00 0.08 3.82 0.11 -0.73 -4.75 120.40 117.55 1vln s VAL 75 Ca 0.09 0.01 0.01 0.00 -2.93 0.00 0.00 61.98 59.17 1vln s VAL 75 Cb -0.09 -0.75 -0.04 0.00 -1.53 0.00 0.00 36.38 33.97 1vln s VAL 75 CO 0.05 0.01 -0.06 -0.44 -3.33 0.00 0.00 175.10 171.32 1vln s SER 76 N 0.60 0.96 -0.21 3.54 0.01 -1.26 -0.73 113.70 116.60 1vln s SER 76 Ca -0.03 -0.88 -0.11 0.00 1.31 0.00 0.00 55.95 56.24 1vln s SER 76 Cb -0.05 0.10 0.07 0.00 0.21 0.00 0.00 66.02 66.35 1vln s SER 76 CO -0.04 -0.42 0.51 -0.47 0.41 0.00 0.00 173.24 173.24 1vln s TYR 77 N -3.06 -0.79 -0.30 2.43 5.04 0.02 -4.93 117.35 115.75 1vln s TYR 77 Ca 0.05 1.61 -0.29 0.00 -2.44 0.00 0.00 57.07 56.00 1vln s TYR 77 Cb 0.02 0.41 0.01 0.00 0.35 0.00 0.00 41.96 42.74 1vln s TYR 77 CO -0.04 -0.42 1.17 -0.51 -1.34 0.00 0.00 175.55 174.40 1vln s ASP 78 N 1.60 6.85 -0.20 4.32 1.01 -1.26 -1.13 116.67 127.85 1vln s ASP 78 Ca -0.09 1.15 -0.16 0.00 0.71 0.00 0.00 52.55 54.15 1vln s ASP 78 Cb -0.08 -2.54 0.06 0.00 1.01 0.00 0.00 42.92 41.37 1vln s ASP 78 CO -0.15 -0.94 0.53 0.54 0.21 0.00 0.00 175.17 175.36 1vln s VAL 79 N 3.88 -0.01 -0.52 -1.27 0.11 -0.49 -5.00 120.40 117.10 1vln s VAL 79 Ca 0.50 0.02 -0.17 0.00 -2.93 0.00 0.00 61.98 59.39 1vln s VAL 79 Cb -0.14 -0.75 0.09 0.00 -1.53 0.00 0.00 36.38 34.05 1vln s VAL 79 CO 0.18 0.01 0.54 -0.62 -3.33 0.00 0.00 175.10 171.87 1vln s ASP 80 N 0.67 6.18 0.50 3.54 -1.08 -1.26 -4.29 116.67 120.93 1vln s ASP 80 Ca -0.03 -1.40 0.34 0.00 -0.52 0.00 0.00 52.55 50.93 1vln s ASP 80 Cb -0.05 -2.24 1.79 0.00 -1.46 0.00 0.00 42.92 40.96 1vln s ASP 80 CO -0.05 -0.86 2.03 -0.07 0.52 0.00 0.00 175.17 176.75 1vln h LEU 81 N 9.24 0.00 -1.86 -1.34 3.38 -1.98 -1.73 115.31 121.02 1vln h LEU 81 Ca -0.29 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 1vln h LEU 81 Cb 1.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 1vln h LEU 81 CO 0.99 0.00 -0.14 0.44 0.09 0.00 0.00 178.44 179.83 1vln h ASP 82 N 0.00 0.00 1.01 -0.43 5.19 -1.91 -0.98 116.42 119.29 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 0.06 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.57 1vln h ASP 82 CO 0.00 0.14 -0.96 0.78 -3.12 0.00 0.00 179.24 176.07 1vln h ASN 83 N 0.00 0.00 0.01 6.45 2.35 -1.74 -3.41 115.58 119.23 1vln h ASN 83 Ca -0.00 -0.01 -0.42 0.00 -0.55 0.00 0.00 56.30 55.31 1vln h ASN 83 Cb 0.30 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.60 1vln h ASN 83 CO 0.02 0.01 -2.39 1.33 -1.65 0.00 0.00 177.43 174.75 1vln n VAL 84 N -2.66 1.53 -3.95 2.81 0.24 -0.79 -5.05 118.33 110.47 1vln n VAL 84 Ca 0.00 -0.41 -0.21 0.00 -2.04 0.00 0.00 64.34 61.68 1vln n VAL 84 Cb 0.54 -1.77 -0.02 0.00 -1.47 0.00 0.00 33.84 31.12 1vln n VAL 84 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1vln s LEU 85 N -7.26 4.17 0.87 1.34 1.43 -0.44 -5.00 118.68 113.78 1vln s LEU 85 Ca -0.36 -0.03 -0.13 0.00 -1.03 0.00 0.00 54.13 52.57 1vln s LEU 85 Cb 0.12 -2.73 0.12 0.00 0.03 0.00 0.00 46.19 43.73 1vln s LEU 85 CO 0.54 -0.11 1.20 -2.16 0.23 0.00 0.00 176.35 176.06 1vln s PRO 86 N -3.97 1.49 0.17 1.29 0.04 -1.26 -4.76 135.00 127.99 1vln s PRO 86 Ca 0.35 0.03 -0.11 0.00 0.04 0.00 0.00 61.00 61.31 1vln s PRO 86 Cb -0.09 -1.90 0.05 0.00 0.04 0.00 0.00 34.50 32.60 1vln s PRO 86 CO 0.28 -1.91 1.66 1.49 0.04 0.00 0.00 177.00 178.56 1vln h GLU 87 N -1.28 0.93 -5.24 4.56 4.81 -1.95 -3.42 114.58 112.99 1vln h GLU 87 Ca -0.46 -0.24 -0.64 0.00 -0.13 0.00 0.00 59.36 57.88 1vln h GLU 87 Cb 1.31 -0.11 -0.23 0.00 0.63 0.00 0.00 28.75 30.34 1vln h GLU 87 CO 0.59 0.89 -0.69 -1.58 -0.73 0.00 0.00 179.01 177.49 1vln s TRP 88 N -5.22 2.98 0.33 0.92 0.52 -1.26 -1.79 118.94 115.41 1vln s TRP 88 Ca -0.12 -0.46 0.05 0.00 0.02 0.00 0.00 56.10 55.59 1vln s TRP 88 Cb 0.13 -1.97 -0.02 0.00 -1.15 0.00 0.00 33.47 30.45 1vln s TRP 88 CO 0.82 -0.15 0.20 1.33 0.02 0.00 0.00 176.95 179.16 1vln n VAL 89 N 3.77 0.00 -4.48 4.03 0.24 -0.55 -4.34 118.33 117.01 1vln n VAL 89 Ca -0.18 -2.16 -0.21 0.00 -2.04 0.00 0.00 64.34 59.76 1vln n VAL 89 Cb 0.52 0.94 -0.14 0.00 -1.47 0.00 0.00 33.84 33.69 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 -3.29 0.99 0.03 7.34 0.52 0.16 -0.65 118.95 124.04 1vln s ARG 90 Ca 0.28 -0.59 0.03 0.00 -0.52 0.00 0.00 55.73 54.93 1vln s ARG 90 Cb 0.01 -0.97 -0.04 0.00 0.52 0.00 0.00 34.95 34.48 1vln s ARG 90 CO 0.20 0.25 0.01 0.14 0.02 0.00 0.00 175.30 175.92 1vln s VAL 91 N -0.54 4.15 0.22 3.52 -7.23 -1.26 -1.15 120.40 118.11 1vln s VAL 91 Ca 0.03 -0.73 -0.15 0.00 -1.81 0.00 0.00 61.98 59.32 1vln s VAL 91 Cb -0.06 -2.90 0.06 0.00 0.56 0.00 0.00 36.38 34.03 1vln s VAL 91 CO 0.00 0.28 0.76 0.61 -0.31 0.00 0.00 175.10 176.44 1vln n GLY 92 N 1.06 0.91 3.15 2.32 0.00 -0.30 -2.20 105.19 110.13 1vln n GLY 92 Ca -0.13 -1.15 -0.27 0.00 0.00 0.00 0.00 46.02 44.47 1vln n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vln s LEU 93 N 0.00 1.92 0.04 0.99 1.43 -0.16 -1.30 118.68 121.61 1vln s LEU 93 Ca 0.16 -0.39 0.05 0.00 -1.03 0.00 0.00 54.13 52.92 1vln s LEU 93 Cb -0.03 -1.05 -0.02 0.00 0.03 0.00 0.00 46.19 45.12 1vln s LEU 93 CO 0.07 0.15 -0.14 -0.55 0.23 0.00 0.00 176.35 176.11 1vln s SER 94 N 0.11 1.62 0.07 2.29 0.15 -0.01 -1.49 113.70 116.44 1vln s SER 94 Ca -0.06 -0.44 -0.12 0.00 0.70 0.00 0.00 55.95 56.03 1vln s SER 94 Cb -0.13 -0.11 0.01 0.00 -1.71 0.00 0.00 66.02 64.09 1vln s SER 94 CO 0.03 0.04 0.27 0.00 1.20 0.00 0.00 173.24 174.78 1vln s ALA 95 N -0.82 -0.54 0.17 5.45 0.00 -0.79 -0.06 121.76 125.17 1vln s ALA 95 Ca 0.01 -0.24 -0.18 