#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vdr s LEU 3 N 0.00 4.60 -0.02 -1.84 2.96 -1.26 -1.73 118.68 121.38 1vdr s LEU 3 Ca 0.00 -0.38 0.03 0.00 -0.22 0.00 0.00 54.13 53.56 1vdr s LEU 3 Cb 0.00 -2.48 0.00 0.00 0.50 0.00 0.00 46.19 44.21 1vdr s LEU 3 CO 0.00 -0.54 -0.10 0.54 -1.32 0.00 0.00 176.35 174.93 1vdr s VAL 4 N 2.29 0.83 -0.13 1.68 0.11 -0.96 -1.18 120.40 123.04 1vdr s VAL 4 Ca 0.15 -0.40 -0.04 0.00 -2.93 0.00 0.00 61.98 58.76 1vdr s VAL 4 Cb -0.16 -0.73 -0.03 0.00 -1.53 0.00 0.00 36.38 33.93 1vdr s VAL 4 CO 0.14 0.25 0.01 -0.94 -3.33 0.00 0.00 175.10 171.23 1vdr s SER 5 N 0.09 5.25 -0.18 3.54 1.04 -0.99 -1.02 113.70 121.43 1vdr s SER 5 Ca -0.02 0.07 -0.12 0.00 0.48 0.00 0.00 55.95 56.36 1vdr s SER 5 Cb -0.08 -1.70 -0.05 0.00 0.10 0.00 0.00 66.02 64.30 1vdr s SER 5 CO 0.00 0.27 0.22 -0.69 0.98 0.00 0.00 173.24 174.03 1vdr s VAL 6 N -0.24 5.35 -0.22 5.02 1.01 -1.08 -0.73 120.40 129.49 1vdr s VAL 6 Ca 0.06 0.39 -0.21 0.00 0.00 0.00 0.00 61.98 62.22 1vdr s VAL 6 Cb -0.12 -3.56 0.06 0.00 0.00 0.00 0.00 36.38 32.75 1vdr s VAL 6 CO 0.02 0.40 0.60 0.00 0.00 0.00 0.00 175.10 176.12 1vdr s ALA 7 N 0.52 -1.49 -0.19 5.51 0.00 -0.63 -4.48 121.76 121.00 1vdr s ALA 7 Ca 0.13 1.69 -0.05 0.00 0.00 0.00 0.00 51.96 53.73 1vdr s ALA 7 Cb -0.12 -0.97 -0.02 0.00 0.00 0.00 0.00 23.12 22.00 1vdr s ALA 7 CO 0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 175.76 175.48 1vdr s ALA 8 N 0.30 3.01 0.01 0.00 0.00 -1.26 -1.38 121.76 122.43 1vdr s ALA 8 Ca -0.00 -0.95 -0.02 0.00 0.00 0.00 0.00 51.96 50.99 1vdr s ALA 8 Cb -0.04 -1.71 -0.01 0.00 0.00 0.00 0.00 23.12 21.36 1vdr s ALA 8 CO 0.01 -0.06 0.02 -0.48 0.00 0.00 0.00 175.76 175.26 1vdr s LEU 9 N 0.84 1.99 0.87 0.00 2.34 -1.00 -4.59 118.68 119.13 1vdr s LEU 9 Ca 0.00 -0.25 -0.12 0.00 0.06 0.00 0.00 54.13 53.82 1vdr s LEU 9 Cb -0.14 0.21 0.15 0.00 -0.56 0.00 0.00 46.19 45.85 1vdr s LEU 9 CO 0.02 -0.21 1.22 0.00 -1.06 0.00 0.00 176.35 176.31 1vdr s ALA 10 N -0.94 2.61 0.22 1.48 0.00 -0.70 -1.23 121.76 123.20 1vdr s ALA 10 Ca -0.10 -1.14 0.26 0.00 0.00 0.00 0.00 51.96 50.98 1vdr s ALA 10 Cb -0.06 -2.69 1.41 0.00 0.00 0.00 0.00 23.12 21.78 1vdr s ALA 10 CO -0.00 -2.04 1.77 0.93 0.00 0.00 0.00 175.76 176.41 1vdr h GLU 11 N -1.27 0.00 -0.53 0.00 5.08 -1.87 -0.38 114.58 115.60 1vdr h GLU 11 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1vdr h GLU 11 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1vdr h GLU 11 CO 0.46 0.00 0.00 0.27 -1.00 0.00 0.00 179.01 178.74 1vdr n ASN 12 N -2.51 3.61 0.00 1.42 0.23 -1.26 -4.94 115.26 111.81 1vdr n ASN 12 Ca -0.02 -1.98 0.00 0.00 -0.53 0.00 0.00 54.58 52.05 1vdr n ASN 12 Cb 0.19 -0.35 0.00 0.00 -2.08 0.00 0.00 39.78 37.54 1vdr n ASN 12 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1vdr n ARG 13 N 1.46 -0.48 -2.16 -3.83 1.74 -0.15 -5.00 116.66 108.24 1vdr n ARG 13 Ca 0.21 0.12 -0.42 0.00 -0.77 0.00 0.00 57.85 56.99 1vdr n ARG 13 Cb 0.59 -3.48 -0.03 0.00 -1.02 0.00 0.00 32.46 28.52 1vdr n ARG 13 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1vdr s VAL 14 N -1.81 3.37 -0.07 1.55 1.01 -1.25 -1.60 120.40 121.59 1vdr s VAL 14 Ca 0.00 0.94 0.13 0.00 0.00 0.00 0.00 61.98 63.05 1vdr s VAL 14 Cb 0.00 -3.60 -0.20 0.00 0.00 0.00 0.00 36.38 32.58 1vdr s VAL 14 CO 0.00 0.05 0.20 2.30 0.00 0.00 0.00 175.10 177.65 1vdr n ILE 15 N 4.13 0.41 -3.63 2.22 -5.35 -0.89 -1.72 119.36 114.53 1vdr n ILE 15 Ca 0.12 -0.44 -0.15 0.00 -0.27 0.00 0.00 62.75 62.01 1vdr n ILE 15 Cb 0.42 -0.19 -0.07 0.00 -1.74 0.00 0.00 39.64 38.06 1vdr n ILE 15 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1vdr s GLY 16 N -4.11 -0.37 -0.07 3.28 0.00 -1.18 -4.28 107.32 100.58 1vdr s GLY 16 Ca -0.06 0.77 -0.02 0.00 0.00 0.00 0.00 44.72 45.42 1vdr s GLY 16 CO 0.58 0.49 0.01 -1.60 0.00 0.00 0.00 173.10 172.58 1vdr s ARG 17 N -1.48 0.51 0.00 2.90 3.52 -0.95 -1.55 118.95 121.91 1vdr s ARG 17 Ca -0.11 0.13 0.00 0.00 -0.13 0.00 0.00 55.73 55.62 1vdr s ARG 17 Cb -0.02 -0.96 0.00 0.00 -1.56 0.00 0.00 34.95 32.41 1vdr s ARG 17 CO 0.06 -0.32 0.00 -0.25 -0.81 0.00 0.00 175.30 173.97 1vdr n ASP 18 N 5.17 0.00 0.04 -2.12 9.92 -1.26 -3.08 116.55 125.22 1vdr n ASP 18 Ca -0.07 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.19 1vdr n ASP 18 Cb 0.50 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.98 1vdr n ASP 18 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1vdr n GLY 19 N 0.00 -0.06 0.00 0.44 0.00 -1.26 -5.06 105.19 99.25 1vdr n GLY 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1vdr n GLY 19 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vdr n GLU 20 N -3.07 1.63 -0.18 1.61 1.02 -1.18 -4.84 120.64 115.64 1vdr n GLU 20 Ca 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.07 1vdr n GLU 20 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.41 1vdr n GLU 20 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1vdr n LEU 21 N 0.00 0.09 0.23 -4.62 4.77 -1.26 -2.24 117.00 113.97 1vdr n LEU 21 Ca 