#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 3.36 -4.58 0.00 9.92 -1.26 -4.98 116.55 119.01 1vln n ASP 2 Ca 0.00 1.18 -0.35 0.00 -0.53 0.00 0.00 54.79 55.09 1vln n ASP 2 Cb 0.00 -1.58 -0.11 0.00 -0.64 0.00 0.00 41.12 38.79 1vln n ASP 2 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1vln s THR 3 N -1.15 4.57 -0.04 -3.53 2.01 -1.26 -5.04 115.64 111.20 1vln s THR 3 Ca 0.57 -0.11 0.01 0.00 0.31 0.00 0.00 61.69 62.48 1vln s THR 3 Cb -0.48 -3.06 0.02 0.00 0.01 0.00 0.00 72.50 68.98 1vln s THR 3 CO 0.61 0.45 -0.06 -0.63 -0.69 0.00 0.00 174.62 174.30 1vln s ILE 4 N 0.56 0.61 -0.11 1.82 -1.09 -1.26 -3.45 121.20 118.27 1vln s ILE 4 Ca 0.02 -0.19 0.01 0.00 -2.23 0.00 0.00 60.65 58.26 1vln s ILE 4 Cb -0.13 -0.60 0.02 0.00 -1.58 0.00 0.00 42.46 40.17 1vln s ILE 4 CO 0.01 0.23 -0.12 -0.69 -1.23 0.00 0.00 174.94 173.14 1vln s VAL 5 N 0.71 1.31 0.11 2.92 1.01 -0.88 -0.99 120.40 124.58 1vln s VAL 5 Ca -0.10 -0.50 -0.03 0.00 0.00 0.00 0.00 61.98 61.35 1vln s VAL 5 Cb -0.13 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 1vln s VAL 5 CO 0.01 0.41 0.09 0.00 0.00 0.00 0.00 175.10 175.60 1vln s ALA 6 N 1.29 0.48 -0.26 5.51 0.00 -0.19 -1.01 121.76 127.59 1vln s ALA 6 Ca -0.01 -1.19 0.01 0.00 0.00 0.00 0.00 51.96 50.77 1vln s ALA 6 Cb -0.14 0.65 0.07 0.00 0.00 0.00 0.00 23.12 23.70 1vln s ALA 6 CO -0.05 -0.48 -0.04 0.08 0.00 0.00 0.00 175.76 175.26 1vln s VAL 7 N -3.97 1.70 0.04 0.00 1.01 -0.57 -0.60 120.40 118.00 1vln s VAL 7 Ca 0.16 -1.44 -0.09 0.00 0.00 0.00 0.00 61.98 60.60 1vln s VAL 7 Cb 0.07 -1.98 -0.05 0.00 0.00 0.00 0.00 36.38 34.41 1vln s VAL 7 CO -0.03 -0.18 0.35 -1.83 0.00 0.00 0.00 175.10 173.41 1vln s GLU 8 N 1.30 3.71 -0.75 2.72 -1.05 -0.48 -1.82 118.70 122.33 1vln s GLU 8 Ca -0.04 0.12 0.00 0.00 -0.15 0.00 0.00 54.97 54.90 1vln s GLU 8 Cb -0.19 -3.06 0.18 0.00 -0.44 0.00 0.00 34.13 30.62 1vln s GLU 8 CO -0.07 0.61 0.58 -0.51 0.95 0.00 0.00 175.26 176.82 1vln s LEU 9 N -1.72 5.17 -0.40 1.83 1.02 0.22 -1.91 118.68 122.89 1vln s LEU 9 Ca 0.29 -3.49 -0.27 0.00 0.02 0.00 0.00 54.13 50.69 1vln s LEU 9 Cb -0.14 -1.80 0.02 0.00 0.02 0.00 0.00 46.19 44.29 1vln s LEU 9 CO 0.16 -0.21 0.98 -0.62 0.02 0.00 0.00 176.35 176.69 1vln s ASP 10 N -0.31 6.68 0.01 2.29 -1.08 -0.37 -1.90 116.67 121.99 1vln s ASP 10 Ca 0.23 0.55 0.26 0.00 -0.52 0.00 0.00 52.55 53.07 1vln s ASP 10 Cb -0.11 -2.49 0.66 0.00 -1.46 0.00 0.00 42.92 39.51 1vln s ASP 10 CO -0.10 -0.96 1.52 0.35 0.52 0.00 0.00 175.17 176.50 1vln n THR 11 N 6.19 0.03 -4.66 1.71 -2.24 -0.77 -1.27 114.28 113.28 1vln n THR 11 Ca 0.08 -0.02 -0.25 0.00 -2.27 0.00 0.00 64.05 61.60 1vln n THR 11 Cb 0.48 0.06 -0.16 0.00 -2.10 0.00 0.00 70.33 68.60 1vln n THR 11 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1vln s TYR 12 N -3.01 1.51 -0.85 4.78 5.04 -1.25 -4.66 117.35 118.90 1vln s TYR 12 Ca 0.11 -0.51 -0.25 0.00 -2.44 0.00 0.00 57.07 53.98 1vln s TYR 12 Cb 0.18 -1.07 0.04 0.00 0.35 0.00 0.00 41.96 41.45 1vln s TYR 12 CO 0.66 -0.23 1.36 -1.25 -1.34 0.00 0.00 175.55 174.76 1vln s PRO 13 N 0.43 3.34 -1.18 4.97 0.04 -1.26 -4.92 135.00 136.42 1vln s PRO 13 Ca -0.11 -0.58 -0.08 0.00 0.04 0.00 0.00 61.00 60.27 1vln s PRO 13 Cb -0.14 -4.67 0.23 0.00 0.04 0.00 0.00 34.50 29.97 1vln s PRO 13 CO 0.03 -2.20 1.55 0.09 0.04 0.00 0.00 177.00 176.51 1vln n ASN 14 N 9.28 5.63 0.32 6.66 4.13 -1.26 -4.81 115.26 135.21 1vln n ASN 14 Ca 0.16 -3.18 0.20 0.00 1.68 0.00 0.00 54.58 53.44 1vln n ASN 14 Cb 0.50 -1.41 1.06 0.00 -1.54 0.00 0.00 39.78 38.39 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 3.77 0.00 0.00 3.41 1.35 -1.85 -1.41 112.91 118.18 1vln h THR 15 Ca 0.28 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.14 1vln h THR 15 Cb 0.70 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 1vln h THR 15 CO 1.37 0.00 0.00 -2.24 -0.25 0.00 0.00 175.52 174.40 1vln h ASP 16 N 0.00 0.00 -0.09 5.36 2.03 -1.87 -2.36 116.42 119.50 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 0.17 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.67 1vln h ASP 16 CO 0.00 0.00 -0.02 2.30 -1.03 0.00 0.00 179.24 180.49 1vln n ILE 17 N -2.43 2.05 -0.14 4.15 -5.35 -0.55 -4.97 119.36 112.11 1vln n ILE 17 Ca 0.02 -2.20 0.00 0.00 -0.27 0.00 0.00 62.75 60.30 1vln n ILE 17 Cb 0.25 -0.25 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 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 -1.13 0.67 3.74 3.28 0.00 -0.89 -4.78 105.19 106.08 1vln n GLY 18 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1vln n GLY 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1vln s ASP 19 N -2.73 6.93 1.11 1.61 1.01 -1.08 -4.95 116.67 118.58 1vln s ASP 19 Ca 0.00 2.35 -0.13 0.00 0.71 0.00 0.00 52.55 55.48 1vln s ASP 19 Cb 0.00 -2.61 0.25 0.00 1.01 0.00 0.00 42.92 41.57 1vln s ASP 19 CO 0.00 -0.51 1.06 -2.16 0.21 0.00 0.00 175.17 173.77 1vln s PRO 20 N -0.03 -0.50 -1.33 8.23 0.04 -1.26 -3.90 135.00 136.25 1vln s PRO 20 Ca 0.56 0.57 -0.07 0.00 0.04 0.00 0.00 61.00 62.11 1vln s PRO 20 Cb -0.36 -1.62 0.12 0.00 0.04 0.00 0.00 34.50 32.68 1vln s PRO 20 CO 0.37 -3.38 2.29 0.43 0.04 0.00 0.00 177.00 176.76 1vln n SER 21 N -4.63 7.37 -3.65 6.66 7.64 -1.26 -4.68 113.62 121.07 1vln n SER 21 Ca 0.05 -3.11 -0.02 0.00 1.01 0.00 0.00 58.87 56.80 1vln n SER 21 Cb 0.56 -1.40 -0.02 0.00 -1.01 0.00 0.00 64.21 62.34 1vln n SER 21 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 1vln s TYR 22 N -0.61 -0.00 0.31 1.43 -0.85 -1.26 -5.05 117.35 111.31 1vln s TYR 22 Ca 0.51 0.00 -0.30 0.00 -0.52 0.00 0.00 57.07 56.77 1vln s TYR 22 Cb 0.16 0.50 -0.11 0.00 0.38 0.00 0.00 41.96 42.89 1vln s TYR 22 CO -0.07 -0.00 1.59 -2.14 -1.52 0.00 0.00 175.55 173.41 1vln s PRO 23 N -1.93 4.11 0.26 -3.49 0.02 -1.26 -4.63 135.00 128.07 1vln s PRO 23 Ca 0.12 2.60 0.02 0.00 0.02 0.00 0.00 61.00 63.76 1vln s PRO 23 Cb -0.01 -3.01 -0.03 0.00 0.02 0.00 0.00 34.50 31.47 1vln s PRO 23 CO -0.03 -0.64 0.21 -3.38 -0.33 0.00 0.00 177.00 172.84 1vln s HIS 24 N -0.17 1.35 -0.13 6.54 -3.43 -0.40 -1.32 115.29 117.74 1vln s HIS 24 Ca 0.62 -1.46 0.03 0.00 -0.80 0.00 0.00 55.06 53.44 1vln s HIS 24 Cb -0.48 -0.57 0.01 0.00 -1.43 0.00 0.00 32.58 30.11 1vln s HIS 24 CO 0.51 -0.76 -0.21 0.42 -2.00 0.00 0.00 174.74 172.69 1vln s ILE 25 N -3.84 1.98 0.10 -5.38 1.09 0.24 -1.23 121.20 114.16 1vln s ILE 25 Ca 0.39 -0.94 -0.02 0.00 -1.10 0.00 0.00 60.65 58.98 1vln s ILE 25 Cb 0.05 -1.75 -0.04 0.00 -1.06 0.00 0.00 42.46 39.66 1vln s ILE 25 CO 0.18 0.54 0.05 -0.83 -0.10 0.00 0.00 174.94 174.78 1vln s GLY 26 N 0.80 0.74 -0.23 6.18 0.00 -0.80 0.68 107.32 114.68 1vln s GLY 26 Ca -0.08 -1.31 -0.06 0.00 0.00 0.00 0.00 44.72 43.27 1vln s GLY 26 CO -0.01 -1.29 0.03 -0.42 0.00 0.00 0.00 173.10 171.41 1vln s ILE 27 N -3.99 4.01 -0.22 0.90 -1.09 -0.56 -1.38 121.20 118.87 1vln s ILE 27 Ca 0.17 -0.28 -0.04 0.00 -2.23 0.00 0.00 60.65 58.27 1vln s ILE 27 Cb 0.07 -2.85 -0.01 0.00 -1.58 0.00 0.00 42.46 38.09 1vln s ILE 27 CO -0.03 0.38 -0.03 -1.81 -1.23 0.00 0.00 174.94 172.22 1vln s ASP 28 N 1.46 4.48 -0.39 3.58 1.01 0.23 -0.41 116.67 126.63 1vln s ASP 28 Ca 0.05 -0.33 0.02 0.00 0.71 0.00 0.00 52.55 53.01 1vln s ASP 28 Cb -0.15 -1.77 0.11 0.00 1.01 0.00 0.00 42.92 42.12 1vln s ASP 28 CO 0.01 0.00 0.12 -0.63 0.21 0.00 0.00 175.17 174.89 1vln s ILE 29 N 1.34 2.58 0.00 0.77 1.01 -1.26 -1.03 121.20 124.61 1vln s ILE 29 Ca 0.04 -2.44 0.00 0.00 0.00 0.00 0.00 60.65 58.25 1vln s ILE 29 Cb -0.14 -2.85 0.00 0.00 0.01 0.00 0.00 42.46 39.48 1vln s ILE 29 CO -0.01 -0.66 0.00 0.29 0.00 0.00 0.00 174.94 174.56 1vln n LYS 30 N 4.14 -0.33 -3.80 2.79 5.02 -0.16 -4.94 118.16 120.89 1vln n LYS 30 Ca 0.03 0.08 -0.13 0.00 -2.02 0.00 0.00 58.31 56.28 1vln n LYS 30 Cb 0.40 -3.72 -0.10 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 -2.32 -0.17 0.00 4.39 0.15 -1.26 -4.95 113.70 109.53 1vln s SER 31 Ca 0.00 0.21 0.20 0.00 0.70 0.00 0.00 55.95 57.06 1vln s SER 31 Cb 0.00 0.39 0.91 