0.00 0.00 0.00 0.00 51.96 51.55 1vln s ALA 95 Cb -0.08 0.43 0.04 0.00 0.00 0.00 0.00 23.12 23.51 1vln s ALA 95 CO 0.01 -0.48 0.50 -1.54 0.00 0.00 0.00 175.76 174.25 1vln s SER 96 N -2.45 -0.31 0.09 0.00 1.04 -1.02 -2.39 113.70 108.66 1vln s SER 96 Ca -0.00 -0.34 0.02 0.00 0.48 0.00 0.00 55.95 56.11 1vln s SER 96 Cb 0.01 0.55 -0.04 0.00 0.10 0.00 0.00 66.02 66.65 1vln s SER 96 CO -0.07 -0.98 -0.07 0.42 0.98 0.00 0.00 173.24 173.52 1vln s THR 97 N -3.83 0.72 0.00 2.02 -4.23 -0.53 -0.08 115.64 109.71 1vln s THR 97 Ca 0.06 -1.76 0.00 0.00 -1.18 0.00 0.00 61.69 58.80 1vln s THR 97 Cb -0.00 -1.47 0.00 0.00 1.34 0.00 0.00 72.50 72.37 1vln s THR 97 CO -0.08 -0.75 0.00 0.61 -0.54 0.00 0.00 174.62 173.87 1vln n GLY 98 N 0.27 3.00 0.16 3.99 0.00 -1.26 -2.49 105.19 108.86 1vln n GLY 98 Ca -0.14 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.43 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 0.48-10.21 0.99 5.85 -1.96 -0.53 115.31 109.92 1vln h LEU 99 Ca 0.00 -0.44 -0.46 0.00 0.84 0.00 0.00 57.88 57.82 1vln h LEU 99 Cb 0.00 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 40.89 1vln h LEU 99 CO 0.00 0.82 -0.33 -0.31 -0.34 0.00 0.00 178.44 178.28 1vln s TYR 100 N -4.48 3.46 0.21 1.25 2.02 -1.26 -4.88 117.35 113.66 1vln s TYR 100 Ca -0.14 0.12 -0.05 0.00 -0.37 0.00 0.00 57.07 56.64 1vln s TYR 100 Cb 0.07 -1.72 -0.03 0.00 -0.40 0.00 0.00 41.96 39.88 1vln s TYR 100 CO 0.77 0.29 0.24 -1.59 -1.57 0.00 0.00 175.55 173.69 1vln s LYS 101 N -4.12 1.29 0.18 -0.62 0.00 -1.25 -4.44 119.74 110.77 1vln s LYS 101 Ca 0.37 -1.49 -0.23 0.00 0.00 0.00 0.00 55.97 54.62 1vln s LYS 101 Cb -0.09 0.33 0.06 0.00 0.00 0.00 0.00 37.83 38.13 1vln s LYS 101 CO 0.32 -0.46 0.74 -1.83 0.00 0.00 0.00 175.35 174.11 1vln s GLU 102 N -4.10 1.38 0.14 1.78 -1.05 -1.16 -3.84 118.70 111.85 1vln s GLU 102 Ca 0.32 -0.65 -0.26 0.00 -0.15 0.00 0.00 54.97 54.23 1vln s GLU 102 Cb 0.05 0.54 -0.07 0.00 -0.44 0.00 0.00 34.13 34.20 1vln s GLU 102 CO 0.10 -0.62 0.81 0.95 0.95 0.00 0.00 175.26 177.45 1vln s THR 103 N -3.65 4.43 -0.63 1.83 -4.23 -0.63 -4.70 115.64 108.06 1vln s THR 103 Ca 0.07 1.77 0.06 0.00 -1.18 0.00 0.00 61.69 62.40 1vln s THR 103 Cb -0.03 -4.17 0.26 0.00 1.34 0.00 0.00 72.50 69.90 1vln s THR 103 CO -0.03 0.47 0.76 0.59 -0.54 0.00 0.00 174.62 175.87 1vln n ASN 104 N 1.97 3.78 -4.79 3.99 5.03 -1.26 -3.60 115.26 120.37 1vln n ASN 104 Ca -0.04 -3.46 -0.38 0.00 0.87 0.00 0.00 54.58 51.58 1vln n ASN 104 Cb 0.49 -0.66 -0.06 0.00 -1.02 0.00 0.00 39.78 38.53 1vln n ASN 104 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1vln s THR 105 N -2.63 5.13 -0.13 3.41 2.01 -1.02 -1.61 115.64 120.81 1vln s THR 105 Ca 0.41 0.78 -0.00 0.00 0.31 0.00 0.00 61.69 63.19 1vln s THR 105 Cb 0.16 -3.71 -0.02 0.00 0.01 0.00 0.00 72.50 68.95 1vln s THR 105 CO -0.02 0.49 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.65 1vln s ILE 106 N -0.44 3.13 -0.09 1.82 -1.09 0.20 -1.27 121.20 123.46 1vln s ILE 106 Ca 0.23 -0.64 0.19 0.00 -2.23 0.00 0.00 60.65 58.20 1vln s ILE 106 Cb -0.15 -2.32 -0.29 0.00 -1.58 0.00 0.00 42.46 38.12 1vln s ILE 106 CO 0.11 0.52 0.32 0.18 -1.23 0.00 0.00 174.94 174.84 1vln n LEU 107 N 3.47 0.00 -3.47 2.97 4.77 -0.62 -2.28 117.00 121.84 1vln n LEU 107 Ca -0.18 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.66 1vln n LEU 107 Cb 0.53 0.17 -0.04 0.00 -2.33 0.00 0.00 43.42 41.75 1vln n LEU 107 CO 0.31 0.17 0.45 -0.94 -1.33 0.00 0.00 177.39 176.05 1vln s SER 108 N -4.74 -0.58 -0.26 -1.43 1.04 -1.25 -4.37 113.70 102.12 1vln s SER 108 Ca -0.08 0.28 -0.12 0.00 0.48 0.00 0.00 55.95 56.51 1vln s SER 108 Cb 0.11 0.55 0.10 0.00 0.10 0.00 0.00 66.02 66.87 1vln s SER 108 CO 0.83 -0.79 0.60 0.86 0.98 0.00 0.00 173.24 175.73 1vln s TRP 109 N -2.66 -1.06 0.04 5.02 -0.00 -0.10 -2.43 118.94 117.74 1vln s TRP 109 Ca -0.03 2.00 0.03 0.00 -0.00 0.00 0.00 56.10 58.10 1vln s TRP 109 Cb -0.01 0.60 -0.02 0.00 -0.00 0.00 0.00 33.47 34.04 1vln s TRP 109 CO -0.04 -0.55 -0.09 -1.54 -0.00 0.00 0.00 176.95 174.74 1vln s SER 110 N 2.18 0.98 -0.05 5.86 1.04 -0.35 -0.31 113.70 123.04 1vln s SER 110 Ca -0.07 -0.46 -0.04 0.00 0.48 0.00 0.00 55.95 55.86 1vln s SER 110 Cb -0.09 -0.01 0.02 0.00 0.10 0.00 0.00 66.02 66.04 1vln s SER 110 CO -0.18 -0.11 0.13 0.12 0.98 0.00 0.00 173.24 174.18 1vln s PHE 111 N -1.06 -0.14 -0.03 5.02 5.36 -0.46 -1.99 117.98 124.68 1vln s PHE 111 Ca -0.06 0.36 -0.01 0.00 -0.96 0.00 0.00 56.93 56.26 1vln s PHE 111 Cb -0.08 0.02 0.03 0.00 -0.34 0.00 0.00 43.02 42.65 1vln s PHE 111 CO 0.01 -0.08 0.04 0.99 -1.46 0.00 0.00 175.22 174.71 1vln s THR 112 N 0.25 -0.02 -0.02 0.12 2.01 -0.99 -1.25 115.64 115.74 1vln s THR 112 Ca -0.02 0.29 0.05 0.00 0.31 0.00 0.00 61.69 62.33 1vln s THR 112 Cb -0.03 -0.17 -0.01 0.00 0.01 0.00 0.00 72.50 72.30 1vln s THR 112 CO -0.01 0.15 -0.16 -0.94 -0.69 0.00 0.00 174.62 172.97 1vln s SER 113 N 1.65 1.93 -0.02 3.53 1.04 -0.46 -1.49 113.70 119.88 1vln s SER 113 Ca -0.02 -0.30 0.03 0.00 0.48 0.00 0.00 55.95 56.14 1vln s SER 113 Cb -0.13 -0.25 -0.00 0.00 0.10 0.00 0.00 66.02 65.75 1vln s SER 113 CO -0.03 0.20 -0.10 -0.54 0.98 0.00 0.00 173.24 173.75 1vln s LYS 114 N -0.34 0.93 -0.23 4.02 1.02 -0.82 -1.32 119.74 123.00 1vln s LYS 114 Ca 0.05 -0.34 0.01 0.00 0.02 0.00 0.00 55.97 55.71 1vln s LYS 114 Cb -0.07 -0.87 0.06 0.00 -0.52 0.00 0.00 37.83 36.43 1vln s LYS 114 CO -0.00 0.16 -0.05 -0.51 -0.92 0.00 0.00 175.35 174.02 1vln s LEU 115 N 0.01 2.44 -0.47 3.17 1.43 0.44 -2.68 118.68 