0.00 0.12 0.06 0.00 -0.03 0.00 0.00 56.01 56.17 1vdr n LEU 21 Cb 0.00 -0.09 0.52 0.00 -2.33 0.00 0.00 43.42 41.52 1vdr n LEU 21 CO 0.00 -0.12 0.89 1.55 -1.33 0.00 0.00 177.39 178.38 1vdr h PRO 22 N 0.47 0.00 -6.22 3.23 0.13 -1.86 -3.44 132.00 124.32 1vdr h PRO 22 Ca -0.05 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.56 1vdr h PRO 22 Cb 0.14 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.26 1vdr h PRO 22 CO 0.09 0.20 -0.36 1.67 -0.23 0.00 0.00 178.00 179.38 1vdr s TRP 23 N -4.50 3.48 0.00 1.56 -2.14 -1.26 -4.98 118.94 111.10 1vdr s TRP 23 Ca -0.04 0.26 0.00 0.00 2.66 0.00 0.00 56.10 58.98 1vdr s TRP 23 Cb 0.15 -1.79 0.00 0.00 -3.10 0.00 0.00 33.47 28.73 1vdr s TRP 23 CO 0.68 0.39 0.00 -0.35 -2.66 0.00 0.00 176.95 175.01 1vdr n PRO 24 N -0.85 0.00 0.00 3.25 -0.04 -1.26 -4.99 135.00 131.11 1vdr n PRO 24 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1vdr n PRO 24 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 1vdr n PRO 24 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1vdr n SER 25 N 0.00 0.00 -3.44 3.54 2.88 -1.26 -4.96 113.62 110.38 1vdr n SER 25 Ca 0.00 0.55 -0.16 0.00 -1.33 0.00 0.00 58.87 57.94 1vdr n SER 25 Cb 0.00 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.41 1vdr n SER 25 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1vdr n ILE 26 N -0.71 -1.35 0.48 2.46 5.41 -1.26 -4.91 119.36 119.48 1vdr n ILE 26 Ca 0.00 -0.12 0.13 0.00 1.00 0.00 0.00 62.75 63.76 1vdr n ILE 26 Cb 0.00 -1.18 0.44 0.00 -0.71 0.00 0.00 39.64 38.19 1vdr n ILE 26 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 1vdr h PRO 27 N 0.43 0.00 -0.09 0.38 0.13 -1.93 -2.85 132.00 128.07 1vdr h PRO 27 Ca -0.31 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.81 1vdr h PRO 27 Cb 0.64 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.77 1vdr h PRO 27 CO 0.20 0.00 0.03 0.00 -0.23 0.00 0.00 178.00 178.00 1vdr h ALA 28 N 2.35 0.12 -0.28 -0.56 0.00 -1.91 -2.30 119.26 116.68 1vdr h ALA 28 Ca 0.00 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1vdr h ALA 28 Cb 0.59 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1vdr h ALA 28 CO 0.00 -0.27 0.10 0.22 0.00 0.00 0.00 179.25 179.30 1vdr h ASP 29 N -0.03 0.13 0.57 0.00 3.58 -1.82 -2.69 116.42 116.16 1vdr h ASP 29 Ca 0.03 0.03 -0.06 0.00 0.42 0.00 0.00 57.03 57.44 1vdr h ASP 29 Cb 0.20 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 1vdr h ASP 29 CO -0.00 0.11 -0.29 0.50 -2.88 0.00 0.00 179.24 176.67 1vdr h LYS 30 N 0.24 0.00 0.04 0.28 3.64 -1.46 -2.58 116.57 116.72 1vdr h LYS 30 Ca 0.12 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1vdr h LYS 30 Cb 0.