0.00 -1.71 0.00 0.00 66.02 65.61 1vln s SER 31 CO 0.00 -0.27 1.65 0.55 1.20 0.00 0.00 173.24 176.37 1vln n VAL 32 N 2.04 0.54 -2.97 4.45 3.14 -1.26 -4.35 118.33 119.92 1vln n VAL 32 Ca -0.18 0.14 -0.44 0.00 -2.96 0.00 0.00 64.34 60.89 1vln n VAL 32 Cb 0.57 -0.79 -0.03 0.00 -1.06 0.00 0.00 33.84 32.53 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 -2.88 3.46 0.42 1.45 0.52 -1.26 -5.01 118.95 115.64 1vln s ARG 33 Ca 0.13 -1.62 -0.22 0.00 -0.52 0.00 0.00 55.73 53.50 1vln s ARG 33 Cb 0.13 -4.69 -0.14 0.00 0.52 0.00 0.00 34.95 30.77 1vln s ARG 33 CO 0.35 -1.72 0.28 0.43 0.02 0.00 0.00 175.30 174.67 1vln n SER 34 N 6.50 -2.03 0.06 0.23 7.64 -1.26 -4.81 113.62 119.96 1vln n SER 34 Ca 0.15 0.85 -0.06 0.00 1.01 0.00 0.00 58.87 60.82 1vln n SER 34 Cb 0.48 -0.98 -0.11 0.00 -1.01 0.00 0.00 64.21 62.58 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 0.50 0.00 -2.35 1.43 1.79 -1.09 -3.46 116.57 113.38 1vln h LYS 35 Ca -0.38 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.01 1vln h LYS 35 Cb 1.43 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.86 1vln h LYS 35 CO 0.49 0.90 -0.03 0.21 -1.08 0.00 0.00 179.45 179.93 1vln s LYS 36 N -2.73 0.71 0.23 3.15 2.20 -1.25 -5.01 119.74 117.04 1vln s LYS 36 Ca 0.01 0.68 0.03 0.00 -0.36 0.00 0.00 55.97 56.33 1vln s LYS 36 Cb 0.10 0.34 -0.05 0.00 -1.51 0.00 0.00 37.83 36.71 1vln s LYS 36 CO 0.81 -0.11 0.00 0.95 -0.36 0.00 0.00 175.35 176.64 1vln s THR 37 N 0.04 0.98 -0.03 3.43 -4.23 -1.26 -1.49 115.64 113.08 1vln s THR 37 Ca -0.02 -2.03 -0.05 0.00 -1.18 0.00 0.00 61.69 58.41 1vln s THR 37 Cb -0.04 -2.36 0.01 0.00 1.34 0.00 0.00 72.50 71.45 1vln s THR 37 CO 0.02 -0.31 0.13 0.00 -0.54 0.00 0.00 174.62 173.92 1vln s ALA 38 N -3.45 -0.31 0.29 3.99 0.00 0.21 -4.94 121.76 117.56 1vln s ALA 38 Ca 0.29 0.12 -0.29 0.00 0.00 0.00 0.00 51.96 52.07 1vln s ALA 38 Cb 0.06 -0.07 -0.10 0.00 0.00 0.00 0.00 23.12 23.00 1vln s ALA 38 CO 0.09 -0.13 1.44 0.21 0.00 0.00 0.00 175.76 177.36 1vln s LYS 39 N -0.61 4.25 -0.12 0.00 2.20 -1.26 -0.60 119.74 123.60 1vln s LYS 39 Ca -0.07 2.36 0.01 0.00 -0.36 0.00 0.00 55.97 57.91 1vln s LYS 39 Cb -0.04 -3.07 0.02 0.00 -1.51 0.00 0.00 37.83 33.23 1vln s LYS 39 CO 0.01 -0.41 -0.15 -0.46 -0.36 0.00 0.00 175.35 173.98 1vln s TRP 40 N -0.43 2.05 -1.10 4.03 -0.00 -0.43 -4.77 118.94 118.28 1vln s TRP 40 Ca 0.56 -1.03 -0.14 0.00 -0.00 0.00 0.00 56.10 55.50 1vln s TRP 40 Cb -0.43 -1.49 0.19 0.00 -0.00 0.00 0.00 33.47 31.74 1vln s TRP 40 CO 0.49 -0.55 1.25 -0.80 -0.00 0.00 0.00 176.95 177.34 1vln s ASN 41 N 1.16 7.03 0.40 5.86 -0.87 -1.26 -4.45 114.94 122.80 1vln s ASN 41 Ca -0.03 -2.94 -0.25 0.00 -1.57 0.00 0.00 52.86 48.07 1vln s ASN 41 Cb -0.14 -2.34 -0.08 0.00 -0.02 0.00 0.00 41.25 38.67 1vln s ASN 41 CO -0.05 -0.68 1.20 -0.32 -2.57 0.00 0.00 177.10 174.68 1vln s MET 42 N 0.98 4.02 -0.44 -0.60 1.75 -1.26 -5.02 119.30 118.73 1vln s MET 42 Ca 0.36 1.91 0.00 0.00 -1.25 0.00 0.00 55.69 56.71 1vln s MET 42 Cb -0.05 -2.68 0.12 0.00 2.84 0.00 0.00 34.83 35.05 1vln s MET 42 CO -0.04 -0.37 0.21 -0.65 -0.65 0.00 0.00 175.02 173.51 1vln s GLN 43 N -2.30 1.94 -0.21 4.11 -0.21 -1.26 -5.07 119.66 116.66 1vln s GLN 43 Ca 0.57 -2.07 -0.34 0.00 0.02 0.00 0.00 55.36 53.54 1vln s GLN 43 Cb -0.32 -3.46 -0.11 0.00 1.00 0.00 0.00 33.01 30.12 1vln s GLN 43 CO 0.41 -1.06 2.02 -1.71 -2.12 0.00 0.00 175.29 172.83 1vln n ASN 44 N 4.10 2.91 0.00 5.90 5.15 -1.26 -1.40 115.26 130.65 1vln n ASN 44 Ca 0.02 0.70 0.00 0.00 -0.60 0.00 0.00 54.58 54.70 1vln n ASN 44 Cb 0.40 -1.34 0.00 0.00 -0.53 0.00 0.00 39.78 38.30 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 5.26 0.26 3.73 8.20 0.00 0.16 -4.98 105.19 117.82 1vln n GLY 45 Ca 0.30 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.96 2.76 -0.29 1.61 -0.14 -0.50 -4.94 119.74 117.29 1vln s LYS 46 Ca 0.00 -0.72 -0.28 0.00 -1.36 0.00 0.00 55.97 53.62 1vln s LYS 46 Cb 0.00 -2.66 0.01 0.00 -1.68 0.00 0.00 37.83 33.50 1vln s LYS 46 CO 0.00 0.57 0.99 0.08 -0.76 0.00 0.00 175.35 176.23 1vln s VAL 47 N -1.30 4.63 0.54 3.17 1.01 -1.26 -4.19 120.40 123.00 1vln s VAL 47 Ca 0.26 1.69 0.06 0.00 0.00 0.00 0.00 61.98 64.00 1vln s VAL 47 Cb -0.12 -4.32 0.04 0.00 0.00 0.00 0.00 36.38 31.99 1vln s VAL 47 CO 0.18 -0.33 0.47 -0.83 0.00 0.00 0.00 175.10 174.59 1vln s GLY 48 N 1.51 2.24 -0.01 4.51 0.00 -0.43 -4.63 107.32 110.49 1vln s GLY 48 Ca 0.42 -1.49 0.01 0.00 0.00 0.00 0.00 44.72 43.66 1vln s GLY 48 CO 0.12 -1.87 -0.05 -1.59 0.00 0.00 0.00 173.10 169.71 1vln s THR 49 N -2.72 0.42 -0.05 0.90 2.01 -0.61 -1.96 115.64 113.63 1vln s THR 49 Ca 0.40 -0.17 0.07 0.00 0.31 0.00 0.00 61.69 62.30 1vln s THR 49 Cb -0.03 -0.39 -0.01 0.00 0.01 0.00 0.00 72.50 72.08 1vln s THR 49 CO 0.25 0.14 -0.25 0.00 -0.69 0.00 0.00 174.62 174.07 1vln s ALA 50 N 0.21 2.17 -0.07 7.40 0.00 -0.48 -1.61 121.76 129.37 1vln s ALA 50 Ca -0.02 -1.07 0.03 0.00 0.00 0.00 0.00 51.96 50.90 1vln s ALA 50 Cb -0.06 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.43 1vln s ALA 50 CO -0.00 0.45 -0.16 -1.01 0.00 0.00 0.00 175.76 175.03 1vln s HIS 51 N -0.29 1.76 -0.09 0.00 3.76 -0.66 -2.16 115.29 117.62 1vln s HIS 51 Ca 0.00 -0.63 0.01 0.00 -0.15 0.00 0.00 55.06 54.29 1vln s HIS 51 Cb -0.13 -1.23 0.02 0.00 1.11 0.00 0.00 32.58 32.35 1vln s HIS 51 CO 0.02 -0.28 -0.10 0.42 -0.85 0.00 0.00 174.74 173.96 1vln s ILE 52 N 0.42 1.06 0.12 0.60 1.09 -0.43 -1.60 121.20 122.46 1vln s ILE 52 Ca -0.13 -0.37 0.08 0.00 -1.10 0.00 0.00 60.65 59.13 1vln s ILE 52 Cb -0.15 -1.02 -0.04 0.00 -1.06 0.00 0.00 42.46 40.19 1vln s ILE 52 CO 0.04 0.35 -0.19 0.27 -0.10 0.00 0.00 174.94 175.32 1vln s ILE 53 N 1.16 1.64 -0.16 2.92 -4.36 -0.89 -1.03 121.20 120.48 1vln s ILE 53 Ca -0.05 -1.64 -0.25 0.00 -0.26 0.00 0.00 60.65 58.44 1vln s ILE 53 Cb -0.14 -1.58 0.06 0.00 1.25 0.00 0.00 42.46 42.05 1vln s ILE 53 CO -0.02 -0.19 0.64 -0.47 0.24 0.00 0.00 174.94 175.14 1vln s TYR 54 N -1.53 -0.66 -0.02 1.37 5.04 -0.39 -2.21 117.35 118.95 1vln s TYR 54 Ca 0.08 1.42 -0.16 0.00 -2.44 0.00 0.00 57.07 55.98 1vln s TYR 54 Cb -0.08 0.30 0.03 0.00 0.35 0.00 0.00 41.96 42.55 1vln s TYR 54 CO 0.05 -0.45 0.35 0.54 -1.34 0.00 0.00 175.55 174.69 1vln s ASN 55 N -0.35 -0.24 0.00 4.32 2.20 -1.26 -1.36 114.94 118.26 1vln s ASN 55 Ca -0.05 0.16 0.30 0.00 -0.94 0.00 0.00 52.86 52.33 1vln s ASN 55 Cb -0.03 0.34 1.50 0.00 -2.00 0.00 0.00 41.25 41.07 1vln s ASN 55 CO 0.05 -0.46 2.03 -1.54 -2.94 0.00 0.00 177.10 174.24 1vln n SER 56 N 1.27 0.11 -0.07 3.54 3.41 0.73 -0.85 113.62 121.76 1vln n SER 56 Ca -0.21 -0.35 -0.10 0.00 -0.26 0.00 0.00 58.87 57.94 1vln n SER 56 Cb 0.56 -0.20 -0.09 0.00 -0.26 0.00 0.00 64.21 64.22 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 0.13 1.16 0.07 -3.33 2.07 -1.90 -3.37 116.25 111.08 1vln h VAL 57 Ca 0.00 -1.91 -0.25 0.00 0.82 0.00 0.00 66.70 65.36 1vln h VAL 57 Cb 0.27 2.