123.02 1vln s LEU 115 Ca -0.00 -1.12 -0.17 0.00 -1.03 0.00 0.00 54.13 51.82 1vln s LEU 115 Cb -0.07 -1.15 0.06 0.00 0.03 0.00 0.00 46.19 45.07 1vln s LEU 115 CO 0.00 -0.23 0.45 -0.75 0.23 0.00 0.00 176.35 176.06 1vln s LYS 116 N 1.43 3.03 0.00 1.70 2.20 -0.28 -0.76 119.74 127.05 1vln s LYS 116 Ca -0.05 -1.15 0.00 0.00 -0.36 0.00 0.00 55.97 54.41 1vln s LYS 116 Cb -0.18 -4.10 0.00 0.00 -1.51 0.00 0.00 37.83 32.04 1vln s LYS 116 CO -0.06 -1.04 0.00 0.45 -0.36 0.00 0.00 175.35 174.33 1vln n SER 117 N 5.50 0.00 -3.47 1.43 2.88 -1.13 -0.18 113.62 118.66 1vln n SER 117 Ca -0.10 -0.97 -0.40 0.00 -1.33 0.00 0.00 58.87 56.07 1vln n SER 117 Cb 0.45 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.89 1vln n SER 117 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1vln n ASN 118 N -2.92 7.71 -3.62 -3.46 3.02 -1.15 -4.49 115.26 110.35 1vln n ASN 118 Ca 0.00 -2.87 -0.02 0.00 -0.03 0.00 0.00 54.58 51.66 1vln n ASN 118 Cb 0.00 -1.48 -0.04 0.00 -0.61 0.00 0.00 39.78 37.64 1vln n ASN 118 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1vln s SER 119 N 1.43 -1.07 -0.23 6.41 0.01 -1.26 -5.09 113.70 113.90 1vln s SER 119 Ca 0.59 1.48 -0.35 0.00 1.31 0.00 0.00 55.95 58.98 1vln s SER 119 Cb 0.17 2.20 -0.11 0.00 0.21 0.00 0.00 66.02 68.49 1vln s SER 119 CO -0.07 -0.22 2.03 0.41 0.41 0.00 0.00 173.24 175.80 1vln n THR 120 N 5.44 0.36 0.00 1.44 -1.04 -1.26 -0.63 114.28 118.60 1vln n THR 120 Ca -0.11 -0.20 0.00 0.00 -2.04 0.00 0.00 64.05 61.70 1vln n THR 120 Cb 0.49 -1.79 0.00 0.00 -1.82 0.00 0.00 70.33 67.22 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 8.40 0.00 -1.57 -1.42 -0.00 -1.26 -4.96 115.22 114.40 1vln n HIS 121 Ca 0.31 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.63 1vln n HIS 121 Cb 0.27 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.22 1vln n HIS 121 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 1vln n GLU 122 N -2.00 1.97 -4.04 1.57 4.71 0.20 -4.89 120.64 118.16 1vln n GLU 122 Ca 0.00 -2.25 -0.36 0.00 -0.01 0.00 0.00 57.16 54.53 1vln n GLU 122 Cb 0.00 -3.20 -0.07 0.00 -1.01 0.00 0.00 31.44 27.16 1vln n GLU 122 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 1vln s THR 123 N 5.62 5.11 -0.06 2.62 2.01 -1.26 -2.83 115.64 126.85 1vln s THR 123 Ca 0.57 0.06 -0.02 0.00 0.31 0.00 0.00 61.69 62.61 1vln s THR 123 Cb 0.11 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 69.38 1vln s THR 123 CO 0.07 0.61 0.05 0.20 -0.69 0.00 0.00 174.62 174.86 1vln s ASN 124 N -0.94 5.52 0.02 3.53 -0.87 0.06 -4.94 114.94 117.32 1vln s ASN 124 Ca 0.14 0.18 -0.11 0.00 -1.57 0.00 0.00 52.86 51.50 1vln s ASN 124 Cb -0.12 -1.59 0.01 0.00 -0.02 0.00 0.00 41.25 39.53 1vln s ASN 124 CO 0.03 0.34 0.24 0.00 -2.57 0.00 0.00 177.10 175.14 1vln s ALA 125 N -1.02 -0.52 -0.00 0.60 0.00 -1.26 -0.42 121.76 119.14 1vln s ALA 125 Ca 0.17 -0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.07 1vln s ALA 125 Cb -0.12 0.22 -0.00 0.00 0.00 0.00 0.00 23.12 23.23 1vln s ALA 125 CO 0.07 -0.33 -0.02 -1.17 0.00 0.00 0.00 175.76 174.30 1vln s LEU 126 N -1.83 2.00 -0.14 0.00 2.96 -0.43 -5.01 118.68 116.24 1vln s LEU 126 Ca -0.08 -0.04 -0.12 0.00 -0.22 0.00 0.00 54.13 53.67 1vln s LEU 126 Cb -0.03 -0.11 0.04 0.00 0.50 0.00 0.00 46.19 46.59 1vln s LEU 126 CO -0.01 0.03 0.36 -2.28 -1.32 0.00 0.00 176.35 173.12 1vln s HIS 127 N -0.05 -0.41 -0.00 5.38 5.65 -1.26 -1.35 115.29 123.24 1vln s HIS 127 Ca 0.01 0.98 -0.04 0.00 0.25 0.00 0.00 55.06 56.26 1vln s HIS 127 Cb -0.01 0.14 -0.00 0.00 -1.18 0.00 0.00 32.58 31.53 1vln s HIS 127 CO -0.00 -0.21 0.08 -0.59 -0.65 0.00 0.00 174.74 173.37 1vln s PHE 128 N 0.38 0.07 -0.11 3.88 -0.12 -0.38 -4.99 117.98 116.71 1vln s PHE 128 Ca -0.02 -0.15 -0.04 0.00 -0.05 0.00 0.00 56.93 56.68 1vln s PHE 128 Cb -0.04 -0.07 0.05 0.00 -0.63 0.00 0.00 43.02 42.34 1vln s PHE 128 CO -0.01 -0.20 0.19 1.41 -0.05 0.00 0.00 175.22 176.55 1vln s MET 129 N -1.04 0.07 -0.26 1.99 1.75 -1.26 -1.35 119.30 119.20 1vln s MET 129 Ca -0.11 0.56 -0.04 0.00 -1.25 0.00 0.00 55.69 54.85 1vln s MET 129 Cb -0.07 -0.33 0.01 0.00 2.84 0.00 0.00 34.83 37.29 1vln s MET 129 CO 0.00 -0.34 -0.00 -0.06 -0.65 0.00 0.00 175.02 173.97 1vln s PHE 130 N 2.32 3.09 -1.70 4.11 0.08 0.57 -4.92 117.98 121.53 1vln s PHE 130 Ca 0.03 -1.24 0.14 0.00 0.12 0.00 0.00 56.93 55.98 1vln s PHE 130 Cb -0.12 -2.14 0.09 0.00 -0.57 0.00 0.00 43.02 40.28 1vln s PHE 130 CO -0.07 -0.64 0.92 0.09 -0.10 0.00 0.00 175.22 175.42 1vln n ASN 131 N 4.76 2.06 -3.57 1.36 3.02 -1.26 -0.93 115.26 120.70 1vln n ASN 131 Ca -0.16 -1.53 -0.16 0.00 -0.03 0.00 0.00 54.58 52.70 1vln n ASN 131 Cb 0.48 0.09 -0.06 0.00 -0.61 0.00 0.00 39.78 39.68 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 -1.29 0.94 -0.02 3.52 0.74 -1.26 -4.79 119.66 117.50 1vln s GLN 132 Ca 0.16 0.61 0.07 0.00 0.05 0.00 0.00 55.36 56.24 1vln s GLN 132 Cb 0.12 0.45 -0.02 0.00 1.10 0.00 0.00 33.01 34.65 1vln s GLN 132 CO 0.21 -0.22 -0.22 -0.06 -0.55 0.00 0.00 175.29 174.46 1vln s PHE 133 N -0.43 2.46 0.37 1.67 0.40 -0.14 -5.01 117.98 117.30 1vln s PHE 133 Ca -0.05 -0.33 0.03 0.00 -0.60 0.00 0.00 56.93 55.97 1vln s PHE 133 Cb -0.02 -1.53 -0.01 0.00 0.51 0.00 0.00 43.02 41.97 1vln s PHE 133 CO 0.05 0.07 0.54 -1.12 0.70 0.00 0.00 175.22 175.47 1vln s SER 134 N -0.78 5.99 0.27 1.36 0.01 -1.26 -3.76 113.70 115.53 1vln s SER 134 Ca 0.11 0.08 -0.03 0.00 1.31 0.00 0.00 55.95 57.43 1vln s SER 134 Cb -0.10 -1.50 0.35 0.00 0.21 0.00 0.00 66.02 64.98 1vln s SER 134 CO 