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1vdr h LYS 30 CO -0.12 0.29 -0.02 -0.22 -2.27 0.00 0.00 179.45 177.12 1vdr h LYS 31 N 0.00 -0.05 -0.40 1.90 3.64 -1.24 -3.21 116.57 117.22 1vdr h LYS 31 Ca -0.00 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1vdr h LYS 31 Cb 0.66 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.43 1vdr h LYS 31 CO 0.04 0.56 -0.34 0.37 -2.27 0.00 0.00 179.45 177.80 1vdr h GLN 32 N -0.70 -0.13 -0.38 1.90 5.75 -1.30 -1.78 115.11 118.46 1vdr h GLN 32 Ca -0.00 0.01 -0.08 0.00 -0.15 0.00 0.00 58.65 58.42 1vdr h GLN 32 Cb 0.62 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.19 1vdr h GLN 32 CO 0.01 -0.09 -0.10 0.10 -2.65 0.00 0.00 178.83 176.10 1vdr h TYR 33 N -0.14 0.71 0.00 3.99 -0.00 -1.62 -2.13 116.97 117.78 1vdr h TYR 33 Ca 0.07 -0.11 -0.06 0.00 0.00 0.00 0.00 58.73 58.62 1vdr h TYR 33 Cb 0.31 -0.19 -0.01 0.00 0.00 0.00 0.00 36.73 36.84 1vdr h TYR 33 CO -0.81 0.73 -0.29 0.00 -0.00 0.00 0.00 178.16 177.79 1vdr h ARG 34 N 0.60 0.00 0.03 0.10 3.08 -1.52 -2.26 114.38 114.42 1vdr h ARG 34 Ca 0.11 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.02 1vdr h ARG 34 Cb 0.52 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.59 1vdr h ARG 34 CO 0.03 0.29 -0.58 0.77 -1.07 0.00 0.00 179.97 179.42 1vdr h SER 35 N 0.00 0.45 -0.43 7.04 0.02 -1.11 -3.17 113.55 116.36 1vdr h SER 35 Ca -0.00 -0.82 0.09 0.00 -0.84 0.00 0.00 61.79 60.22 1vdr h SER 35 Cb 0.84 -0.14 -0.09 0.00 0.14 0.00 0.00 62.40 63.15 1vdr h SER 35 CO 0.04 1.21 -0.16 -0.09 -1.14 0.00 0.00 176.83 176.70 1vdr h ARG 36 N -0.26 -0.06 -0.02 3.45 9.65 -1.09 -2.68 114.38 123.38 1vdr h ARG 36 Ca -0.08 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.80 1vdr h ARG 36 Cb 1.33 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.93 1vdr h ARG 36 CO 0.11 -0.04 -0.02 0.44 2.80 0.00 0.00 179.97 183.26 1vdr n ILE 37 N -5.36 0.00 0.29 1.20 -5.35 -0.88 -4.62 119.36 104.64 1vdr n ILE 37 Ca 0.03 -0.31 0.18 0.00 -0.27 0.00 0.00 62.75 62.38 1vdr n ILE 37 Cb 0.27 0.79 0.99 0.00 -1.74 0.00 0.00 39.64 39.94 1vdr n ILE 37 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1vdr h ALA 38 N 4.41 1.04 0.00 -1.28 0.00 -1.44 -3.02 119.26 118.97 1vdr h ALA 38 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1vdr h ALA 38 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1vdr