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 1vln h VAL 57 CO 0.00 0.39 -1.08 0.44 0.02 0.00 0.00 177.57 177.34 1vln h ASP 58 N -1.00 0.44 -5.69 0.57 3.32 -1.98 -3.48 116.42 108.60 1vln h ASP 58 Ca -0.03 -0.41 -0.34 0.00 0.02 0.00 0.00 57.03 56.28 1vln h ASP 58 Cb 0.73 -0.14 0.16 0.00 0.22 0.00 0.00 39.33 40.30 1vln h ASP 58 CO -0.02 1.26 -0.78 0.29 -1.72 0.00 0.00 179.24 178.27 1vln n LYS 59 N -3.63 -6.08 -3.94 3.56 5.02 -0.03 -4.92 118.16 108.14 1vln n LYS 59 Ca -0.07 0.82 -0.17 0.00 -2.02 0.00 0.00 58.31 56.87 1vln n LYS 59 Cb 0.93 -5.77 -0.16 0.00 -0.02 0.00 0.00 35.03 30.00 1vln n LYS 59 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1vln s ARG 60 N -5.37 0.35 -0.28 1.97 3.52 -1.25 -1.22 118.95 116.67 1vln s ARG 60 Ca 0.04 0.06 -0.11 0.00 -0.13 0.00 0.00 55.73 55.59 1vln s ARG 60 Cb -0.01 -0.53 -0.05 0.00 -1.56 0.00 0.00 34.95 32.81 1vln s ARG 60 CO 0.74 -0.14 0.18 -1.17 -0.81 0.00 0.00 175.30 174.11 1vln s LEU 61 N 1.05 4.00 0.25 -0.88 2.96 -0.00 -4.25 118.68 121.81 1vln s LEU 61 Ca -0.09 -0.01 0.12 0.00 -0.22 0.00 0.00 54.13 53.92 1vln s LEU 61 Cb -0.14 -2.11 -0.05 0.00 0.50 0.00 0.00 46.19 44.40 1vln s LEU 61 CO -0.02 -0.04 -0.21 -0.44 -1.32 0.00 0.00 176.35 174.32 1vln s SER 62 N 1.72 3.53 -0.07 3.68 0.01 -0.94 -1.13 113.70 120.50 1vln s SER 62 Ca 0.07 -0.98 -0.13 0.00 1.31 0.00 0.00 55.95 56.22 1vln s SER 62 Cb -0.16 -0.29 0.03 0.00 0.21 0.00 0.00 66.02 65.81 1vln s SER 62 CO 0.10 0.06 0.31 0.00 0.41 0.00 0.00 173.24 174.12 1vln s ALA 63 N -2.28 -0.77 -0.09 1.44 0.00 -0.13 -2.09 121.76 117.85 1vln s ALA 63 Ca 0.27 0.61 0.01 0.00 0.00 0.00 0.00 51.96 52.85 1vln s ALA 63 Cb -0.06 -0.24 0.02 0.00 0.00 0.00 0.00 23.12 22.84 1vln s ALA 63 CO 0.13 -0.20 -0.08 0.08 0.00 0.00 0.00 175.76 175.69 1vln s VAL 64 N -0.54 0.95 -0.07 0.00 1.01 -0.63 -1.71 120.40 119.42 1vln s VAL 64 Ca -0.07 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 61.65 1vln s VAL 64 Cb -0.04 -0.95 -0.02 0.00 0.00 0.00 0.00 36.38 35.38 1vln s VAL 64 CO 0.02 0.34 -0.16 -0.69 0.00 0.00 0.00 175.10 174.60 1vln s VAL 65 N 1.29 2.84 0.24 2.92 1.01 -0.23 -1.65 120.40 126.82 1vln s VAL 65 Ca -0.03 -0.79 -0.11 0.00 0.00 0.00 0.00 61.98 61.04 1vln s VAL 65 Cb -0.14 -2.11 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 1vln s VAL 65 CO -0.03 0.57 0.44 -0.94 0.00 0.00 0.00 175.10 175.14 1vln s SER 66 N -0.39 -0.05 0.02 3.32 1.04 -0.64 -1.54 113.70 115.47 1vln s SER 66 Ca 0.04 -0.99 0.01 0.00 0.48 0.00 0.00 55.95 55.49 1vln s SER 66 Cb -0.12 0.56 -0.02 0.00 0.10 0.00 0.00 66.02 66.55 1vln s SER 66 CO 0.02 -1.11 -0.05 -0.31 0.98 0.00 0.00 173.24 172.77 1vln s TYR 67 N -4.01 0.42 0.47 5.02 2.02 -1.26 -1.57 117.35 118.44 1vln s TYR 67 Ca 0.25 -0.35 -0.24 0.00 -0.37 0.00 0.00 57.07 56.36 1vln s TYR 67 Cb 0.00 -0.26 -0.08 0.00 -0.40 0.00 0.00 41.96 41.22 1vln s TYR 67 CO 0.10 -0.09 1.30 -2.30 -1.57 0.00 0.00 175.55 172.99 1vln n PRO 68 N 2.04 1.84 -3.48 -1.71 -0.02 -1.26 -2.57 135.00 129.85 1vln n PRO 68 Ca -0.19 0.66 -0.26 0.00 -2.02 0.00 0.00 63.50 61.69 1vln n PRO 68 Cb 0.56 -2.46 0.02 0.00 -0.02 0.00 0.00 33.50 31.60 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 -0.26 -4.79 -3.81 2.55 4.13 -1.26 -4.96 115.26 106.85 1vln n ASN 69 Ca 0.08 -0.50 -0.14 0.00 1.68 0.00 0.00 54.58 55.69 1vln n ASN 69 Cb 0.42 -3.88 -0.08 0.00 -1.54 0.00 0.00 39.78 34.70 1vln n ASN 69 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1vln s ALA 70 N -3.13 1.14 0.57 5.41 0.00 -1.06 -5.16 121.76 119.52 1vln s ALA 70 Ca 0.48 -1.69 -0.07 0.00 0.00 0.00 0.00 51.96 50.68 1vln s ALA 70 Cb -0.24 1.35 -0.01 0.00 0.00 0.00 0.00 23.12 24.22 1vln s ALA 70 CO 0.59 -0.67 0.90 -0.51 0.00 0.00 0.00 175.76 176.07 1vln s ASP 71 N -3.21 5.91 0.23 0.00 1.11 -1.26 -4.75 116.67 114.69 1vln s ASP 71 Ca 0.36 0.93 0.06 0.00 0.18 0.00 0.00 52.55 54.08 1vln s ASP 71 Cb 0.04 -2.03 -0.03 0.00 1.07 0.00 0.00 42.92 41.96 1vln s ASP 71 CO 0.17 -0.89 0.25 -0.44 1.18 0.00 0.00 175.17 175.44 1vln s SER 72 N -4.22 5.83 -0.09 0.27 0.01 -1.26 -4.50 113.70 109.74 1vln s SER 72 Ca 0.52 -0.11 0.02 0.00 1.31 0.00 0.00 55.95 57.69 1vln s SER 72 Cb -0.11 -1.59 -0.02 0.00 0.21 0.00 0.00 66.02 64.52 1vln s SER 72 CO 0.47 -0.03 -0.14 0.00 0.41 0.00 0.00 173.24 173.95 1vln s ALA 73 N -2.01 2.64 0.09 1.44 0.00 -0.59 -4.97 121.76 118.37 1vln s ALA 73 Ca 0.33 -0.94 0.06 0.00 0.00 0.00 0.00 51.96 51.41 1vln s ALA 73 Cb -0.09 -1.08 -0.03 0.00 0.00 0.00 0.00 23.12 21.92 1vln s ALA 73 CO 0.26 0.42 -0.15 0.99 0.00 0.00 0.00 175.76 177.28 1vln s THR 74 N -0.24 1.27 -0.20 0.00 2.01 -1.26 -1.07 115.64 116.15 1vln s THR 74 Ca 0.01 -1.43 -0.14 0.00 0.31 0.00 0.00 61.69 60.44 1vln s THR 74 Cb -0.13 -1.25 0.06 0.00 0.01 0.00 0.00 72.50 71.19 1vln s THR 74 CO 0.03 -0.23 0.51 0.54 -0.69 0.00 0.00 174.62 174.78 1vln s VAL 75 N -1.43 -0.01 0.04 3.82 0.11 -0.69 -4.73 120.40 117.51 1vln s VAL 75 Ca 0.02 0.04 0.03 0.00 -2.93 0.00 0.00 61.98 59.14 1vln s VAL 75 Cb -0.09 -0.74 -0.02 0.00 -1.53 0.00 0.00 36.38 34.00 1vln s VAL 75 CO 0.03 0.02 -0.09 -0.44 -3.33 0.00 0.00 175.10 171.28 1vln s SER 76 N 1.09 1.01 -0.14 3.54 0.01 -1.26 -0.95 113.70 117.00 1vln s SER 76 Ca -0.07 -0.53 -0.09 0.00 1.31 0.00 0.00 55.95 56.58 1vln s SER 76 Cb -0.06 0.01 0.05 0.00 0.21 0.00 0.00 66.02 66.23 1vln s SER 76 CO -0.10 -0.15 0.36 -0.47 0.41 0.00 0.00 173.24 173.28 1vln s TYR 77 N -1.26 -0.48 -0.40 2.43 5.04 -0.29 -4.95 117.35 117.45 1vln s TYR 77 Ca -0.07 1.08 -0.29 0.00 -2.44 0.00 0.00 57.07 55.35 1vln s TYR 77 Cb -0.09 0.18 0.02 0.00 0.35 0.00 0.00 41.96 42.42 1vln s TYR 77 CO 0.01 -0.28 1.16 -0.51 -1.34 0.00 0.00 175.55 174.59 1vln s ASP 78 N 1.08 6.71 -0.08 4.32 1.01 -1.26 -0.82 116.67 127.63 1vln s ASP 78 Ca -0.07 0.78 -0.08 0.00 0.71 0.00 0.00 52.55 53.89 1vln s ASP 78 Cb -0.07 -2.55 0.02 0.00 1.01 0.00 0.00 42.92 41.33 1vln s ASP 78 CO -0.09 -1.12 0.22 0.54 0.21 0.00 0.00 175.17 174.93 1vln s VAL 79 N 4.26 -0.00 -0.70 -1.27 0.11 -0.36 -4.98 120.40 117.46 1vln s VAL 79 Ca 0.49 0.01 -0.12 0.00 -2.93 0.00 0.00 61.98 59.43 1vln s VAL 79 Cb -0.10 -0.32 0.18 0.00 -1.53 0.00 0.00 36.38 34.61 1vln s VAL 79 CO 0.25 0.00 0.61 -0.62 -3.33 0.00 0.00 175.10 172.01 1vln s ASP 80 N 0.17 6.24 0.66 3.54 -1.08 -1.26 -4.06 116.67 120.88 1vln s ASP 80 Ca -0.00 -2.47 0.44 0.00 -0.52 0.00 0.00 52.55 50.00 1vln s ASP 80 Cb -0.02 -2.12 2.41 0.00 -1.46 0.00 0.00 42.92 41.74 1vln s ASP 80 CO -0.00 -0.60 2.36 -0.07 0.52 0.00 0.00 175.17 177.39 1vln h LEU 81 N 7.91 0.00 -2.08 -1.34 3.38 -1.99 -2.03 115.31 119.17 1vln h LEU 81 Ca -0.02 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.00 1vln h LEU 81 Cb 1.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1vln h LEU 81 CO 0.81 0.00 0.14 0.44 0.09 0.00 0.00 178.44 179.92 1vln h ASP 82 N 0.00 0.00 0.04 -0.43 5.19 -1.92 0.76 116.42 120.07 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 0.01 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.52 1vln h ASP 82 CO 0.00 0.00 -0.31 0.59 -3.12 0.00 0.00 179.24 176.40 1vln n ASN 83 N -4.32 1.90 -0.10 6.45 3.02 -0.76 -4.52 115.26 116.92 1vln n ASN 83 Ca 0.01 -1.44 -0.22 0.00 -0.03 0.00 0.00 54.58 52.91 1vln n ASN 83 Cb 0.27 0.28 -0.07 0.00 -0.61 0.00 0.00 39.78 39.65 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 0.06 1.12 -4.01 2.41 0.31 0.05 -5.06 118.33 113.21 1vln n VAL 84 Ca 0.12 -0.28 -0.22 0.00 -0.01 0.00 0.00 64.34 63.94 1vln n VAL 84 Cb 0.45 -1.78 -0.03 0.00 -0.91 0.00 0.00 33.84 31.57 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 -7.10 4.18 0.89 7.52 1.43 -0.02 -5.00 118.68 120.58 1vln s LEU 85 Ca -0.28 -0.00 -0.12 0.00 -1.03 0.00 0.00 54.13 52.69 1vln s LEU 85 Cb 0.11 -2.72 0.13 0.00 0.03 0.00 0.00 46.19 43.73 1vln s LEU 85 CO 0.36 -0.04 1.11 -2.16 0.23 0.00 0.00 176.35 175.84 1vln s PRO 86 N -3.83 1.28 0.40 1.29 0.04 -1.26 -4.79 135.00 128.13 1vln s PRO 86 Ca 0.34 0.54 0.13 0.00 0.04 0.00 0.00 61.00 62.05 1vln s PRO 86 Cb -0.09 -1.83 0.83 0.00 0.04 0.00 0.00 34.50 33.45 1vln s PRO 86 CO 0.28 -2.16 1.90 1.49 0.04 0.00 0.00 177.00 178.54 1vln h GLU 87 N -1.48 0.02 -5.34 4.56 4.81 -1.95 -3.42 114.58 111.78 1vln h GLU 87 Ca -0.50 -0.01 -0.68 0.00 -0.13 0.00 0.00 59.36 58.04 1vln h GLU 87 Cb 1.30 -0.00 -0.33 0.00 0.63 0.00 0.00 28.75 30.35 1vln h GLU 87 CO 0.59 0.30 -0.88 -1.58 -0.73 0.00 0.00 179.01 176.71 1vln s TRP 88 N -4.41 2.55 0.34 0.92 0.52 -1.26 -1.97 118.94 115.63 1vln s TRP 88 Ca -0.03 -1.04 0.08 0.00 0.02 0.00 0.00 56.10 55.12 1vln s TRP 88 Cb 0.15 -1.70 -0.03 0.00 -1.15 0.00 0.00 33.47 30.74 1vln s TRP 88 CO 0.72 -0.41 0.28 0.14 0.02 0.00 0.00 176.95 177.69 1vln s VAL 89 N 0.33 0.01 -0.02 4.03 -7.23 0.15 -4.30 120.40 113.38 1vln s VAL 89 Ca -0.19 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.03 1vln s VAL 89 Cb -0.18 -2.49 -0.01 0.00 0.56 0.00 0.00 36.38 34.26 1vln s VAL 89 CO 0.09 0.00 -0.16 -0.13 -0.31 0.00 0.00 175.10 174.59 1vln s ARG 90 N -3.41 1.41 0.01 4.82 0.52 0.11 -0.45 118.95 121.95 1vln s ARG 90 