0.00 -0.48 1.83 0.50 0.41 0.00 0.00 173.24 175.50 1vln h LYS 135 N 0.72 0.93 -3.14 12.44 3.64 -1.85 -2.97 116.57 126.34 1vln h LYS 135 Ca -0.47 -0.17 -0.62 0.00 -1.27 0.00 0.00 60.65 58.11 1vln h LYS 135 Cb 1.25 -0.15 -0.42 0.00 -0.41 0.00 0.00 32.23 32.50 1vln h LYS 135 CO 0.56 0.79 -0.60 0.34 -2.27 0.00 0.00 179.45 178.28 1vln s ASP 136 N -6.51 4.58 -1.06 4.20 2.15 -1.26 -4.72 116.67 114.06 1vln s ASP 136 Ca -0.10 -3.59 -0.18 0.00 0.43 0.00 0.00 52.55 49.10 1vln s ASP 136 Cb 0.16 -1.60 0.12 0.00 -0.30 0.00 0.00 42.92 41.30 1vln s ASP 136 CO 0.81 -0.13 1.33 -1.58 -0.17 0.00 0.00 175.17 175.43 1vln s GLN 137 N -1.08 3.77 0.03 4.34 2.00 -1.24 -4.89 119.66 122.60 1vln s GLN 137 Ca 0.23 -1.88 0.06 0.00 -2.00 0.00 0.00 55.36 51.77 1vln s GLN 137 Cb -0.10 -5.10 0.29 0.00 0.80 0.00 0.00 33.01 28.89 1vln s GLN 137 CO -0.12 -1.90 1.20 1.63 -0.50 0.00 0.00 175.29 175.60 1vln n LYS 138 N 6.93 0.02 -0.37 1.67 5.02 -1.26 -2.34 118.16 127.82 1vln n LYS 138 Ca 0.32 0.44 0.08 0.00 -2.02 0.00 0.00 58.31 57.13 1vln n LYS 138 Cb 0.47 -1.55 0.26 0.00 -0.02 0.00 0.00 35.03 34.20 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 -1.59 3.37 -4.31 4.39 5.68 -1.26 -4.91 116.55 117.93 1vln n ASP 139 Ca 0.01 -2.15 -0.26 0.00 -0.50 0.00 0.00 54.79 51.89 1vln n ASP 139 Cb 0.06 -0.44 -0.13 0.00 -1.14 0.00 0.00 41.12 39.47 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 -1.24 2.28 -0.37 -2.12 1.43 -0.99 -1.20 118.68 116.48 1vln s LEU 140 Ca 0.39 -0.68 -0.05 0.00 -1.03 0.00 0.00 54.13 52.76 1vln s LEU 140 Cb 0.22 -0.99 0.07 0.00 0.03 0.00 0.00 46.19 45.52 1vln s LEU 140 CO 0.23 0.11 0.14 -0.63 0.23 0.00 0.00 176.35 176.43 1vln s ILE 141 N -1.08 3.58 0.00 -0.59 1.01 0.72 -4.86 121.20 119.98 1vln s ILE 141 Ca 0.09 -1.49 -0.19 0.00 0.00 0.00 0.00 60.65 59.06 1vln s ILE 141 Cb -0.10 -3.18 -0.06 0.00 0.01 0.00 0.00 42.46 39.13 1vln s ILE 141 CO 0.04 -0.37 0.53 -0.76 0.00 0.00 0.00 174.94 174.38 1vln s LEU 142 N 1.31 4.44 0.04 2.97 1.43 -1.26 -0.90 118.68 126.70 1vln s LEU 142 Ca 0.01 1.10 0.05 0.00 -1.03 0.00 0.00 54.13 54.26 1vln s LEU 142 Cb -0.21 -2.82 -0.02 0.00 0.03 0.00 0.00 46.19 43.17 1vln s LEU 142 CO -0.00 0.18 -0.14 -1.10 0.23 0.00 0.00 176.35 175.52 1vln s GLN 143 N -0.50 0.96 6.74 1.70 -0.21 0.16 -4.97 119.66 123.54 1vln s GLN 143 Ca 0.28 -0.74 0.00 0.00 0.02 0.00 0.00 55.36 54.92 1vln s GLN 143 Cb -0.18 -0.97 0.00 0.00 1.00 0.00 0.00 33.01 32.87 1vln s GLN 143 CO 0.16 0.24 0.00 0.41 -2.12 0.00 0.00 175.29 173.98 1vln n GLY 144 N 1.95 1.52 0.88 3.09 0.00 -1.26 -0.86 105.19 110.51 1vln n GLY 144 Ca -0.18 -0.48 0.10 0.00 0.00 0.00 0.00 46.02 45.46 1vln n GLY 144 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1vln n ASP 145 N 6.26 2.59 -4.74 1.61 8.00 0.15 -4.94 116.55 125.48 1vln n ASP 145 Ca 0.00 -1.91 -0.41 0.00 0.71 0.00 0.00 54.79 53.18 1vln n ASP 145 Cb 0.00 -0.24 -0.03 0.00 -0.02 0.00 0.00 41.12 40.83 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 -1.51 3.53 0.08 2.24 0.00 -1.21 -4.40 121.76 120.49 1vln s ALA 146 Ca 0.35 1.14 -0.04 0.00 0.00 0.00 0.00 51.96 53.41 1vln s ALA 146 Cb 0.19 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.80 1vln s ALA 146 CO 0.26 -0.56 0.08 0.95 0.00 0.00 0.00 175.76 176.49 1vln s THR 147 N -0.05 0.17 0.34 0.00 -4.23 -0.64 -4.72 115.64 106.52 1vln s THR 147 Ca 0.56 -1.56 0.03 0.00 -1.18 0.00 0.00 61.69 59.54 1vln s THR 147 Cb -0.37 -1.52 -0.04 0.00 1.34 0.00 0.00 72.50 71.91 1vln s THR 147 CO 0.40 -0.79 0.12 0.42 -0.54 0.00 0.00 174.62 174.24 1vln s THR 148 N -3.91 0.61 0.00 3.99 -4.23 -1.26 -0.43 115.64 110.41 1vln s THR 148 Ca 0.08 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.59 1vln s THR 148 Cb 0.07 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.38 1vln s THR 148 CO -0.09 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.60 1vln n GLY 149 N -0.71 3.03 3.55 3.99 0.00 -0.74 -4.44 105.19 109.88 1vln n GLY 149 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.65 3.28 -0.81 2.61 -4.23 -1.22 -1.32 115.64 112.30 1vln s THR 150 Ca 0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.50 1vln s THR 150 Cb 0.00 -3.70 0.00 0.00 1.34 0.00 0.00 72.50 70.14 1vln s THR 150 CO 0.00 -0.67 0.00 0.47 -0.54 0.00 0.00 174.62 173.88 1vln n ASP 151 N 14.31 -3.87 -0.71 3.99 9.92 -1.26 -2.10 116.55 136.83 1vln n ASP 151 Ca 0.32 0.18 -0.08 0.00 -0.53 0.00 0.00 54.79 54.67 1vln n ASP 151 Cb 0.50 -2.12 -0.03 0.00 -0.64 0.00 0.00 41.12 38.83 1vln n ASP 151 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1vln n GLY 152 N -1.97 0.81 3.61 0.44 0.00 -0.44 -4.98 105.19 102.67 1vln n GLY 152 Ca -0.08 -0.64 -0.28 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.85 3.85 -0.25 1.61 0.01 -0.89 -0.96 114.94 115.45 1vln s ASN 153 Ca 0.00 -1.35 -0.07 0.00 -0.71 0.00 0.00 52.86 50.73 1vln s ASN 153 Cb 0.00 -0.39 -0.02 0.00 0.41 0.00 0.00 41.25 41.25 1vln s ASN 153 CO 0.00 -0.43 0.05 -0.22 -1.51 0.00 0.00 177.10 174.99 1vln s LEU 154 N -3.70 3.37 -0.40 0.60 2.96 -0.97 -1.79 118.68 118.75 1vln s LEU 154 Ca 0.35 -0.28 -0.11 0.00 -0.22 0.00 0.00 54.13 53.87 1vln s LEU 154 Cb 0.09 -1.89 0.05 0.00 0.50 0.00 0.00 46.19 44.94 1vln s LEU 154 CO 0.18 -0.04 0.24 -1.61 -1.32 0.00 0.00 176.35 173.79 1vln s GLU 155 N 1.58 2.78 0.22 1.98 0.41 0.42 -0.63 118.70 125.47 1vln s GLU 155 Ca 0.06 -1.21 0.01 0.00 -0.41 0.00 0.00 54.97 53.42 1vln s GLU 155 Cb -0.15 -3.79 0.21 0.00 -1.78 0.00 0.00 34.13 28.62 1vln s GLU 155 CO 0.02 -0.80 1.55 -0.07 -0.49 