h ALA 38 CO 0.00 -0.04 0.00 -0.25 0.00 0.00 0.00 179.25 178.96 1vdr n ASP 39 N -2.80 0.79 -4.49 0.00 8.00 -1.26 -3.93 116.55 112.85 1vdr n ASP 39 Ca -0.02 -1.09 -0.25 0.00 0.71 0.00 0.00 54.79 54.14 1vdr n ASP 39 Cb 0.10 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.10 1vdr n ASP 39 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1vdr s ASP 40 N -0.09 3.64 0.39 -2.24 1.01 -1.14 -4.42 116.67 113.82 1vdr s ASP 40 Ca 0.00 -1.08 -0.27 0.00 0.71 0.00 0.00 52.55 51.91 1vdr s ASP 40 Cb 0.00 -0.32 -0.10 0.00 1.01 0.00 0.00 42.92 43.51 1vdr s ASP 40 CO 0.00 -0.04 1.43 -2.84 0.21 0.00 0.00 175.17 173.94 1vdr s PRO 41 N -3.54 4.05 0.11 8.23 0.02 -1.26 -1.21 135.00 141.40 1vdr s PRO 41 Ca 0.31 2.45 0.06 0.00 0.02 0.00 0.00 61.00 63.84 1vdr s PRO 41 Cb -0.03 -2.90 -0.04 0.00 0.02 0.00 0.00 34.50 31.55 1vdr s PRO 41 CO 0.16 -0.54 -0.01 0.08 -0.33 0.00 0.00 177.00 176.36 1vdr s VAL 42 N -1.15 3.89 -0.10 3.83 1.01 -0.00 -0.90 120.40 126.97 1vdr s VAL 42 Ca 0.54 -1.12 0.01 0.00 0.00 0.00 0.00 61.98 61.41 1vdr s VAL 42 Cb -0.44 -2.88 0.02 0.00 0.00 0.00 0.00 36.38 33.08 1vdr s VAL 42 CO 0.59 0.06 -0.12 -0.69 0.00 0.00 0.00 175.10 174.94 1vdr s VAL 43 N -1.41 1.28 0.09 2.92 1.01 0.60 -0.50 120.40 124.39 1vdr s VAL 43 Ca 0.26 -0.49 -0.14 0.00 0.00 0.00 0.00 61.98 61.61 1vdr s VAL 43 Cb -0.11 -1.20 0.02 0.00 0.00 0.00 0.00 36.38 35.09 1vdr s VAL 43 CO 0.18 0.40 0.33 -1.48 0.00 0.00 0.00 175.10 174.53 1vdr s LEU 44 N 1.19 0.77 0.83 3.92 2.34 -0.67 -2.37 118.68 124.70 1vdr s LEU 44 Ca -0.03 -0.36 -0.11 0.00 0.06 0.00 0.00 54.13 53.69 1vdr s LEU 44 Cb -0.14 1.52 0.09 0.00 -0.56 0.00 0.00 46.19 47.10 1vdr s LEU 44 CO -0.04 -0.76 1.10 -0.83 -1.06 0.00 0.00 176.35 174.77 1vdr s GLY 45 N -2.63 1.67 0.32 -3.48 0.00 -0.03 -0.68 107.32 102.49 1vdr s GLY 45 Ca 0.01 0.30 0.12 0.00 0.00 0.00 0.00 44.72 45.16 1vdr s GLY 45 CO -0.09 0.69 1.69 -0.09 0.00 0.00 0.00 173.10 175.29 1vdr h ARG 46 N -1.38 0.00 0.14 2.90 1.12 -1.84 -2.60 114.38 112.72 1vdr h ARG 46 Ca -0.44 0.00 -0.29 0.00 -1.11 0.00 0.00 59.98 58.14 1vdr h ARG 46 Cb 1.25 0.00 0.02 0.00 -0.01 0.00 0.00 29.97 31.22 1vdr h ARG 46 CO 0.49 0.52 -1.26 1.15 -3.11 0.00 0.00 179.97 177.76 1vdr h THR 47 N 0.00 1.39 -0.73 0.20 2.02 -1.92 -2.61 112.91 111.26 1vdr h THR 47 Ca -0.01 -2.78 -0.02 0.00 0.77 0.00 0.00 66.41 64.38 1vdr h THR 47 Cb 0.95 2.85 -0.03 0.00 -1.74 0.00 0.00 68.15 70.17 1vdr h THR 47 CO 0.07 0.82 0.37 0.74 0.37 0.00 0.00 