Ca 0.40 -0.58 0.02 0.00 -0.52 0.00 0.00 55.73 55.06 1vln s ARG 90 Cb 0.02 -1.33 -0.04 0.00 0.52 0.00 0.00 34.95 34.13 1vln s ARG 90 CO 0.28 0.32 -0.03 0.14 0.02 0.00 0.00 175.30 176.03 1vln s VAL 91 N -0.26 3.94 0.09 3.52 -7.23 -1.26 -1.37 120.40 117.82 1vln s VAL 91 Ca 0.04 -0.71 -0.05 0.00 -1.81 0.00 0.00 61.98 59.46 1vln s VAL 91 Cb -0.08 -2.75 0.02 0.00 0.56 0.00 0.00 36.38 34.13 1vln s VAL 91 CO 0.00 0.36 0.23 0.61 -0.31 0.00 0.00 175.10 175.99 1vln n GLY 92 N 1.39 1.56 3.29 2.32 0.00 -0.52 -1.95 105.19 111.28 1vln n GLY 92 Ca -0.15 -1.05 -0.29 0.00 0.00 0.00 0.00 46.02 44.53 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 2.12 0.11 0.99 1.43 -0.44 -0.81 118.68 122.08 1vln s LEU 93 Ca 0.05 -0.51 0.03 0.00 -1.03 0.00 0.00 54.13 52.67 1vln s LEU 93 Cb -0.01 -1.19 -0.04 0.00 0.03 0.00 0.00 46.19 44.98 1vln s LEU 93 CO 0.03 0.25 -0.08 -0.55 0.23 0.00 0.00 176.35 176.23 1vln s SER 94 N -0.94 1.37 -0.02 2.29 0.15 0.34 -1.61 113.70 115.28 1vln s SER 94 Ca 0.10 -0.96 -0.28 0.00 0.70 0.00 0.00 55.95 55.50 1vln s SER 94 Cb -0.09 0.05 0.10 0.00 -1.71 0.00 0.00 66.02 64.36 1vln s SER 94 CO 0.01 -0.38 0.86 0.00 1.20 0.00 0.00 173.24 174.92 1vln s ALA 95 N -3.26 -1.81 0.19 5.45 0.00 -1.04 -0.69 121.76 120.60 1vln s ALA 95 Ca 0.11 1.07 -0.21 0.00 0.00 0.00 0.00 51.96 52.93 1vln s ALA 95 Cb 0.03 0.26 0.05 0.00 0.00 0.00 0.00 23.12 23.45 1vln s ALA 95 CO -0.02 -0.61 0.61 -1.54 0.00 0.00 0.00 175.76 174.19 1vln s SER 96 N -2.20 -0.42 0.21 0.00 1.04 -1.10 -2.71 113.70 108.53 1vln s SER 96 Ca 0.02 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.20 1vln s SER 96 Cb -0.01 0.62 -0.05 0.00 0.10 0.00 0.00 66.02 66.69 1vln s SER 96 CO -0.06 -1.07 0.09 0.42 0.98 0.00 0.00 173.24 173.59 1vln s THR 97 N -3.82 0.34 0.00 2.02 -4.23 -0.84 -0.59 115.64 108.52 1vln s THR 97 Ca 0.05 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 1vln s THR 97 Cb -0.02 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 71.37 1vln s THR 97 CO -0.06 -0.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.51 1vln n GLY 98 N -0.33 3.07 0.20 3.99 0.00 -1.26 -2.34 105.19 108.52 1vln n GLY 98 Ca -0.01 -0.20 -0.09 0.00 0.00 0.00 0.00 46.02 45.72 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 0.60-10.05 0.99 6.46 -1.96 -2.57 115.31 108.78 1vln h LEU 99 Ca 0.00 -0.21 -0.51 0.00 -0.12 0.00 0.00 57.88 57.04 1vln h LEU 99 Cb 0.00 -0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 39.74 1vln h LEU 99 CO 0.00 0.65 -0.47 -0.31 -0.62 0.00 0.00 178.44 177.69 1vln s TYR 100 N -5.38 3.37 0.08 1.25 1.51 -1.26 -4.97 117.35 111.95 1vln s TYR 100 Ca -0.13 0.01 -0.01 0.00 -1.01 0.00 0.00 57.07 55.93 1vln s TYR 100 Cb 0.10 -1.56 -0.04 0.00 -0.11 0.00 0.00 41.96 40.35 1vln s TYR 100 CO 0.76 0.49 -0.01 -1.59 -1.11 0.00 0.00 175.55 174.09 1vln s LYS 101 N -3.62 0.72 0.23 -0.62 -2.85 -1.26 -4.43 119.74 107.91 1vln s LYS 101 Ca 0.34 -1.29 -0.20 0.00 -1.00 0.00 0.00 55.97 53.81 1vln s LYS 101 Cb -0.10 0.17 0.03 0.00 -2.06 0.00 0.00 37.83 35.88 1vln s LYS 101 CO 0.27 -0.14 0.63 -1.83 0.10 0.00 0.00 175.35 174.39 1vln s GLU 102 N -3.94 1.55 0.19 1.78 -1.05 -1.21 -4.31 118.70 111.71 1vln s GLU 102 Ca 0.12 -0.84 -0.20 0.00 -0.15 0.00 0.00 54.97 53.90 1vln s GLU 102 Cb 0.08 0.58 -0.08 0.00 -0.44 0.00 0.00 34.13 34.26 1vln s GLU 102 CO -0.06 -0.69 0.71 0.95 0.95 0.00 0.00 175.26 177.11 1vln s THR 103 N -3.87 4.57 -0.53 1.83 -4.23 0.29 -4.70 115.64 108.99 1vln s THR 103 Ca 0.09 1.32 0.07 0.00 -1.18 0.00 0.00 61.69 61.99 1vln s THR 103 Cb -0.03 -3.90 0.31 0.00 1.34 0.00 0.00 72.50 70.21 1vln s THR 103 CO -0.00 0.30 0.81 0.59 -0.54 0.00 0.00 174.62 175.78 1vln n ASN 104 N 0.98 3.12 -4.78 3.99 5.03 -1.26 -3.84 115.26 118.50 1vln n ASN 104 Ca -0.04 -3.39 -0.39 0.00 0.87 0.00 0.00 54.58 51.63 1vln n ASN 104 Cb 0.51 -0.61 -0.06 0.00 -1.02 0.00 0.00 39.78 38.60 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 -3.22 4.68 -0.12 3.41 2.01 -1.17 -2.07 115.64 119.16 1vln s THR 105 Ca 0.43 1.43 0.02 0.00 0.31 0.00 0.00 61.69 63.89 1vln s THR 105 Cb 0.25 -4.01 -0.00 0.00 0.01 0.00 0.00 72.50 68.74 1vln s THR 105 CO -0.09 0.48 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.50 1vln s ILE 106 N -0.70 2.45 -0.10 1.82 -1.09 0.51 -1.92 121.20 122.18 1vln s ILE 106 Ca 0.33 -0.87 0.20 0.00 -2.23 0.00 0.00 60.65 58.09 1vln s ILE 106 Cb -0.20 -1.99 -0.30 0.00 -1.58 0.00 0.00 42.46 38.39 1vln s ILE 106 CO 0.21 0.54 0.35 0.18 -1.23 0.00 0.00 174.94 174.99 1vln n LEU 107 N 3.70 0.04 -3.46 2.97 4.32 0.48 -1.74 117.00 123.31 1vln n LEU 107 Ca -0.19 0.02 -0.11 0.00 -0.02 0.00 0.00 56.01 55.71 1vln n LEU 107 Cb 0.52 0.19 -0.02 0.00 -1.62 0.00 0.00 43.42 42.49 1vln n LEU 107 CO 0.29 0.19 0.50 -0.94 -1.22 0.00 0.00 177.39 176.21 1vln s SER 108 N -4.93 -0.50 -0.30 -1.43 1.04 -1.24 -4.54 113.70 101.79 1vln s SER 108 Ca -0.08 0.05 -0.10 0.00 0.48 0.00 0.00 55.95 56.30 1vln s SER 108 Cb 0.11 0.52 0.14 0.00 0.10 0.00 0.00 66.02 66.89 1vln s SER 108 CO 0.88 -0.82 0.67 0.86 0.98 0.00 0.00 173.24 175.80 1vln s TRP 109 N -3.35 -1.33 0.19 5.02 -0.00 -0.33 -2.23 118.94 116.91 1vln s TRP 109 Ca 0.02 2.20 0.11 0.00 -0.00 0.00 0.00 56.10 58.42 1vln s TRP 109 Cb -0.01 0.76 -0.04 0.00 -0.00 0.00 0.00 33.47 34.18 1vln s TRP 109 CO -0.10 -0.67 -0.23 -1.54 -0.00 0.00 0.00 176.95 174.42 1vln s SER 110 N 2.87 3.26 -0.18 5.86 1.04 0.05 -0.62 113.70 125.97 1vln s SER 110 Ca -0.03 -0.86 -0.14 0.00 0.48 0.00 0.00 55.95 55.39 1vln s SER 110 Cb -0.12 -0.23 0.05 0.00 0.10 0.00 0.00 66.02 65.82 1vln s SER 110 CO -0.19 0.09 0.47 0.12 0.98 0.00 0.00 173.24 174.70 1vln s PHE 111 N -1.74 -0.58 -0.02 5.02 5.36 -0.50 -1.77 117.98 123.75 1vln s PHE 111 Ca 0.19 1.33 0.00 0.00 -0.96 0.00 0.00 56.93 57.50 1vln s PHE 111 Cb -0.07 0.24 0.01 0.00 -0.34 0.00 0.00 43.02 42.86 1vln s PHE 111 CO 0.09 -0.30 -0.01 0.99 -1.46 0.00 0.00 175.22 174.54 1vln s THR 112 N 0.71 0.14 -0.03 0.12 2.01 -0.81 -1.51 115.64 116.26 1vln s THR 112 Ca -0.04 0.02 0.01 0.00 0.31 0.00 0.00 61.69 61.99 1vln s THR 112 Cb -0.05 -0.19 0.02 0.00 0.01 0.00 0.00 72.50 72.29 1vln s THR 112 CO -0.05 0.09 -0.01 -0.55 -0.69 0.00 0.00 174.62 173.41 1vln s SER 113 N 0.54 0.53 -0.01 3.53 0.15 -0.30 -1.82 113.70 116.32 1vln s SER 113 Ca -0.05 -0.06 0.04 0.00 0.70 0.00 0.00 55.95 56.58 1vln s SER 113 Cb -0.08 -0.26 -0.01 0.00 -1.71 0.00 0.00 66.02 63.97 1vln s SER 113 CO -0.01 -0.07 -0.12 -0.54 1.20 0.00 0.00 173.24 173.69 1vln s LYS 114 N 0.86 1.03 -0.16 5.44 1.02 -0.75 -0.95 119.74 126.23 1vln s LYS 114 Ca -0.09 -0.45 -0.02 0.00 0.02 0.00 0.00 55.97 55.43 1vln s LYS 114 Cb -0.13 -0.99 0.05 0.00 -0.52 0.00 0.00 37.83 36.24 1vln s LYS 114 CO -0.01 0.26 0.02 -1.17 -0.92 0.00 0.00 175.35 173.53 1vln s LEU 115 N -0.26 1.08 -0.38 3.17 2.96 0.13 -2.17 118.68 123.22 1vln s LEU 115 Ca 0.04 -0.62 -0.09 0.00 -0.22 0.00 0.00 54.13 53.24 1vln s LEU 115 Cb -0.05 -0.59 0.04 0.00 0.50 0.00 0.00 46.19 46.09 1vln s LEU 115 CO -0.00 -0.26 0.19 -0.54 -1.32 0.00 0.00 176.35 174.41 1vln s LYS 116 N 1.86 2.71 0.00 1.98 1.02 -0.23 -1.35 119.74 125.73 1vln s LYS 116 Ca 0.01 -1.20 0.00 0.00 0.02 0.00 0.00 55.97 54.80 1vln s LYS 116 Cb -0.16 -3.67 0.00 0.00 -0.52 0.00 0.00 37.83 33.48 1vln s LYS 116 CO -0.07 -0.75 0.00 0.43 -0.92 0.00 0.00 175.35 174.03 1vln n SER 117 N 4.93 0.00 -2.08 2.83 7.64 -1.25 0.17 113.62 125.86 1vln n SER 117 Ca -0.12 -0.64 -0.01 0.00 1.01 0.00 0.00 58.87 59.12 1vln n SER 117 Cb 0.45 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.63 1vln n SER 117 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1vln n ASN 118 N -1.91 1.21 -3.70 6.43 5.03 -0.75 -4.57 115.26 117.00 1vln n ASN 118 Ca 0.00 -1.48 -0.12 0.00 0.87 0.00 0.00 54.58 53.86 1vln n ASN 118 Cb 0.00 -0.28 -0.12 0.00 -1.02 0.00 0.00 39.78 38.36 1vln n ASN 118 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1vln s SER 119 N 2.30 -0.26 -0.50 6.41 0.01 -1.26 -5.07 113.70 115.33 1vln s