0.00 0.00 175.26 175.47 1vln h LEU 156 N 8.46 0.42 -9.28 1.80 3.38 -1.56 -1.70 115.31 116.83 1vln h LEU 156 Ca -0.25 -0.23 -0.56 0.00 0.09 0.00 0.00 57.88 56.93 1vln h LEU 156 Cb 1.10 -0.12 -0.14 0.00 0.09 0.00 0.00 40.66 41.59 1vln h LEU 156 CO 0.71 0.90 -0.68 0.42 0.09 0.00 0.00 178.44 179.88 1vln s THR 157 N -3.89 1.98 0.21 0.22 -4.23 -1.26 -2.94 115.64 105.73 1vln s THR 157 Ca -0.05 -2.18 -0.31 0.00 -1.18 0.00 0.00 61.69 57.97 1vln s THR 157 Cb 0.12 -2.54 -0.10 0.00 1.34 0.00 0.00 72.50 71.32 1vln s THR 157 CO 0.81 -0.26 1.53 -0.60 -0.54 0.00 0.00 174.62 175.57 1vln s ARG 158 N -3.66 4.22 -0.05 3.99 6.06 -1.26 -4.81 118.95 123.43 1vln s ARG 158 Ca 0.31 2.37 0.01 0.00 -2.50 0.00 0.00 55.73 55.92 1vln s ARG 158 Cb 0.03 -3.12 0.02 0.00 0.06 0.00 0.00 34.95 31.93 1vln s ARG 158 CO 0.14 -0.55 -0.05 0.08 -2.50 0.00 0.00 175.30 172.42 1vln s VAL 159 N 0.63 0.63 0.56 7.11 1.01 -1.26 -1.67 120.40 127.41 1vln s VAL 159 Ca 0.66 -0.17 -0.15 0.00 0.00 0.00 0.00 61.98 62.32 1vln s VAL 159 Cb -0.44 -0.64 -0.06 0.00 0.00 0.00 0.00 36.38 35.24 1vln s VAL 159 CO 0.37 0.25 1.01 -0.94 0.00 0.00 0.00 175.10 175.78 1vln s SER 160 N 0.93 6.43 0.26 3.32 1.04 0.94 -4.86 113.70 121.75 1vln s SER 160 Ca -0.11 1.54 0.09 0.00 0.48 0.00 0.00 55.95 57.95 1vln s SER 160 Cb -0.14 -2.50 0.80 0.00 0.10 0.00 0.00 66.02 64.28 1vln s SER 160 CO 0.00 -0.73 1.19 -1.54 0.98 0.00 0.00 173.24 173.14 1vln n SER 161 N -2.01 0.09 -0.58 7.02 3.41 -1.26 0.79 113.62 121.08 1vln n SER 161 Ca 0.07 1.27 0.00 0.00 -0.26 0.00 0.00 58.87 59.94 1vln n SER 161 Cb 0.54 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1vln n SER 161 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1vln n ASN 162 N -4.87 1.27 -0.68 4.04 6.94 -1.26 -4.81 115.26 115.89 1vln n ASN 162 Ca 0.23 -1.96 -0.09 0.00 -0.02 0.00 0.00 54.58 52.75 1vln n ASN 162 Cb 0.78 -0.49 -0.04 0.00 -2.36 0.00 0.00 39.78 37.67 1vln n ASN 162 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1vln n GLY 163 N 0.09 1.04 3.70 4.83 0.00 0.24 -5.00 105.19 110.09 1vln n GLY 163 Ca 0.00 -0.44 -0.38 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.73 6.59 0.90 1.61 0.01 -1.08 -4.83 113.70 114.16 1vln s SER 164 Ca 0.00 0.70 -0.11 0.00 1.31 0.00 0.00 55.95 57.85 1vln s SER 164 Cb 0.00 -2.27 0.13 0.00 0.21 0.00 0.00 66.02 64.09 1vln s SER 164 CO 0.00 -0.03 1.10 -2.16 0.41 0.00 0.00 173.24 172.55 1vln s PRO 165 N 0.90 1.24 0.21 12.44 0.04 -1.26 -0.04 135.00 148.53 1vln s PRO 165 Ca 0.23 1.10 0.09 0.00 0.04 0.00 0.00 61.00 62.46 1vln s PRO 165 Cb -0.15 -1.79 -0.05 0.00 0.04 0.00 0.00 34.50 32.56 1vln s PRO 165 CO 0.09 -2.34 -0.17 -0.65 0.04 0.00 0.00 177.00 173.97 1vln s GLN 166 N -4.80 1.41 0.53 4.56 -1.52 -0.67 -4.77 119.66 114.40 1vln s GLN 166 Ca 0.64 -1.59 0.04 0.00 -1.95 0.00 0.00 55.36 52.50 1vln s GLN 166 Cb -0.20 -1.36 0.04 0.00 -0.22 0.00 0.00 33.01 31.28 1vln s GLN 166 CO 0.58 0.25 0.74 0.20 -0.25 0.00 0.00 175.29 176.81 1vln s GLY 167 N -3.18 1.85 -1.53 3.09 0.00 -1.26 -4.50 107.32 101.79 1vln s GLY 167 Ca 0.23 -1.54 -0.14 0.00 0.00 0.00 0.00 44.72 43.26 1vln s GLY 167 CO 0.09 -1.24 0.76 1.44 0.00 0.00 0.00 173.10 174.15 1vln n SER 168 N -2.24 -3.96 -4.64 1.64 7.64 -0.21 -4.84 113.62 107.01 1vln n SER 168 Ca 0.09 -0.74 -0.30 0.00 1.01 0.00 0.00 58.87 58.93 1vln n SER 168 Cb 0.60 -3.22 -0.09 0.00 -1.01 0.00 0.00 64.21 60.49 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 -3.11 4.73 -0.05 6.43 0.15 -1.10 -4.94 113.70 115.82 1vln s SER 169 Ca 0.62 -0.29 -0.08 0.00 0.70 0.00 0.00 55.95 56.90 1vln s SER 169 Cb -0.33 -1.02 0.01 0.00 -1.71 0.00 0.00 66.02 62.98 1vln s SER 169 CO 0.76 0.17 0.20 -0.69 1.20 0.00 0.00 173.24 174.88 1vln s VAL 170 N -1.29 0.03 0.00 4.45 1.01 -1.26 -1.45 120.40 121.90 1vln s VAL 170 Ca 0.24 -0.27 -0.29 0.00 0.00 0.00 0.00 61.98 61.66 1vln s VAL 170 Cb -0.11 -0.37 0.07 0.00 0.00 0.00 0.00 36.38 35.97 1vln s VAL 170 CO 0.16 -0.15 0.67 -0.83 0.00 0.00 0.00 175.10 174.96 1vln s GLY 171 N -0.51 -0.58 -0.02 4.51 0.00 -1.00 0.32 107.32 110.04 1vln s GLY 171 Ca -0.06 1.12 -0.07 0.00 0.00 0.00 0.00 44.72 45.71 1vln s GLY 171 CO 0.01 0.74 0.16 0.50 0.00 0.00 0.00 173.10 174.51 1vln s ARG 172 N -1.90 0.40 -0.10 2.90 0.52 -0.04 -1.89 118.95 118.84 1vln s ARG 172 Ca -0.07 -0.17 -0.00 0.00 -0.52 0.00 0.00 55.73 54.96 1vln s ARG 172 Cb -0.00 0.17 0.02 0.00 0.52 0.00 0.00 34.95 35.66 1vln s ARG 172 CO 0.03 -0.09 -0.08 0.00 0.02 0.00 0.00 175.30 175.19 1vln s ALA 173 N -0.88 1.25 -0.00 2.13 0.00 -0.55 0.39 121.76 124.09 1vln s ALA 173 Ca -0.10 -0.48 0.07 0.00 0.00 0.00 0.00 51.96 51.45 1vln s ALA 173 Cb -0.05 -0.83 -0.02 0.00 0.00 0.00 0.00 23.12 22.22 1vln s ALA 173 CO 0.01 -0.32 -0.21 -0.51 0.00 0.00 0.00 175.76 174.73 1vln s LEU 174 N 1.53 2.07 0.36 0.00 1.02 -0.08 -0.98 118.68 122.60 1vln s LEU 174 Ca 0.01 -0.41 -0.28 0.00 0.02 0.00 0.00 54.13 53.48 1vln s LEU 174 Cb -0.13 -1.05 -0.10 0.00 0.02 0.00 0.00 46.19 44.93 1vln s LEU 174 CO -0.06 0.24 1.28 0.12 0.02 0.00 0.00 176.35 177.95 1vln s PHE 175 N -0.56 3.01 0.18 0.29 5.36 -0.93 -0.20 117.98 125.13 1vln s PHE 175 Ca 0.08 1.44 -0.13 0.00 -0.96 0.00 0.00 56.93 57.36 1vln s PHE 175 Cb -0.08 -3.63 0.14 0.00 -0.34 0.00 0.00 43.02 39.11 1vln s PHE 175 CO -0.00 -1.80 1.77 -0.92 -1.46 0.00 0.00 175.22 172.81 1vln h TYR 176 N 3.13 0.40 -3.53 10.12 3.20 -1.49 -3.44 116.97 125.35 1vln h TYR 176 Ca -0.49 0.02 -0.53 0.00 3.14 0.00 0.00 58.73 60.88 1vln h TYR 176 Cb 1.23 