175.52 177.89 1vdr h THR 48 N 0.15 1.22 0.76 3.16 2.02 -1.92 0.60 112.91 118.91 1vdr h THR 48 Ca -0.17 -0.60 -0.04 0.00 0.77 0.00 0.00 66.41 66.38 1vdr h THR 48 Cb 1.96 0.27 0.01 0.00 -1.74 0.00 0.00 68.15 68.64 1vdr h THR 48 CO 0.22 0.26 -0.36 0.15 0.37 0.00 0.00 175.52 176.16 1vdr h PHE 49 N 1.02 -0.94 0.00 3.16 3.57 -1.38 -1.83 116.94 120.55 1vdr h PHE 49 Ca 0.25 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.73 1vdr h PHE 49 Cb 0.07 0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.12 1vdr h PHE 49 CO 0.01 -0.57 0.00 0.93 -2.23 0.00 0.00 178.31 176.45 1vdr h GLU 50 N -1.08 0.00 -0.15 1.11 5.08 -1.43 -0.00 114.58 118.11 1vdr h GLU 50 Ca -0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1vdr h GLU 50 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1vdr h GLU 50 CO 0.17 0.00 0.00 0.45 -1.00 0.00 0.00 179.01 178.63 1vdr n SER 51 N -2.62 1.02 -0.55 1.42 2.88 0.20 -3.57 113.62 112.40 1vdr n SER 51 Ca -0.00 -1.81 0.01 0.00 -1.33 0.00 0.00 58.87 55.74 1vdr n SER 51 Cb 0.16 -0.10 0.02 0.00 -0.75 0.00 0.00 64.21 63.54 1vdr n SER 51 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1vdr n MET 52 N -0.02 0.12 0.07 -1.46 2.81 -0.03 -4.92 117.12 113.69 1vdr n MET 52 Ca 0.11 -1.24 0.21 0.00 -1.81 0.00 0.00 57.70 54.97 1vdr n MET 52 Cb 0.19 -0.55 0.70 0.00 -0.71 0.00 0.00 33.22 32.85 1vdr n MET 52 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1vdr h ARG 53 N 0.09 0.00 0.00 0.03 3.08 -1.57 -1.55 114.38 114.46 1vdr h ARG 53 Ca -0.02 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.84 1vdr h ARG 53 Cb 1.40 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.43 1vdr h ARG 53 CO 0.01 0.00 -0.96 -0.44 -1.07 0.00 0.00 179.97 177.51 1vdr h ASP 54 N 0.00 0.00 -1.97 7.04 3.32 -1.91 -3.42 116.42 119.47 1vdr h ASP 54 Ca 0.22 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.89 1vdr h ASP 54 Cb 1.34 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.58 1vdr h ASP 54 CO -0.00 0.87 -0.70 -0.62 -1.72 0.00 0.00 179.24 177.07 1vdr s ASP 55 N -6.57 1.22 0.10 6.45 2.15 -0.59 -5.14 116.67 114.30 1vdr s ASP 55 Ca 0.01 -1.67 -0.30 0.00 0.43 0.00 0.00 52.55 51.02 1vdr s ASP 55 Cb 0.09 0.51 -0.06 0.00 -0.30 0.00 0.00 42.92 43.17 1vdr s ASP 55 CO 0.80 -0.25 1.00 -0.76 -0.17 0.00 0.00 175.17 175.79 1vdr s LEU 56 N 1.35 4.47 0.21 -1.34 1.02 -1.22 -4.87 118.68 118.29 1vdr s LEU 56 Ca 0.18 1.83 0.18 0.00 0.02 0.00 0.00 54.13 56.33 1vdr s LEU 56 Cb -0.15 -3.59 0.85 0.00 0.02 0.00 0.00 