SER 119 Ca 0.06 0.69 -0.04 0.00 1.31 0.00 0.00 55.95 57.96 1vln s SER 119 Cb 0.03 0.63 -0.17 0.00 0.21 0.00 0.00 66.02 66.72 1vln s SER 119 CO 0.00 -0.19 1.57 0.41 0.41 0.00 0.00 173.24 175.44 1vln n THR 120 N 4.48 0.00 -3.25 1.44 -1.04 -1.26 -0.42 114.28 114.23 1vln n THR 120 Ca -0.21 -0.50 -0.16 0.00 -2.04 0.00 0.00 64.05 61.14 1vln n THR 120 Cb 0.53 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 69.10 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 4.97 -2.00 -2.47 -1.42 -0.00 -1.26 -4.94 115.22 108.10 1vln n HIS 121 Ca 0.34 0.72 -0.43 0.00 0.46 0.00 0.00 57.72 58.81 1vln n HIS 121 Cb 0.32 -3.93 0.00 0.00 -0.12 0.00 0.00 29.99 26.27 1vln n HIS 121 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 1vln n GLU 122 N -3.65 3.64 -2.60 1.57 4.07 0.43 -4.97 120.64 119.13 1vln n GLU 122 Ca -0.02 -3.65 -0.40 0.00 -0.06 0.00 0.00 57.16 53.04 1vln n GLU 122 Cb 0.55 -2.91 -0.05 0.00 -0.06 0.00 0.00 31.44 28.97 1vln n GLU 122 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 1vln s THR 123 N 0.33 3.77 -0.13 6.31 2.01 -1.26 -3.87 115.64 122.79 1vln s THR 123 Ca 0.39 1.71 0.02 0.00 0.31 0.00 0.00 61.69 64.13 1vln s THR 123 Cb 0.07 -4.06 0.00 0.00 0.01 0.00 0.00 72.50 68.53 1vln s THR 123 CO 0.01 0.35 -0.20 0.20 -0.69 0.00 0.00 174.62 174.29 1vln s ASN 124 N -1.11 3.29 0.09 3.53 0.02 -0.46 -4.98 114.94 115.32 1vln s ASN 124 Ca 0.45 -0.54 0.03 0.00 -1.02 0.00 0.00 52.86 51.78 1vln s ASN 124 Cb -0.28 -1.47 -0.04 0.00 0.02 0.00 0.00 41.25 39.48 1vln s ASN 124 CO 0.35 0.11 -0.09 0.00 0.02 0.00 0.00 177.10 177.49 1vln s ALA 125 N 0.66 1.03 -0.01 0.60 0.00 -1.26 -0.69 121.76 122.09 1vln s ALA 125 Ca -0.10 -1.21 0.01 0.00 0.00 0.00 0.00 51.96 50.66 1vln s ALA 125 Cb -0.16 0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.04 1vln s ALA 125 CO 0.02 -0.10 -0.01 -1.17 0.00 0.00 0.00 175.76 174.49 1vln s LEU 126 N -2.58 1.64 -0.10 0.00 2.96 -0.12 -5.00 118.68 115.48 1vln s LEU 126 Ca 0.06 -0.04 -0.07 0.00 -0.22 0.00 0.00 54.13 53.86 1vln s LEU 126 Cb -0.01 -0.17 0.03 0.00 0.50 0.00 0.00 46.19 46.54 1vln s LEU 126 CO -0.01 -0.03 0.24 -2.28 -1.32 0.00 0.00 176.35 172.95 1vln s HIS 127 N 0.41 -0.29 -0.01 5.38 5.65 -1.26 -1.16 115.29 124.01 1vln s HIS 127 Ca -0.04 0.70 -0.08 0.00 0.25 0.00 0.00 55.06 55.89 1vln s HIS 127 Cb -0.07 0.08 0.01 0.00 -1.18 0.00 0.00 32.58 31.42 1vln s HIS 127 CO -0.01 -0.17 0.17 -0.59 -0.65 0.00 0.00 174.74 173.49 1vln s PHE 128 N 0.54 -0.03 -0.10 3.88 -0.12 -0.57 -5.02 117.98 116.57 1vln s PHE 128 Ca -0.03 0.03 -0.04 0.00 -0.05 0.00 0.00 56.93 56.83 1vln s PHE 128 Cb -0.05 -0.01 0.05 0.00 -0.63 0.00 0.00 43.02 42.38 1vln s PHE 128 CO -0.03 -0.27 0.20 1.41 -0.05 0.00 0.00 175.22 176.49 1vln s MET 129 N -1.13 0.10 -0.31 1.99 1.75 -1.26 -1.41 119.30 119.03 1vln s MET 129 Ca -0.12 0.60 -0.05 0.00 -1.25 0.00 0.00 55.69 54.87 1vln s MET 129 Cb -0.06 -0.16 0.03 0.00 2.84 0.00 0.00 34.83 37.48 1vln s MET 129 CO 0.02 -0.27 0.05 -0.06 -0.65 0.00 0.00 175.02 174.11 1vln s PHE 130 N 2.08 3.21 -0.72 4.11 0.08 0.21 -4.91 117.98 122.03 1vln s PHE 130 Ca -0.01 -1.46 0.16 0.00 0.12 0.00 0.00 56.93 55.75 1vln s PHE 130 Cb -0.12 -2.20 -0.19 0.00 -0.57 0.00 0.00 43.02 39.95 1vln s PHE 130 CO -0.07 -0.72 0.68 0.09 -0.10 0.00 0.00 175.22 175.10 1vln n ASN 131 N 4.76 0.80 -3.71 1.36 3.02 -1.26 -1.19 115.26 119.04 1vln n ASN 131 Ca -0.14 -0.82 -0.11 0.00 -0.03 0.00 0.00 54.58 53.48 1vln n ASN 131 Cb 0.45 1.06 -0.10 0.00 -0.61 0.00 0.00 39.78 40.58 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 -2.61 0.44 0.09 3.52 -0.44 -1.26 -4.78 119.66 114.62 1vln s GLN 132 Ca 0.05 0.72 0.02 0.00 -2.50 0.00 0.00 55.36 53.65 1vln s GLN 132 Cb 0.12 0.09 -0.04 0.00 -1.64 0.00 0.00 33.01 31.54 1vln s GLN 132 CO 0.68 -0.12 0.17 -0.06 0.50 0.00 0.00 175.29 176.46 1vln s PHE 133 N 0.94 3.38 0.21 1.67 0.40 -0.39 -5.02 117.98 119.16 1vln s PHE 133 Ca -0.06 0.15 0.10 0.00 -0.60 0.00 0.00 56.93 56.53 1vln s PHE 133 Cb -0.06 -1.68 -0.04 0.00 0.51 0.00 0.00 43.02 41.74 1vln s PHE 133 CO -0.08 0.55 -0.16 -1.12 0.70 0.00 0.00 175.22 175.12 1vln s SER 134 N -2.62 3.85 0.51 1.36 0.01 -1.26 -4.30 113.70 111.25 1vln s SER 134 Ca 0.33 -0.78 0.23 0.00 1.31 0.00 0.00 55.95 57.04 1vln s SER 134 Cb -0.12 -0.48 1.33 0.00 0.21 0.00 0.00 66.02 66.96 1vln s SER 134 CO 0.26 0.09 1.99 0.50 0.41 0.00 0.00 173.24 176.49 1vln h LYS 135 N 2.80 0.06 -2.86 12.44 3.64 -1.85 -3.23 116.57 127.57 1vln h LYS 135 Ca -0.45 -0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.32 1vln h LYS 135 Cb 1.22 -0.01 -0.40 0.00 -0.41 0.00 0.00 32.23 32.63 1vln h LYS 135 CO 0.53 0.04 -0.77 0.34 -2.27 0.00 0.00 179.45 177.33 1vln s ASP 136 N -6.23 3.43 -0.95 4.20 2.15 -1.26 -4.75 116.67 113.26 1vln s ASP 136 Ca -0.05 -2.51 -0.15 0.00 0.43 0.00 0.00 52.55 50.27 1vln s ASP 136 Cb 0.20 -0.84 0.19 0.00 -0.30 0.00 0.00 42.92 42.17 1vln s ASP 136 CO 0.73 -0.28 1.02 -1.10 -0.17 0.00 0.00 175.17 175.37 1vln s GLN 137 N 0.55 3.75 0.00 4.34 -1.52 -1.24 -4.90 119.66 120.64 1vln s GLN 137 Ca 0.18 -2.36 0.04 0.00 -1.95 0.00 0.00 55.36 51.28 1vln s GLN 137 Cb -0.23 -4.69 0.19 0.00 -0.22 0.00 0.00 33.01 28.06 1vln s GLN 137 CO 0.00 -1.50 1.06 1.63 -0.25 0.00 0.00 175.29 176.23 1vln n LYS 138 N 4.85 0.03 -0.37 2.91 5.02 -1.26 -2.01 118.16 127.32 1vln n LYS 138 Ca 0.21 0.35 0.12 0.00 -2.02 0.00 0.00 58.31 56.97 1vln n LYS 138 Cb 0.46 -1.50 0.32 0.00 -0.02 0.00 0.00 35.03 34.29 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 -1.41 3.95 -4.21 4.39 5.68 -1.26 -4.92 116.55 118.78 1vln n ASP 139 Ca 0.01 -2.00 -0.23 0.00 -0.50 0.00 0.00 54.79 52.08 1vln n ASP 139 Cb 0.04 -0.49 -0.13 0.00 -1.14 0.00 0.00 41.12 39.40 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 -1.01 2.19 -0.33 -2.12 1.43 -0.85 -1.10 118.68 116.89 1vln s LEU 140 Ca 0.49 -0.52 -0.08 0.00 -1.03 0.00 0.00 54.13 52.99 1vln s LEU 140 Cb 0.26 -0.78 0.02 0.00 0.03 0.00 0.00 46.19 45.71 1vln s LEU 140 CO 0.34 0.08 0.13 -0.63 0.23 0.00 0.00 176.35 176.50 1vln s ILE 141 N -0.90 4.21 -0.02 -0.59 1.01 0.44 -4.86 121.20 120.49 1vln s ILE 141 Ca 0.04 -0.78 -0.17 0.00 0.00 0.00 0.00 60.65 59.74 1vln s ILE 141 Cb -0.09 -3.26 -0.05 0.00 0.01 0.00 0.00 42.46 39.07 1vln s ILE 141 CO 0.02 -0.06 0.46 -0.76 0.00 0.00 0.00 174.94 174.60 1vln s LEU 142 N 1.51 4.42 0.16 2.97 1.43 -1.26 -0.91 118.68 127.01 1vln s LEU 142 Ca 0.02 0.97 0.07 0.00 -1.03 0.00 0.00 54.13 54.17 1vln s LEU 142 Cb -0.18 -2.68 -0.04 0.00 0.03 0.00 0.00 46.19 43.32 1vln s LEU 142 CO 0.04 0.21 -0.16 -1.10 0.23 0.00 0.00 176.35 175.58 1vln s GLN 143 N -0.53 1.21 7.72 1.70 -0.21 0.21 -4.99 119.66 124.77 1vln s GLN 143 Ca 0.25 -1.40 0.00 0.00 0.02 0.00 0.00 55.36 54.23 1vln s GLN 143 Cb -0.17 -1.14 0.00 0.00 1.00 0.00 0.00 33.01 32.70 1vln s GLN 143 CO 0.13 0.22 0.00 0.41 -2.12 0.00 0.00 175.29 173.93 1vln n GLY 144 N 0.19 3.49 0.55 3.09 0.00 -1.26 -2.24 105.19 109.01 1vln n GLY 144 Ca -0.12 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 45.87 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 4.54 1.67 -4.78 1.61 8.00 0.22 -4.94 116.55 122.87 1vln n ASP 145 Ca 0.00 -1.64 -0.41 0.00 0.71 0.00 0.00 54.79 53.45 1vln n ASP 145 Cb 0.00 -0.07 -0.00 0.00 -0.02 0.00 0.00 41.12 41.03 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 -1.86 3.59 0.02 2.24 0.00 -1.09 -4.43 121.76 120.24 1vln s ALA 146 Ca 0.34 1.59 -0.12 0.00 0.00 0.00 0.00 51.96 53.78 1vln s ALA 146 Cb 0.19 -3.62 0.01 0.00 0.00 0.00 0.00 23.12 19.70 1vln s ALA 146 CO 0.29 -1.07 0.24 0.95 0.00 0.00 0.00 175.76 176.17 1vln s THR 147 N -1.03 0.08 0.37 0.00 -4.23 -0.39 -4.76 115.64 105.69 1vln s THR 147 Ca 0.54 -0.70 0.05 0.00 -1.18 0.00 0.00 61.69 60.40 1vln s THR 147 Cb -0.47 -0.76 -0.07 0.00 1.34 0.00 0.00 72.50 72.54 1vln s THR 147 CO 0.62 -0.39 0.04 0.42 -0.54 0.00 0.00 174.62 174.78 1vln s THR 148 N -2.04 1.48 0.00 3.99 -4.23 -1.26 -1.25 115.64 112.32 1vln s THR 148 Ca -0.09 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.42 1vln s THR 148 Cb -0.03 -2.82 0.00 0.00 1.34 0.00 0.00 72.50 70.99 1vln s THR 148 CO -0.01 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.68 1vln n GLY 149 N -0.85 3.03 3.55 3.99 0.00 -0.73 -4.42 105.19 109.76 1vln n GLY 149 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.30 3.13 -0.35 2.61 2.01 -1.25 -1.59 115.64 117.90 1vln s THR 150 Ca 0.00 -0.02 0.00 0.00 0.31 0.00 0.00 61.69 61.98 1vln s THR 150 Cb 0.00 -3.32 0.00 0.00 0.01 0.00 0.00 72.50 69.19 1vln s THR 150 CO 0.00 -0.30 0.00 0.47 -0.69 0.00 0.00 174.62 174.10 1vln n ASP 151 N 15.94 -3.78 0.00 3.53 8.00 -1.26 -2.57 116.55 136.42 1vln n ASP 151 Ca 0.37 0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.96 1vln n ASP 151 Cb 0.50 -1.