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 39.37 1vln h TYR 176 CO 0.55 0.18 0.23 0.00 -1.64 0.00 0.00 178.16 177.47 1vln s ALA 177 N -6.13 3.38 0.61 1.82 0.00 -1.26 -5.05 121.76 115.13 1vln s ALA 177 Ca -0.13 0.41 -0.19 0.00 0.00 0.00 0.00 51.96 52.05 1vln s ALA 177 Cb 0.14 -3.06 -0.02 0.00 0.00 0.00 0.00 23.12 20.18 1vln s ALA 177 CO 0.73 0.16 1.27 -2.14 0.00 0.00 0.00 175.76 175.78 1vln s PRO 178 N -0.64 2.77 -0.11 0.00 0.02 -1.26 -4.85 135.00 130.93 1vln s PRO 178 Ca 0.39 2.00 0.04 0.00 0.02 0.00 0.00 61.00 63.45 1vln s PRO 178 Cb -0.23 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 32.37 1vln s PRO 178 CO 0.27 -1.41 -0.23 0.08 -0.33 0.00 0.00 177.00 175.38 1vln s VAL 179 N -1.45 2.08 -1.01 3.83 1.01 0.18 -4.94 120.40 120.10 1vln s VAL 179 Ca 0.79 -1.00 -0.21 0.00 0.00 0.00 0.00 61.98 61.56 1vln s VAL 179 Cb -0.35 -1.80 0.09 0.00 0.00 0.00 0.00 36.38 34.31 1vln s VAL 179 CO 0.38 0.56 1.34 -2.28 0.00 0.00 0.00 175.10 175.10 1vln s HIS 180 N 0.43 2.80 0.14 5.22 2.46 -1.26 -1.49 115.29 123.60 1vln s HIS 180 Ca -0.16 -1.14 0.14 0.00 0.47 0.00 0.00 55.06 54.37 1vln s HIS 180 Cb -0.17 -4.53 0.38 0.00 -0.13 0.00 0.00 32.58 28.12 1vln s HIS 180 CO 0.07 -1.74 1.60 0.97 -2.47 0.00 0.00 174.74 173.16 1vln h ILE 181 N 6.29 1.15 -3.21 0.89 6.09 -1.67 -3.46 117.51 123.58 1vln h ILE 181 Ca 0.20 -2.05 -0.07 0.00 -1.37 0.00 0.00 64.86 61.58 1vln h ILE 181 Cb 1.00 2.19 -0.15 0.00 0.47 0.00 0.00 36.82 40.33 1vln h ILE 181 CO 1.30 0.54 -0.09 -1.66 -3.07 0.00 0.00 178.15 175.16 1vln s TRP 182 N -3.39 -0.23 -0.19 2.19 1.48 -1.23 -4.79 118.94 112.77 1vln s TRP 182 Ca 0.00 0.05 -0.17 0.00 -1.06 0.00 0.00 56.10 54.92 1vln s TRP 182 Cb 0.11 0.23 0.05 0.00 -1.16 0.00 0.00 33.47 32.70 1vln s TRP 182 CO 0.73 -0.63 0.51 -2.00 -4.06 0.00 0.00 176.95 171.50 1vln s GLU 183 N -3.13 0.59 0.54 3.25 -6.30 -1.26 -4.77 118.70 107.62 1vln s GLU 183 Ca -0.01 0.71 0.30 0.00 -2.50 0.00 0.00 54.97 53.47 1vln s GLU 183 Cb 0.01 0.28 1.52 0.00 0.00 0.00 0.00 34.13 35.93 1vln s GLU 183 CO -0.07 -0.07 2.07 0.66 0.02 0.00 0.00 175.26 177.87 1vln h SER 184 N 5.39 0.00 -0.47 -1.70 4.64 -2.02 -2.75 113.55 116.64 1vln h SER 184 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1vln h SER 184 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1vln h SER 184 CO 0.19 0.09 0.00 -1.20 -0.87 0.00 0.00 176.83 175.04 1vln n SER 185 N -3.45 2.69 -4.73 4.97 7.64 -1.26 -4.94 113.62 114.55 1vln n SER 185 Ca -0.01 -2.05 -0.41 0.00 1.01 0.00 0.00 58.87 57.41 1vln n SER 185 Cb 0.25 -0.35 -0.04 0.00 -1.01 0.00 0.00 64.21 63.06 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 -1.43 3.27 0.02 -0.43 0.00 -1.04 -2.95 121.76 119.20 1vln s ALA 186 Ca 0.32 0.39 -0.15 0.00 0.00 0.00 0.00 51.96 52.52 1vln s ALA 186 Cb 0.17 -3.15 -0.35 0.00 0.00 0.00 0.00 23.12 19.79 1vln s ALA 186 CO 0.21 -0.08 0.95 0.28 0.00 0.00 0.00 175.76 177.12 1vln h VAL 187 N 4.43 1.24 -2.98 0.00 2.07 -0.79 -3.47 116.25 116.75 1vln h VAL 187 Ca -0.42 -2.67 -0.13 0.00 0.82 0.00 0.00 66.70 64.30 1vln h VAL 187 Cb 1.21 3.01 -0.22 0.00 -1.52 0.00 0.00 31.29 33.77 1vln h VAL 187 CO 0.73 0.81 -0.29 -0.69 0.02 0.00 0.00 177.57 178.15 1vln s VAL 188 N -2.59 0.03 0.01 2.57 1.01 -1.18 -4.93 120.40 115.33 1vln s VAL 188 Ca -0.10 -0.27 -0.06 0.00 0.00 0.00 0.00 61.98 61.55 1vln s VAL 188 Cb 0.04 -0.56 -0.00 0.00 0.00 0.00 0.00 36.38 35.86 1vln s VAL 188 CO 0.93 -0.15 0.10 0.00 0.00 0.00 0.00 175.10 175.98 1vln s ALA 189 N -0.69 -0.20 -0.17 5.51 0.00 -1.26 -1.12 121.76 123.83 1vln s ALA 189 Ca -0.08 -0.28 -0.32 0.00 0.00 0.00 0.00 51.96 51.28 1vln s ALA 189 Cb -0.04 0.14 0.14 0.00 0.00 0.00 0.00 23.12 23.36 1vln s ALA 189 CO 0.03 -0.21 1.13 -1.54 0.00 0.00 0.00 175.76 175.16 1vln s SER 190 N -1.51 -0.21 0.06 0.00 1.04 -1.09 -1.32 113.70 110.67 1vln s SER 190 Ca -0.14 0.10 -0.05 0.00 0.48 0.00 0.00 55.95 56.35 1vln s SER 190 Cb -0.07 0.20 -0.02 0.00 0.10 0.00 0.00 66.02 66.23 1vln s SER 190 CO 0.00 -0.29 0.07 0.72 0.98 0.00 0.00 173.24 174.72 1vln s PHE 191 N -2.00 0.33 -0.03 5.02 -0.12 -0.63 -1.95 117.98 118.60 1vln s PHE 191 Ca 0.06 -0.79 -0.01 0.00 -0.05 0.00 0.00 56.93 56.14 1vln s PHE 191 Cb -0.01 -0.22 0.02 0.00 -0.63 0.00 0.00 43.02 42.18 1vln s PHE 191 CO -0.04 -0.43 0.07 -2.00 -0.05 0.00 0.00 175.22 172.76 1vln s GLU 192 N -3.64 0.03 0.01 1.99 2.12 -0.56 -1.80 118.70 116.85 1vln s GLU 192 Ca 0.04 0.19 0.04 0.00 0.36 0.00 0.00 54.97 55.59 1vln s GLU 192 Cb 0.05 -0.12 -0.01 0.00 0.26 0.00 0.00 34.13 34.31 1vln s GLU 192 CO -0.09 -0.10 -0.11 0.00 -0.54 0.00 0.00 175.26 174.41 1vln s ALA 193 N 0.67 0.95 -0.09 6.30 0.00 0.13 -2.35 121.76 127.37 1vln s ALA 193 Ca -0.05 -0.58 -0.09 0.00 0.00 0.00 0.00 51.96 51.24 1vln s ALA 193 Cb -0.07 -0.20 0.02 0.00 0.00 0.00 0.00 23.12 22.87 1vln s ALA 193 CO -0.02 0.21 0.24 0.99 0.00 0.00 0.00 175.76 177.17 1vln s THR 194 N -0.48 0.00 -0.04 0.00 2.01 -0.84 -0.92 115.64 115.38 1vln s THR 194 Ca 0.03 -0.04 -0.21 0.00 0.31 0.00 0.00 61.69 61.78 1vln s THR 194 Cb -0.05 -0.36 0.04 0.00 0.01 0.00 0.00 72.50 72.14 1vln s THR 194 CO 0.00 -0.02 0.46 0.72 -0.69 0.00 0.00 174.62 175.09 1vln s PHE 195 N 0.03 -0.38 -0.02 4.92 -0.71 -0.97 -1.22 117.98 119.63 1vln s PHE 195 Ca -0.01 0.66 0.01 0.00 -1.04 0.00 0.00 56.93 56.55 1vln s PHE 195 Cb -0.02 0.22 -0.03 0.00 -1.21 0.00 0.00 43.02 41.97 1vln s PHE 195 CO 0.00 -0.46 -0.02 0.95 -1.34 0.00 0.00 175.22 174.35 1vln s THR 196 N -1.16 3.99 0.08 -4.49 -4.23 -1.02 -1.38 115.64 107.43 1vln s THR 196 Ca -0.12 -0.59 -0.00 0.00 -1.18 0.00 0.00 61.69 59.81 1vln s THR 196 Cb -0.03 -2.74 -0.04 0.00 1.34 0.00 0.00 72.50 71.03 1vln s THR 196 CO 0.06 0.44 -0.03 0.72 -0.54 0.00 0.00 174.62 175.27 1vln s PHE 197 N -1.00 0.70 -0.18 3.99 -0.71 -0.22 -1.58 117.98 118.98 1vln s PHE 197 Ca 0.17 -1.04 -0.03 0.00 -1.04 0.00 0.00 56.93 54.99 1vln s PHE 197 Cb -0.11 -0.45 0.06 0.00 -1.21 0.00 0.00 43.02 41.30 1vln s PHE 197 CO 0.07 -0.32 0.04 -1.17 -1.34 0.00 0.00 175.22 172.50 1vln s LEU 198 N -2.98 1.01 -0.32 -1.99 2.96 -0.40 -0.99 118.68 115.97 1vln s LEU 198 Ca 0.11 -0.70 -0.02 0.00 -0.22 0.00 0.00 54.13 53.29 1vln s LEU 198 Cb 0.07 -0.54 0.06 0.00 0.50 0.00 0.00 46.19 46.28 1vln s LEU 198 CO -0.06 -0.30 0.03 -0.63 -1.32 0.00 0.00 176.35 174.07 1vln s ILE 199 N 1.90 3.10 -0.07 6.68 1.01 -1.25 -2.42 121.20 130.15 1vln s ILE 199 Ca 0.00 -1.44 0.01 0.00 0.00 0.00 0.00 60.65 59.23 1vln s ILE 199 Cb -0.16 -2.82 0.02 0.00 0.01 0.00 0.00 42.46 39.50 1vln s ILE 199 CO -0.08 -0.18 -0.09 -1.59 0.00 0.00 0.00 174.94 173.00 1vln s LYS 200 N 1.25 1.43 -0.30 2.79 -2.85 -1.24 -1.33 119.74 119.50 1vln s LYS 200 Ca -0.03 -0.30 -0.00 0.00 -1.00 0.00 0.00 55.97 54.63 1vln s LYS 200 Cb -0.20 -1.28 0.06 0.00 -2.06 0.00 0.00 37.83 34.35 1vln s LYS 200 CO -0.01 -0.05 -0.01 0.45 0.10 0.00 0.00 175.35 175.83 1vln s SER 201 N 0.90 4.80 0.46 0.03 0.15 -1.26 -1.60 113.70 117.19 1vln s SER 201 Ca -0.11 -1.39 0.17 0.00 0.70 0.00 0.00 55.95 55.32 1vln s SER 201 Cb -0.15 -1.68 1.13 0.00 -1.71 0.00 0.00 66.02 63.61 1vln s SER 201 CO 0.01 -0.27 1.99 1.55 1.20 0.00 0.00 173.24 177.73 1vln h PRO 202 N 7.93 0.28 0.00 5.44 0.13 -1.97 0.15 132.00 143.96 1vln h PRO 202 Ca -0.19 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1vln h PRO 202 Cb 1.05 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1vln h PRO 202 CO 0.52 0.18 0.00 -0.25 -0.23 0.00 0.00 178.00 178.23 1vln n ASP 203 N -4.46 0.12 -3.24 1.44 9.92 -1.26 -4.91 116.55 114.17 1vln n ASP 203 Ca 0.09 0.51 -0.20 0.00 -0.53 0.00 0.00 54.79 54.66 1vln n ASP 203 Cb 0.41 -0.55 0.07 0.00 -0.64 0.00 0.00 41.12 40.41 1vln n ASP 203 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1vln n SER 204 N -1.62 -5.31 -2.91 -2.24 7.64 0.54 -4.95 113.62 104.76 1vln n SER 204 Ca 0.06 -0.49 -0.13 0.00 1.01 0.00 0.00 58.87 59.32 1vln n SER 204 Cb 0.33 -4.55 0.00 0.00 -1.01 0.00 0.00 64.21 58.99 1vln n SER 204 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1vln n HIS 205 N -4.59 -2.41 -1.91 1.43 -0.00 -1.26 -5.09 115.22 101.39 1vln n HIS 205 Ca -0.03 -2.32 -0.34 0.00 -0.00 0.00 0.00 57.72 55.03 1vln n HIS 205 Cb 0.57 0.93 0.03 0.00 -0.00 0.00 0.00 29.99 31.53 1vln n HIS 205 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 1vln s PRO 206 N 0.14 2.95 -0.27 1.57 0.04 -1.26 -4.08 135.00 134.09 1vln s PRO 206 Ca 0.33 1.49 -0.27 0.00 0.04 0.00 0.00 61.00 62.58 1vln s PRO 206 Cb 0.18 -1.96 0.17 0.00 0.04 0.00 0.00 34.50 32.93 1vln s PRO 206 CO -0.19 -1.15 1.30 0.00 0.04 0.00 0.00 177.00 177.01 1vln s ALA 207 N -2.12 -2.12 -0.05 8.56 0.00 -1.25 -4.26 121.76 120.52 1vln s ALA 207 Ca 0.69 1.77 0.04 0.00 0.00 0.00 0.00 51.96 54.46 1vln s ALA 207 Cb -0.22 -1.50 -0.06 0.00 0.00 0.00 0.00 23.12 21.33 1vln s ALA 207 CO 0.37 -0.19 0.01 -0.25 0.00 0.00 0.00 175.76 175.69 1vln n ASP 208 N 1.18 3.67 0.00 0.00 8.00 0.88 -2.99 116.55 127.29 1vln n ASP 208 Ca -0.07 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.42 1vln n ASP 208 Cb 0.58 0.53 0.00 0.00 -0.02 0.00 0.00 41.12 42.20 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 2.74 1.96 3.45 0.44 0.00 -1.19 -1.42 105.19 111.17 1vln n GLY 209 Ca -0.09 -1.39 -0.28 0.00 0.00 0.00 0.00 46.02 44.25 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 -1.92 2.55 -0.07 -0.61 1.01 -0.98 -2.44 121.20 118.74 1vln s ILE 210 Ca 0.00 -1.73 -0.07 0.00 0.00 0.00 0.00 60.65 58.85 1vln s ILE 210 Cb 0.00 -2.18 0.02 0.00 0.01 0.00 0.00 42.46 40.31 1vln s ILE 210 CO 0.00 0.03 0.19 0.00 0.00 0.00 0.00 174.94 175.16 1vln s ALA 211 N -1.28 -0.47 -0.20 9.38 0.00 0.92 -0.11 121.76 130.00 1vln s ALA 211 Ca 0.18 0.55 -0.13 0.00 0.00 0.00 0.00 51.96 52.56 1vln s ALA 211 Cb -0.10 -0.32 -0.05 0.00 0.00 0.00 0.00 23.12 22.65 1vln s ALA 211 CO 0.09 -0.09 0.26 0.12 0.00 0.00 0.00 175.76 176.14 1vln s PHE 212 N 0.15 3.39 0.14 0.00 5.36 -0.51 -0.83 117.98 125.68 1vln s PHE 212 Ca -0.00 0.46 0.03 0.00 -0.96 0.00 0.00 56.93 56.46 1vln s PHE 212 Cb -0.02 -2.35 -0.04 0.00 -0.34 0.00 0.00 43.02 40.27 1vln s PHE 212 CO -0.00 0.12 -0.06 -0.59 -1.46 0.00 0.00 175.22 173.24 1vln s PHE 213 N 0.86 1.12 -0.08 10.12 -0.71 -0.42 -1.27 117.98 127.61 1vln s PHE 213 Ca 0.14 -0.89 0.02 0.00 -1.04 0.00 0.00 56.93 55.15 1vln s PHE 213 Cb -0.13 -0.62 0.02 0.00 -1.21 0.00 0.00 43.02 41.07 1vln s PHE 213 CO 0.04 -0.09 -0.12 0.42 -1.34 0.00 0.00 175.22 174.14 1vln s ILE 214 N -3.53 1.14 0.33 -4.49 1.01 -0.16 -1.15 121.20 114.35 1vln s ILE 214 Ca 0.17 -0.46 0.07 0.00 0.00 0.00 0.00 60.65 60.43 1vln s ILE 214 Cb 0.05 -1.06 -0.03 0.00 0.01 0.00 0.00 42.46 41.43 1vln s ILE 214 CO -0.00 0.36 0.30 -1.54 0.00 0.00 0.00 174.94 174.06 1vln n SER 215 N 4.02 -0.76 -4.78 3.58 3.41 -0.30 -2.29 113.62 116.50 1vln n SER 215 Ca -0.21 -3.16 -0.34 0.00 -0.26 0.00 0.00 58.87 54.90 1vln n SER 215 Cb 0.51 1.74 0.01 0.00 -0.26 0.00 0.00 64.21 66.21 1vln n SER 215 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1vln s ASN 216 N -3.31 5.72 0.33 4.04 4.22 -1.24 -0.67 114.94 124.04 1vln s ASN 216 Ca 