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.03 1vln n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vln n GLY 152 N -2.08 0.51 3.59 0.44 0.00 -0.62 -4.97 105.19 102.05 1vln n GLY 152 Ca -0.03 -0.88 -0.27 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.88 3.51 -0.22 1.61 0.01 -1.06 -1.27 114.94 114.63 1vln s ASN 153 Ca 0.00 -1.40 -0.04 0.00 -0.71 0.00 0.00 52.86 50.70 1vln s ASN 153 Cb 0.00 -0.22 -0.01 0.00 0.41 0.00 0.00 41.25 41.43 1vln s ASN 153 CO 0.00 -0.54 -0.03 -0.22 -1.51 0.00 0.00 177.10 174.80 1vln s LEU 154 N -3.67 2.96 -0.34 0.60 2.96 -0.71 -1.77 118.68 118.71 1vln s LEU 154 Ca 0.33 -0.38 -0.09 0.00 -0.22 0.00 0.00 54.13 53.77 1vln s LEU 154 Cb 0.09 -1.76 0.02 0.00 0.50 0.00 0.00 46.19 45.04 1vln s LEU 154 CO 0.16 -0.02 0.16 -1.61 -1.32 0.00 0.00 176.35 173.71 1vln s GLU 155 N 1.49 2.98 0.21 1.98 0.41 -0.38 -0.36 118.70 125.03 1vln s GLU 155 Ca 0.06 -0.96 0.09 0.00 -0.41 0.00 0.00 54.97 53.75 1vln s GLU 155 Cb -0.14 -3.59 0.13 0.00 -1.78 0.00 0.00 34.13 28.75 1vln s GLU 155 CO -0.03 -0.58 1.48 -0.07 -0.49 0.00 0.00 175.26 175.58 1vln h LEU 156 N 8.35 0.00 -9.18 1.80 3.38 -1.69 -1.03 115.31 116.94 1vln h LEU 156 Ca -0.28 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.18 1vln h LEU 156 Cb 1.12 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.73 1vln h LEU 156 CO 0.63 0.77 -0.68 0.42 0.09 0.00 0.00 178.44 179.67 1vln s THR 157 N -3.25 1.75 0.16 0.22 -4.23 -1.26 -2.61 115.64 106.42 1vln s THR 157 Ca -0.00 -2.14 -0.31 0.00 -1.18 0.00 0.00 61.69 58.05 1vln s THR 157 Cb 0.12 -2.47 -0.10 0.00 1.34 0.00 0.00 72.50 71.38 1vln s THR 157 CO 0.78 -0.29 1.67 -0.13 -0.54 0.00 0.00 174.62 176.12 1vln s ARG 158 N -3.70 4.17 0.05 3.99 1.81 -1.26 -4.86 118.95 119.14 1vln s ARG 158 Ca 0.30 2.48 0.06 0.00 -1.72 0.00 0.00 55.73 56.84 1vln s ARG 158 Cb 0.03 -3.27 -0.02 0.00 -0.45 0.00 0.00 34.95 31.24 1vln s ARG 158 CO 0.13 -0.71 -0.16 0.08 -0.68 0.00 0.00 175.30 173.96 1vln s VAL 159 N 1.64 1.24 0.67 3.52 1.01 -1.26 -0.98 120.40 126.24 1vln s VAL 159 Ca 0.74 -1.12 -0.10 0.00 0.00 0.00 0.00 61.98 61.50 1vln s VAL 159 Cb -0.45 -1.13 0.01 0.00 0.00 0.00 0.00 36.38 34.81 1vln s VAL 159 CO 0.32 -0.01 1.04 -0.94 0.00 0.00 0.00 175.10 175.52 1vln s SER 160 N -1.30 5.50 0.29 3.32 1.04 0.38 -4.95 113.70 117.99 1vln s SER 160 Ca 0.02 1.01 0.04 0.00 0.48 0.00 0.00 55.95 57.50 1vln s SER 160 Cb -0.08 -1.87 0.71 0.00 0.10 0.00 0.00 66.02 64.88 1vln s SER 160 CO 0.02 -1.25 1.72 0.77 0.98 0.00 0.00 173.24 175.47 1vln h SER 161 N -0.51 0.45 -0.05 7.02 4.64 -2.02 -1.24 113.55 121.84 1vln h SER 161 Ca -0.45 0.14 -0.05 0.00 -0.47 0.00 0.00 61.79 60.95 1vln h SER 161 Cb 1.25 0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 1vln h SER 161 CO 0.63 0.08 -0.18 -0.55 -0.87 0.00 0.00 176.83 175.94 1vln h ASN 162 N 0.49 0.25 0.00 4.97 7.08 -2.05 -3.48 115.58 122.84 1vln h ASN 162 Ca 0.55 -0.62 0.00 0.00 -3.08 0.00 0.00 56.30 53.15 1vln h ASN 162 Cb 1.00 -0.07 0.00 0.00 -2.08 0.00 0.00 38.32 37.16 1vln h ASN 162 CO -0.48 0.83 0.00 0.61 -2.08 0.00 0.00 177.43 176.31 1vln n GLY 163 N 0.61 0.24 3.75 9.14 0.00 -0.47 -5.14 105.19 113.32 1vln n GLY 163 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 1vln n GLY 163 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1vln s SER 164 N 0.00 7.21 1.06 1.61 0.15 -1.26 -4.62 113.70 117.85 1vln s SER 164 Ca 0.00 2.26 -0.13 0.00 0.70 0.00 0.00 55.95 58.78 1vln s SER 164 Cb 0.00 -2.62 0.22 0.00 -1.71 0.00 0.00 66.02 61.91 1vln s SER 164 CO 0.00 -0.21 1.08 -2.16 1.20 0.00 0.00 173.24 173.15 1vln s PRO 165 N -1.12 -0.06 0.09 5.44 0.04 -1.26 -0.47 135.00 137.66 1vln s PRO 165 Ca 0.47 0.53 0.07 0.00 0.04 0.00 0.00 61.00 62.10 1vln s PRO 165 Cb -0.32 -1.68 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 1vln s PRO 165 CO 0.40 -3.06 -0.19 -0.65 0.04 0.00 0.00 177.00 173.54 1vln s GLN 166 N -4.87 1.02 0.63 4.56 -1.52 -0.15 -4.75 119.66 114.58 1vln s GLN 166 Ca 0.66 -1.10 -0.05 0.00 -1.95 0.00 0.00 55.36 52.92 1vln s GLN 166 Cb -0.20 -1.19 0.03 0.00 -0.22 0.00 0.00 33.01 31.43 1vln s GLN 166 CO 0.59 0.27 0.93 0.20 -0.25 0.00 0.00 175.29 177.04 1vln s GLY 167 N -1.87 1.66 -1.52 3.09 0.00 -1.26 -4.39 107.32 103.03 1vln s GLY 167 Ca 0.04 -0.85 -0.08 0.00 0.00 0.00 0.00 44.72 43.83 1vln s GLY 167 CO 0.04 -0.52 0.61 1.44 0.00 0.00 0.00 173.10 174.66 1vln n SER 168 N -2.70 -1.80 -4.51 1.64 7.64 -0.97 -4.86 113.62 108.06 1vln n SER 168 Ca 0.06 -0.98 -0.30 0.00 1.01 0.00 0.00 58.87 58.67 1vln n SER 168 Cb 0.59 -3.08 -0.11 0.00 -1.01 0.00 0.00 64.21 60.60 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 -3.90 4.02 -0.03 6.43 0.15 -1.21 -4.96 113.70 114.19 1vln s SER 169 Ca 0.32 -0.50 -0.07 0.00 0.70 0.00 0.00 55.95 56.39 1vln s SER 169 Cb -0.17 -0.63 0.01 0.00 -1.71 0.00 0.00 66.02 63.52 1vln s SER 169 CO 0.89 0.19 0.16 -0.69 1.20 0.00 0.00 173.24 174.99 1vln s VAL 170 N -1.14 0.05 -0.12 4.45 1.01 -1.26 -1.98 120.40 121.40 1vln s VAL 170 Ca 0.19 -0.40 -0.30 0.00 0.00 0.00 0.00 61.98 61.46 1vln s VAL 170 Cb -0.11 -0.37 0.11 0.00 0.00 0.00 0.00 36.38 36.01 1vln s VAL 170 CO 0.11 -0.22 0.88 -0.83 0.00 0.00 0.00 175.10 175.04 1vln s GLY 171 N -0.79 -0.38 0.05 4.51 0.00 -1.07 0.70 107.32 110.34 1vln s GLY 171 Ca -0.09 1.76 -0.06 0.00 0.00 0.00 0.00 44.72 46.33 1vln s GLY 171 CO 0.01 0.99 0.11 0.50 0.00 0.00 0.00 173.10 174.72 1vln s ARG 172 N -1.17 0.66 -0.06 2.90 0.52 -0.95 -2.50 118.95 118.35 1vln s ARG 172 Ca -0.05 -0.84 -0.01 0.00 -0.52 0.00 0.00 55.73 54.31 1vln s ARG 172 Cb -0.00 0.26 0.03 0.00 0.52 0.00 0.00 34.95 35.75 1vln s ARG 172 CO 0.04 -0.18 0.02 0.00 0.02 0.00 0.00 175.30 175.21 1vln s ALA 173 N -3.03 0.54 0.01 2.13 0.00 -0.63 -0.61 121.76 120.15 1vln s ALA 173 Ca -0.01 -0.01 0.08 0.00 0.00 0.00 0.00 51.96 52.01 1vln s ALA 173 Cb 0.01 -0.68 -0.02 0.00 0.00 0.00 0.00 23.12 22.43 1vln s ALA 173 CO -0.07 -0.44 -0.25 -0.51 0.00 0.00 0.00 175.76 174.50 1vln s LEU 174 N 1.96 2.18 0.26 0.00 1.02 -0.08 -1.32 118.68 122.69 1vln s LEU 174 Ca 0.04 -0.49 -0.30 0.00 0.02 0.00 0.00 54.13 53.40 1vln s LEU 174 Cb -0.12 -1.35 -0.10 0.00 0.02 0.00 0.00 46.19 44.64 1vln s LEU 174 CO -0.04 0.30 1.33 0.12 0.02 0.00 0.00 176.35 178.08 1vln s PHE 175 N -0.71 3.14 0.12 0.29 5.36 -0.82 -0.42 117.98 124.95 1vln s PHE 175 Ca 0.11 1.25 -0.22 0.00 -0.96 0.00 0.00 56.93 57.11 1vln s PHE 175 Cb -0.10 -3.67 -0.04 0.00 -0.34 0.00 0.00 43.02 38.86 1vln s PHE 175 CO 0.01 -2.02 1.68 -0.92 -1.46 0.00 0.00 175.22 172.50 1vln h TYR 176 N 4.58 -0.30 -3.61 10.12 5.03 -1.45 -3.44 116.97 127.89 1vln h TYR 176 Ca -0.46 0.02 -0.51 0.00 2.58 0.00 0.00 58.73 60.35 1vln h TYR 176 Cb 1.22 0.15 -0.00 0.00 1.55 0.00 0.00 36.73 39.65 1vln h TYR 176 CO 0.59 -0.18 0.44 0.00 -1.32 0.00 0.00 178.16 177.70 1vln s ALA 177 N -6.16 3.35 0.69 1.82 0.00 -1.26 -5.03 121.76 115.17 1vln s ALA 177 Ca -0.14 0.77 -0.14 0.00 0.00 0.00 0.00 51.96 52.44 1vln s ALA 177 Cb 0.09 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 19.91 1vln s ALA 177 CO 0.67 -0.13 1.13 -2.14 0.00 0.00 0.00 175.76 175.29 1vln s PRO 178 N -0.53 2.58 -0.09 0.00 0.02 -1.26 -4.89 135.00 130.83 1vln s PRO 178 Ca 0.47 1.44 0.04 0.00 0.02 0.00 0.00 61.00 62.97 1vln s PRO 178 Cb -0.28 -1.92 -0.01 0.00 0.02 0.00 0.00 34.50 32.31 1vln s PRO 178 CO 0.35 -1.43 -0.22 0.08 -0.33 0.00 0.00 177.00 175.45 1vln s VAL 179 N -2.34 2.27 -1.09 3.83 1.01 0.40 -4.95 120.40 119.54 1vln s VAL 179 Ca 0.68 -0.96 -0.17 0.00 0.00 0.00 0.00 61.98 61.52 1vln s VAL 179 Cb -0.22 -1.87 0.13 0.00 0.00 0.00 0.00 36.38 34.42 1vln s VAL 179 CO 0.44 0.56 1.37 -2.28 0.00 0.00 0.00 175.10 175.18 1vln s HIS 180 N 0.14 3.13 0.37 5.22 2.46 -1.26 -0.68 115.29 124.67 1vln s HIS 180 Ca -0.12 -1.61 0.16 0.00 0.47 0.00 0.00 55.06 53.96 1vln s HIS 180 Cb -0.16 -4.42 0.89 0.00 -0.13 0.00 0.00 32.58 28.76 1vln s HIS 180 CO 0.06 -1.56 1.89 0.97 -2.47 0.00 0.00 174.74 173.63 1vln h ILE 181 N 5.52 1.09 -3.49 0.89 6.09 -1.70 -3.46 117.51 122.44 1vln h ILE 181 Ca 0.26 -1.06 -0.05 0.00 -1.37 0.00 0.00 64.86 62.63 1vln h ILE 181 Cb 0.95 1.59 -0.12 0.00 0.47 0.00 0.00 36.82 39.71 1vln h ILE 181 CO 1.25 0.29 -0.11 -1.66 -3.07 0.00 0.00 178.15 174.85 1vln s TRP 182 N -4.22 -0.03 0.05 2.19 1.48 -1.24 -4.79 118.94 112.39 1vln s TRP 182 Ca -0.03 -0.31 -0.21 0.00 -1.06 0.00 0.00 56.10 54.49 1vln s TRP 182 Cb 0.14 0.21 0.05 0.00 -1.16 0.00 0.00 33.47 32.71 1vln s TRP 182 CO 0.69 -0.76 0.49 -2.00 -4.06 0.00 0.00 176.95 171.31 1vln s GLU 183 N -3.86 1.02 0.26 3.25 2.12 -1.26 -4.76 118.70 115.46 1vln s GLU 183 Ca 0.08 -0.30 0.07 0.00 0.36 0.00 0.00 54.97 55.18 1vln s GLU 183 Cb 0.01 0.46 0.34 0.00 0.26 0.00 0.00 34.13 35.21 1vln s GLU 183 CO -0.07 -0.37 1.61 0.77 -0.54 0.00 0.00 175.26 176.66 1vln h SER 184 N 2.79 0.14 0.18 -1.70 0.02 -2.02 -3.20 113.55 109.76 1vln h SER 184 Ca -0.31 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1vln h SER 184 Cb 1.22 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1vln h SER 184 CO 0.42 0.69 -0.15 -1.20 -1.14 0.00 0.00 176.83 175.45 1vln n SER 185 N -3.87 1.02 -4.67 3.07 7.64 -1.26 -4.92 113.62 110.63 1vln n SER 185 Ca -0.02 -1.00 -0.42 0.00 1.01 0.00 0.00 58.87 58.43 1vln n SER 185 Cb 0.59 0.06 -0.03 0.00 -1.01 0.00 0.00 64.21 63.82 1vln n SER 185 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vln s ALA 186 N -2.34 3.62 0.09 -0.43 0.00 -1.21 -1.81 121.76 119.68 1vln s ALA 186 Ca 0.30 0.85 -0.13 0.00 0.00 0.00 0.00 51.96 52.98 1vln s ALA 186 Cb 0.20 -3.66 -0.17 0.00 0.00 0.00 0.00 23.12 19.48 1vln s ALA 186 CO 0.46 -1.15 1.28 0.28 0.00 0.00 0.00 175.76 176.63 1vln h VAL 187 N 5.24 1.28 -3.56 0.00 2.07 0.15 -3.45 116.25 117.98 1vln h VAL 187 Ca -0.37 -2.02 -0.26 0.00 0.82 0.00 0.00 66.70 64.88 1vln h VAL 187 Cb 1.17 2.07 -0.31 0.00 -1.52 0.00 0.00 31.29 32.70 1vln h VAL 187 CO 0.93 0.64 -0.69 -0.69 0.02 0.00 0.00 177.57 177.78 1vln s VAL 188 N -3.66 -0.03 -0.02 2.57 1.01 -1.12 -4.90 120.40 114.25 1vln s VAL 188 Ca -0.10 0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.00 1vln s VAL 188 Cb 0.08 -0.08 0.01 0.00 0.00 0.00 0.00 36.38 36.39 1vln s VAL 188 CO 0.91 0.05 -0.04 0.00 0.00 0.00 0.00 175.10 176.01 1vln s ALA 189 N 0.59 0.52 0.20 5.51 0.00 -1.26 -1.07 121.76 126.24 1vln s ALA 189 Ca -0.05 -0.11 -0.22 0.00 0.00 0.00 0.00 51.96 51.58 1vln s ALA 189 Cb -0.07 -0.25 0.05 0.00 0.00 0.00 0.00 23.12 22.85 1vln s ALA 189 CO -0.02 0.05 0.64 -1.54 0.00 0.00 0.00 175.76 174.88 1vln s SER 190 N 0.41 -0.47 -0.02 0.00 1.04 -0.92 -0.19 113.70 113.55 1vln s SER 190 Ca -0.05 -0.20 -0.19 0.00 0.48 0.00 0.00 55.95 55.99 1vln s SER 190 Cb -0.08 0.64 0.04 0.00 0.10 0.00 0.00 66.02 66.71 1vln s SER 190 CO -0.00 -1.09 0.41 0.72 0.98 0.00 0.00 173.24 174.26 1vln s PHE 191 N -3.80 -0.31 -0.02 5.02 -0.12 -0.46 -1.81 117.98 116.47 1vln s PHE 191 Ca 0.04 0.48 -0.01 0.00 -0.05 0.00 0.00 56.93 57.39 1vln s PHE 191 Cb -0.03 0.19 0.01 0.00 -0.63 0.00 0.00 43.02 42.56 1vln s PHE 191 CO -0.07 -0.46 0.04 -1.83 -0.05 0.00 0.00 175.22 172.85 1vln s GLU 192 N -1.40 0.02 0.09 1.99 -1.05 -0.76 -1.27 118.70 116.33 1vln s GLU 192 Ca -0.12 0.11 0.07 0.00 -0.15 0.00 0.00 54.97 54.88 1vln s GLU 192 Cb -0.03 -0.08 -0.03 0.00 -0.44 0.00 0.00 34.13 33.54 1vln s GLU 192 CO 0.05 -0.07 -0.18 0.00 0.95 0.00 0.00 175.26 176.01 1vln s ALA 193 N 0.44 1.55 -0.06 -0.84 0.00 -0.20 -1.93 121.76 120.71 1vln s ALA 193 Ca -0.04 -1.16 -0.09 0.00 0.00 0.00 0.00 51.96 50.67 1vln s ALA 193 Cb -0.05 -0.18 0.02 0.00 0.00 0.00 0.00 23.12 22.91 1vln s ALA 193 CO -0.01 0.27 0.23 0.99 0.00 0.00 0.00 175.76 177.24 1vln s THR 194 N -1.27 0.03 -0.06 0.00 2.01 -0.73 -1.31 115.64 114.30 1vln s THR 194 Ca 0.03 -0.21 -0.20 0.00 0.31 0.00 0.00 61.69 61.62 1vln s THR 194 Cb -0.10 -0.41 0.04 0.00 0.01 0.00 0.00 72.50 72.05 1vln s THR 194 CO 0.03 -0.11 0.46 0.72 -0.69 0.00 0.00 174.62 175.04 1vln s PHE 195 N -0.39 -0.41 -0.09 4.92 -0.71 -0.92 -0.77 117.98 119.61 1vln s PHE 195 Ca -0.05 0.76 0.00 0.00 -1.04 0.00 0.00 56.93 56.61 1vln s PHE 195 Cb -0.03 0.21 -0.03 0.00 -1.21 0.00 0.00 43.02 41.96 1vln s PHE 195 CO 0.01 -0.43 -0.08 0.95 -1.34 0.00 0.00 175.22 174.33 1vln s THR 196 N -0.94 3.57 0.21 -4.49 -4.23 -0.95 -1.39 115.64 107.42 1vln s THR 196 Ca -0.10 -0.51 0.03 0.00 -1.18 0.00 0.00 61.69 59.93 1vln s THR 196 Cb -0.03 -2.47 -0.05 0.00 1.34 0.00 0.00 72.50 71.28 1vln s THR 196 CO 0.05 0.57 -0.02 0.72 -0.54 0.00 0.00 174.62 175.40 1vln s PHE 197 N -0.47 1.45 -0.17 3.99 -0.71 -0.83 -0.38 117.98 120.87 1vln s PHE 197 Ca 0.07 -0.90 -0.04 0.00 -1.04 0.00 0.00 56.93 55.01 1vln s PHE 197 Cb -0.12 -0.82 0.06 0.00 -1.21 0.00 0.00 43.02 40.93 1vln s PHE 197 CO 0.02 -0.04 0.07 -1.17 -1.34 0.00 0.00 175.22 172.76 1vln s LEU 198 N -3.26 0.54 -0.21 -1.99 2.96 -0.81 -1.32 118.68 114.59 1vln s LEU 198 Ca 0.25 -0.61 -0.04 0.00 -0.22 0.00 0.00 54.13 53.52 1vln s LEU 198 Cb 0.05 -0.33 -0.01 0.00 0.50 0.00 0.00 46.19 46.40 1vln s LEU 198 CO 0.06 -0.33 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.11 1vln s ILE 199 N 2.07 3.59 -0.03 6.68 1.01 -1.26 -3.05 121.20 130.21 1vln s ILE 199 Ca 0.02 -0.43 0.02 0.00 0.00 0.00 0.00 60.65 60.26 1vln s ILE 199 Cb -0.16 -2.63 0.01 0.00 0.01 0.00 0.00 42.46 39.69 1vln s ILE 199 CO -0.08 0.42 -0.10 -0.54 0.00 0.00 0.00 174.94 174.64 1vln s LYS 200 N 1.28 1.11 -0.04 2.79 1.02 -1.25 -0.67 119.74 123.98 1vln s LYS 200 Ca 0.03 -0.32 0.02 0.00 0.02 0.00 0.00 55.97 55.72 1vln s LYS 200 Cb -0.14 -1.01 0.01 0.00 -0.52 0.00 0.00 37.83 36.16 1vln s LYS 200 CO -0.01 0.09 -0.09 0.45 -0.92 0.00 0.00 175.35 174.87 1vln s SER 201 N 0.32 1.37 0.00 2.83 0.15 -1.26 -0.55 113.70 116.56 1vln s SER 201 Ca -0.06 -0.22 0.25 0.00 0.70 0.00 0.00 55.95 56.63 1vln s SER 201 Cb -0.10 -0.53 0.51 0.00 -1.71 0.00 0.00 66.02 64.19 1vln s SER 201 CO 0.01 0.03 1.44 -0.81 1.20 0.00 0.00 173.24 175.11 1vln n PRO 202 N 3.63 2.10 -2.92 5.44 -0.04 -1.26 -4.98 135.00 136.96 1vln n PRO 202 Ca -0.22 -1.60 -0.15 0.00 -0.04 0.00 0.00 63.50 61.50 1vln n PRO 202 Cb 0.52 -1.47 -0.01 0.00 -0.04 0.00 0.00 33.50 32.51 1vln n PRO 202 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1vln n ASP 203 N 0.93 2.17 -0.39 3.54 5.68 -1.26 -5.05 116.55 122.17 1vln n ASP 203 Ca 0.16 -2.03 -0.07 0.00 -0.50 0.00 0.00 54.79 52.35 1vln n ASP 203 Cb 0.51 0.05 -0.05 0.00 -1.14 0.00 0.00 41.12 40.49 1vln n ASP 203 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1vln n SER 204 N -1.67 -0.88 -3.74 -1.12 7.64 -1.26 -4.59 113.62 108.00 1vln n SER 204 Ca -0.04 1.71 -0.12 0.00 1.01 0.00 0.00 58.87 61.42 1vln n SER 204 Cb 0.32 -0.28 -0.11 0.00 -1.01 0.00 0.00 64.21 63.13 1vln n SER 204 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1vln s HIS 205 N -5.64 -0.43 0.69 1.43 5.65 -1.26 -5.16 115.29 110.57 1vln s HIS 205 Ca -0.12 1.01 -0.12 0.00 0.25 0.00 0.00 55.06 56.07 1vln s HIS 205 Cb 0.14 0.15 0.01 0.00 -1.18 0.00 0.00 32.58 31.70 1vln s HIS 205 CO 0.63 -0.23 1.07 -1.25 -0.65 0.00 0.00 174.74 174.32 1vln s PRO 206 N 0.59 2.86 -0.09 2.88 0.04 -1.26 -4.47 135.00 135.54 1vln s PRO 206 Ca -0.03 1.10 -0.30 