0.39 2.05 0.13 0.00 -2.14 0.00 0.00 52.86 53.29 1vln s ASN 216 Cb 0.02 -2.57 1.01 0.00 1.28 0.00 0.00 41.25 40.99 1vln s ASN 216 CO 0.28 -1.21 1.69 0.40 -2.04 0.00 0.00 177.10 176.22 1vln h ILE 217 N 0.94 0.40 -0.84 0.54 2.04 -1.85 -2.53 117.51 116.22 1vln h ILE 217 Ca -0.49 -0.15 -0.45 0.00 1.00 0.00 0.00 64.86 64.78 1vln h ILE 217 Cb 1.25 -0.07 -0.26 0.00 -0.74 0.00 0.00 36.82 37.00 1vln h ILE 217 CO 0.57 0.08 0.47 -0.90 0.00 0.00 0.00 178.15 178.37 1vln n ASP 218 N -4.97 3.68 -4.78 1.72 5.68 -1.26 -4.85 116.55 111.77 1vln n ASP 218 Ca 0.30 -3.67 -0.41 0.00 -0.50 0.00 0.00 54.79 50.51 1vln n ASP 218 Cb 0.89 -0.79 -0.01 0.00 -1.14 0.00 0.00 41.12 40.07 1vln n ASP 218 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1vln s SER 219 N -1.67 6.47 0.15 -1.12 0.15 -0.95 -5.03 113.70 111.69 1vln s SER 219 Ca 0.54 2.93 0.01 0.00 0.70 0.00 0.00 55.95 60.13 1vln s SER 219 Cb 0.46 -2.66 -0.04 0.00 -1.71 0.00 0.00 66.02 62.07 1vln s SER 219 CO 0.07 -0.77 0.02 -0.94 1.20 0.00 0.00 173.24 172.82 1vln s SER 220 N -0.27 0.85 0.11 5.45 1.04 -1.26 -5.08 113.70 114.55 1vln s SER 220 Ca 0.52 -1.17 -0.31 0.00 0.48 0.00 0.00 55.95 55.46 1vln s SER 220 Cb -0.44 0.18 -0.09 0.00 0.10 0.00 0.00 66.02 65.77 1vln s SER 220 CO 0.60 -0.63 1.66 -0.63 0.98 0.00 0.00 173.24 175.22 1vln s ILE 221 N -3.81 2.77 0.46 -1.02 1.01 -1.26 -4.97 121.20 114.38 1vln s ILE 221 Ca 0.23 0.37 -0.23 0.00 0.00 0.00 0.00 60.65 61.02 1vln s ILE 221 Cb 0.07 -3.24 -0.07 0.00 0.01 0.00 0.00 42.46 39.22 1vln s ILE 221 CO 0.02 0.01 1.16 -2.84 0.00 0.00 0.00 174.94 173.29 1vln s PRO 222 N 2.14 3.75 0.19 2.79 0.02 -1.26 -4.96 135.00 137.67 1vln s PRO 222 Ca 0.74 1.75 -0.31 0.00 0.02 0.00 0.00 61.00 63.20 1vln s PRO 222 Cb -0.43 -2.39 -0.10 0.00 0.02 0.00 0.00 34.50 31.61 1vln s PRO 222 CO 0.33 -0.55 1.53 -1.12 -0.33 0.00 0.00 177.00 176.85 1vln s SER 223 N -1.39 6.60 -1.04 2.53 0.01 -1.26 -2.90 113.70 116.25 1vln s SER 223 Ca 0.64 2.63 -0.04 0.00 1.31 0.00 0.00 55.95 60.49 1vln s SER 223 Cb -0.28 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.35 1vln s SER 223 CO 0.34 -0.79 0.89 0.61 0.41 0.00 0.00 173.24 174.70 1vln n GLY 224 N 3.27 -0.23 1.03 3.44 0.00 -1.26 -4.79 105.19 106.65 1vln n GLY 224 Ca 0.12 0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.25 1vln n GLY 224 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1vln n SER 225 N -2.39 3.93 -4.76 1.61 3.41 -1.14 -4.82 113.62 109.46 1vln n SER 225 Ca -0.10 -2.61 -0.31 0.00 -0.26 0.00 0.00 58.87 55.59 1vln n SER 225 Cb 0.59 -0.47 0.10 0.00 -0.26 0.00 0.00 64.21 64.16 1vln n SER 225 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1vln s THR 226 N -2.12 3.19 0.00 6.66 2.01 -1.26 -0.99 115.64 123.13 1vln s THR 226 Ca 0.40 0.39 0.00 0.00 0.31 0.00 0.00 61.69 62.78 1vln s THR 226 Cb 0.28 -2.86 0.00 0.00 0.01 0.00 0.00 72.50 69.93 1vln s THR 226 CO 0.14 -0.51 0.00 0.61 -0.69 0.00 0.00 174.62 174.18 1vln n GLY 227 N -1.16 2.12 0.34 4.40 0.00 -1.04 -3.61 105.19 106.25 1vln n GLY 227 Ca 0.09 -0.37 0.16 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.07 1.61 0.11 -1.90 -1.96 114.38 112.16 1vln h ARG 228 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1vln h ARG 228 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1vln h ARG 228 CO 0.00 0.00 0.00 1.28 0.10 0.00 0.00 179.97 181.35 1vln n LEU 229 N -2.93 1.69 -0.90 0.08 4.77 -1.24 -4.96 117.00 113.52 1vln n LEU 229 Ca -0.02 -0.62 -0.07 0.00 -0.03 0.00 0.00 56.01 55.27 1vln n LEU 229 Cb 0.35 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 1vln n LEU 229 CO 0.14 0.31 -0.07 0.18 -1.33 0.00 0.00 177.39 176.63 1vln n LEU 230 N 0.33 -0.36 0.00 2.23 4.77 -0.74 -1.07 117.00 122.16 1vln n LEU 230 Ca 0.18 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1vln n LEU 230 Cb 0.37 -1.57 0.00 0.00 -2.33 0.00 0.00 43.42 39.89 1vln n LEU 230 CO 0.15 -0.50 0.00 0.61 -1.33 0.00 0.00 177.39 176.32 1vln n GLY 231 N 0.01 0.48 0.15 -0.72 0.00 -0.17 -4.06 105.19 100.89 1vln n GLY 231 Ca -0.07 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 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 2.68 -4.55 0.99 4.77 -0.23 -4.31 117.00 116.35 1vln n LEU 232 Ca 0.00 -0.03 -0.27 0.00 -0.03 0.00 0.00 56.01 55.68 1vln n LEU 232 Cb 0.03 -0.64 -0.10 0.00 -2.33 0.00 0.00 43.42 40.38 1vln n LEU 232 CO 0.00 0.74 -0.43 -0.36 -1.33 0.00 0.00 177.39 176.01 1vln s PHE 233 N -2.37 2.59 -1.39 -1.77 0.08 -1.18 -4.81 117.98 109.13 1vln s PHE 233 Ca -0.25 -0.24 0.25 0.00 0.12 0.00 0.00 56.93 56.81 1vln s PHE 233 Cb 0.07 -1.28 0.57 0.00 -0.57 0.00 0.00 43.02 41.81 1vln s PHE 233 CO 0.41 0.50 1.45 -0.35 -0.10 0.00 0.00 175.22 177.13 1vln n PRO 234 N 0.12 0.43 -3.92 0.24 -0.04 -1.26 -4.46 135.00 126.10 1vln n PRO 234 Ca -0.11 -0.27 -0.11 0.00 -0.04 0.00 0.00 63.50 62.98 1vln n PRO 234 Cb 0.55 -1.49 -0.01 0.00 -0.04 0.00 0.00 33.50 32.51 1vln n PRO 234 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1vln s ASP 235 N -2.75 0.26 -0.13 3.54 1.47 -1.26 -4.86 116.67 112.94 1vln s ASP 235 Ca 0.17 -1.18 0.16 0.00 1.18 0.00 0.00 52.55 52.88 1vln s ASP 235 Cb 0.18 0.76 0.65 0.00 -0.34 0.00 0.00 42.92 44.17 1vln s ASP 235 CO 0.62 -1.48 1.57 0.00 0.68 0.00 0.00 175.17 176.55 1vln n ALA 236 N -0.52 3.08 0.83 2.11 0.00 -1.26 -4.78 120.51 119.97 1vln n ALA 236 Ca -0.04 -1.74 0.07 0.00 0.00 0.00 0.00 53.44 51.72 1vln n ALA 236 Cb 0.61 -0.90 0.39 0.00 0.00 0.00 0.00 19.45 19.55 1vln n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59