0.00 0.04 0.00 0.00 61.00 61.81 1vln s PRO 206 Cb -0.05 -1.97 0.10 0.00 0.04 0.00 0.00 34.50 32.62 1vln s PRO 206 CO -0.04 -1.17 0.85 0.00 0.04 0.00 0.00 177.00 176.68 1vln s ALA 207 N -2.81 -1.85 -0.12 8.56 0.00 -1.26 -4.04 121.76 120.24 1vln s ALA 207 Ca 0.61 1.37 0.08 0.00 0.00 0.00 0.00 51.96 54.01 1vln s ALA 207 Cb -0.16 -0.25 -0.11 0.00 0.00 0.00 0.00 23.12 22.61 1vln s ALA 207 CO 0.50 -0.40 0.21 -0.25 0.00 0.00 0.00 175.76 175.82 1vln n ASP 208 N 0.63 2.32 0.00 0.00 9.92 0.24 -3.36 116.55 126.30 1vln n ASP 208 Ca -0.14 -0.22 0.00 0.00 -0.53 0.00 0.00 54.79 53.91 1vln n ASP 208 Cb 0.58 1.24 0.00 0.00 -0.64 0.00 0.00 41.12 42.30 1vln n ASP 208 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1vln n GLY 209 N 1.78 1.41 3.51 0.44 0.00 -1.22 -1.84 105.19 109.27 1vln n GLY 209 Ca -0.00 -1.98 -0.25 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.19 2.31 -0.26 -0.61 1.01 -0.80 -2.70 121.20 118.96 1vln s ILE 210 Ca 0.00 -2.28 -0.17 0.00 0.00 0.00 0.00 60.65 58.20 1vln s ILE 210 Cb 0.00 -2.51 0.07 0.00 0.01 0.00 0.00 42.46 40.04 1vln s ILE 210 CO 0.00 -0.28 0.65 0.00 0.00 0.00 0.00 174.94 175.31 1vln s ALA 211 N -2.59 -1.72 -0.15 9.38 0.00 0.13 -0.61 121.76 126.21 1vln s ALA 211 Ca 0.31 2.17 -0.18 0.00 0.00 0.00 0.00 51.96 54.26 1vln s ALA 211 Cb -0.00 -1.28 -0.04 0.00 0.00 0.00 0.00 23.12 21.80 1vln s ALA 211 CO 0.16 -0.35 0.48 0.12 0.00 0.00 0.00 175.76 176.17 1vln s PHE 212 N 1.23 3.47 0.18 0.00 5.36 -0.75 -0.50 117.98 126.96 1vln s PHE 212 Ca -0.07 0.84 0.06 0.00 -0.96 0.00 0.00 56.93 56.80 1vln s PHE 212 Cb -0.05 -2.58 -0.05 0.00 -0.34 0.00 0.00 43.02 40.00 1vln s PHE 212 CO -0.13 0.09 -0.12 -0.59 -1.46 0.00 0.00 175.22 173.01 1vln s PHE 213 N 0.93 1.47 -0.09 10.12 -0.71 0.01 -1.52 117.98 128.19 1vln s PHE 213 Ca 0.25 -0.68 0.02 0.00 -1.04 0.00 0.00 56.93 55.48 1vln s PHE 213 Cb -0.15 -0.72 0.01 0.00 -1.21 0.00 0.00 43.02 40.95 1vln s PHE 213 CO 0.10 0.20 -0.14 0.42 -1.34 0.00 0.00 175.22 174.46 1vln s ILE 214 N -3.17 1.30 0.35 -4.49 1.01 -0.18 -1.44 121.20 114.58 1vln s ILE 214 Ca 0.20 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.31 1vln s ILE 214 Cb 0.01 -1.20 -0.01 0.00 0.01 0.00 0.00 42.46 41.28 1vln s ILE 214 CO 0.04 0.40 0.42 -0.94 0.00 0.00 0.00 174.94 174.85 1vln s SER 215 N 0.83 1.21 0.36 3.58 1.04 -0.47 -2.08 113.70 118.18 1vln s SER 215 Ca -0.11 -1.60 -0.28 0.00 0.48 0.00 0.00 55.95 54.45 1vln s SER 215 Cb -0.15 0.64 -0.10 0.00 0.10 0.00 0.00 66.02 66.51 1vln s SER 215 CO 0.01 -1.24 1.31 0.54 0.98 0.00 0.00 173.24 174.85 1vln s ASN 216 N -3.29 6.56 0.45 7.02 4.22 -1.22 -0.71 114.94 127.97 1vln s ASN 216 Ca 0.34 2.69 0.32 0.00 -2.14 0.00 0.00 52.86 54.06 1vln s ASN 216 Cb 0.00 -2.64 1.44 0.00 1.28 0.00 0.00 41.25 41.33 1vln s ASN 216 CO 0.23 -0.68 1.64 0.40 -2.04 0.00 0.00 177.10 176.66 1vln h ILE 217 N 2.79 0.17 -0.67 0.54 2.04 -1.85 -0.66 117.51 119.87 1vln h ILE 217 Ca -0.49 -0.03 -0.17 0.00 1.00 0.00 0.00 64.86 65.16 1vln h ILE 217 Cb 1.23 0.06 -0.10 0.00 -0.74 0.00 0.00 36.82 37.27 1vln h ILE 217 CO 0.64 0.02 0.22 -0.90 0.00 0.00 0.00 178.15 178.13 1vln n ASP 218 N -4.57 4.78 -4.77 1.72 5.75 -1.26 -4.84 116.55 113.36 1vln n ASP 218 Ca 0.36 -3.08 -0.40 0.00 -0.01 0.00 0.00 54.79 51.65 1vln n ASP 218 Cb 1.43 -0.72 0.00 0.00 -1.03 0.00 0.00 41.12 40.80 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 -0.86 6.25 0.03 -1.12 0.15 -0.25 -5.05 113.70 112.85 1vln s SER 219 Ca 0.51 2.93 -0.02 0.00 0.70 0.00 0.00 55.95 60.07 1vln s SER 219 Cb 0.40 -2.66 -0.02 0.00 -1.71 0.00 0.00 66.02 62.03 1vln s SER 219 CO 0.13 -0.92 0.00 -0.94 1.20 0.00 0.00 173.24 172.71 1vln s SER 220 N -0.36 0.28 0.10 5.45 1.04 -1.26 -5.09 113.70 113.85 1vln s SER 220 Ca 0.55 -0.61 -0.32 0.00 0.48 0.00 0.00 55.95 56.05 1vln s SER 220 Cb -0.44 0.15 -0.11 0.00 0.10 0.00 0.00 66.02 65.72 1vln s SER 220 CO 0.58 -0.41 1.81 -0.38 0.98 0.00 0.00 173.24 175.82 1vln n ILE 221 N 1.09 0.34 -1.69 -1.02 5.41 -1.26 -4.97 119.36 117.27 1vln n ILE 221 Ca -0.21 -0.06 -0.33 0.00 1.00 0.00 0.00 62.75 63.15 1vln n ILE 221 Cb 0.57 -2.00 0.05 0.00 -0.71 0.00 0.00 39.64 37.55 1vln n ILE 221 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1vln s PRO 222 N 2.66 2.69 0.31 0.38 0.02 -1.26 -4.98 135.00 134.82 1vln s PRO 222 Ca 0.83 1.41 -0.29 0.00 0.02 0.00 0.00 61.00 62.97 1vln s PRO 222 Cb -0.54 -1.94 -0.10 0.00 0.02 0.00 0.00 34.50 31.94 1vln s PRO 222 CO 0.39 -1.34 1.29 -1.12 -0.33 0.00 0.00 177.00 175.89 1vln s SER 223 N -2.59 6.84 -1.41 2.53 0.01 -1.26 -3.28 113.70 114.53 1vln s SER 223 Ca 0.67 2.62 -0.10 0.00 1.31 0.00 0.00 55.95 60.45 1vln s SER 223 Cb -0.21 -2.64 0.03 0.00 0.21 0.00 0.00 66.02 63.41 1vln s SER 223 CO 0.43 -0.49 1.10 0.61 0.41 0.00 0.00 173.24 175.30 1vln n GLY 224 N 0.99 -0.52 1.57 3.44 0.00 -1.26 -4.78 105.19 104.62 1vln n GLY 224 Ca 0.00 0.23 -0.06 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.96 3.69 -4.88 1.61 3.41 -1.21 -4.93 113.62 108.34 1vln n SER 225 Ca -0.00 -3.44 -0.30 0.00 -0.26 0.00 0.00 58.87 54.87 1vln n SER 225 Cb 0.56 -0.69 0.06 0.00 -0.26 0.00 0.00 64.21 63.88 1vln n SER 225 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1vln s THR 226 N -3.11 2.95 0.00 6.66 -4.23 -1.26 -0.50 115.64 116.16 1vln s THR 226 Ca 0.50 0.31 0.00 0.00 -1.18 0.00 0.00 61.69 61.32 1vln s THR 226 Cb 0.42 -3.29 0.00 0.00 1.34 0.00 0.00 72.50 70.97 1vln s THR 226 CO 0.08 -0.40 0.00 0.61 -0.54 0.00 0.00 174.62 174.36 1vln n GLY 227 N -3.04 3.16 0.28 3.99 0.00 -0.99 -3.50 105.19 105.10 1vln n GLY 227 Ca 0.07 -0.16 0.17 0.00 0.00 0.00 0.00 46.02 46.11 1vln n GLY 227 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1vln h ARG 228 N 0.00 0.00 -0.10 1.61 0.11 -1.89 -2.03 114.38 112.09 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 -2.77 1.93 -1.19 0.08 4.77 -1.23 -4.96 117.00 113.64 1vln n LEU 229 Ca -0.02 -0.72 -0.10 0.00 -0.03 0.00 0.00 56.01 55.13 1vln n LEU 229 Cb 0.14 -0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.12 1vln n LEU 229 CO 0.15 0.36 -0.10 0.18 -1.33 0.00 0.00 177.39 176.65 1vln n LEU 230 N 0.50 -0.70 -0.24 2.23 4.77 -0.76 -1.27 117.00 121.52 1vln n LEU 230 Ca 0.17 0.26 -0.03 0.00 -0.03 0.00 0.00 56.01 56.38 1vln n LEU 230 Cb 0.40 -1.82 -0.01 0.00 -2.33 0.00 0.00 43.42 39.66 1vln n LEU 230 CO 0.15 -0.61 -0.03 0.61 -1.33 0.00 0.00 177.39 176.18 1vln n GLY 231 N -0.13 0.63 0.01 -0.72 0.00 0.35 -3.96 105.19 101.36 1vln n GLY 231 Ca -0.10 -0.67 -0.01 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.36 0.64 -4.39 0.99 4.77 -0.40 -4.45 117.00 113.81 1vln n LEU 232 Ca -0.03 -0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.65 1vln n LEU 232 Cb 0.13 0.02 -0.13 0.00 -2.33 0.00 0.00 43.42 41.10 1vln n LEU 232 CO 0.05 0.15 -0.56 -0.36 -1.33 0.00 0.00 177.39 175.33 1vln s PHE 233 N -2.04 2.34 -0.12 -1.77 0.40 -1.12 -4.81 117.98 110.85 1vln s PHE 233 Ca -0.01 -0.38 0.15 0.00 -0.60 0.00 0.00 56.93 56.09 1vln s PHE 233 Cb 0.01 -1.31 -0.05 0.00 0.51 0.00 0.00 43.02 42.18 1vln s PHE 233 CO 0.07 0.28 1.12 -1.00 0.70 0.00 0.00 175.22 176.38 1vln h PRO 234 N 4.17 0.00 -4.82 0.24 0.13 -1.91 -3.41 132.00 126.40 1vln h PRO 234 Ca -0.49 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.23 1vln h PRO 234 Cb 1.16 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.15 1vln h PRO 234 CO 0.41 0.42 -0.53 0.16 -0.23 0.00 0.00 178.00 178.23 1vln s ASP 235 N -6.13 1.29 -0.54 1.44 1.47 -1.26 -4.83 116.67 108.10 1vln s ASP 235 Ca 0.00 -1.64 0.02 0.00 1.18 0.00 0.00 52.55 52.12 1vln s ASP 235 Cb 0.08 0.50 0.42 0.00 -0.34 0.00 0.00 42.92 43.58 1vln s ASP 235 CO 0.78 -0.99 1.53 0.00 0.68 0.00 0.00 175.17 177.18 1vln n ALA 236 N -0.53 5.66 1.06 2.11 0.00 -1.26 -4.75 120.51 122.79 1vln n ALA 236 Ca 0.05 -3.96 0.12 0.00 0.00 0.00 0.00 53.44 49.65 1vln n ALA 236 Cb 0.64 -1.07 0.15 0.00 0.00 0.00 0.00 19.45 19.16 1vln n ALA 236 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59