46.19 43.32 1vdr s LEU 56 CO -0.02 -0.15 1.54 -0.81 0.02 0.00 0.00 176.35 176.93 1vdr n PRO 57 N 3.00 0.12 0.00 1.29 -0.04 -1.26 -4.95 135.00 133.15 1vdr n PRO 57 Ca 0.03 0.51 0.00 0.00 -0.04 0.00 0.00 63.50 64.00 1vdr n PRO 57 Cb 0.49 -1.80 0.00 0.00 -0.04 0.00 0.00 33.50 32.15 1vdr n PRO 57 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1vdr n GLY 58 N -0.80 3.23 0.23 0.55 0.00 -1.26 -4.39 105.19 102.75 1vdr n GLY 58 Ca 0.00 -0.22 -0.08 0.00 0.00 0.00 0.00 46.02 45.73 1vdr n GLY 58 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1vdr h SER 59 N 0.00 0.67 -5.03 1.61 0.02 -1.28 -3.45 113.55 106.09 1vdr h SER 59 Ca 0.00 -0.30 -0.02 0.00 -0.84 0.00 0.00 61.79 60.63 1vdr h SER 59 Cb 0.00 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 1vdr h SER 59 CO 0.00 0.99 0.24 0.00 -1.14 0.00 0.00 176.83 176.92 1vdr s ALA 60 N -4.27 -0.72 -0.07 3.77 0.00 -1.26 -4.93 121.76 114.27 1vdr s ALA 60 Ca -0.08 -0.73 -0.03 0.00 0.00 0.00 0.00 51.96 51.12 1vdr s ALA 60 Cb 0.12 0.73 0.04 0.00 0.00 0.00 0.00 23.12 24.01 1vdr s ALA 60 CO 0.83 -0.98 0.07 -0.65 0.00 0.00 0.00 175.76 175.03 1vdr s GLN 61 N -2.60 -0.05 -0.42 0.00 1.11 -0.42 -0.82 119.66 116.46 1vdr s GLN 61 Ca 0.16 0.27 -0.14 0.00 0.01 0.00 0.00 55.36 55.65 1vdr s GLN 61 Cb -0.05 -0.82 0.03 0.00 -1.01 0.00 0.00 33.01 31.16 1vdr s GLN 61 CO 0.11 -0.41 0.31 0.42 0.01 0.00 0.00 175.29 175.73 1vdr s ILE 62 N 2.16 5.13 -0.26 1.08 1.09 0.34 -0.50 121.20 130.24 1vdr s ILE 62 Ca 0.04 -0.80 -0.09 0.00 -1.10 0.00 0.00 60.65 58.70 1vdr s ILE 62 Cb -0.13 -3.91 -0.04 0.00 -1.06 0.00 0.00 42.46 37.32 1vdr s ILE 62 CO -0.04 -0.37 0.13 -0.69 -0.10 0.00 0.00 174.94 173.87 1vdr s VAL 63 N 1.65 4.86 -0.48 2.92 1.01 0.16 -1.67 120.40 128.86 1vdr s VAL 63 Ca 0.04 0.02 -0.27 0.00 0.00 0.00 0.00 61.98 61.77 1vdr s VAL 63 Cb -0.20 -3.29 0.03 0.00 0.00 0.00 0.00 36.38 32.91 1vdr s VAL 63 CO 0.09 0.30 1.00 -0.04 0.00 0.00 0.00 175.10 176.45 1vdr s MET 64 N 1.58 3.58 -0.02 2.72 -1.94 0.14 -1.51 119.30 123.85 1vdr s MET 64 Ca 0.07 0.27 0.04 0.00 -1.71 0.00 0.00 55.69 54.35 1vdr s MET 64 Cb -0.15 -3.93 -0.00 0.00 2.01 0.00 0.00 34.83 32.75 1vdr s MET 64 CO 0.07 -1.31 -0.13 0.45 -0.01 0.00 0.00 175.02 174.09 1vdr s SER 65 N 2.38 1.61 0.00 3.03 0.15 -1.11 -2.43 113.70 117.34 1vdr s SER 65 Ca 0.40 -0.25 0.25 0.00 0.70 0.00 0.00 55.95 57.05 1vdr s SER 65 Cb -0.09 -0.33 1.11 0.00 -1.71 0.00 0.00 66.02 65.00 1vdr s SER 65 CO 0.28 0.13 1.82 0.54 1.20 0.00 0.00 173.24 177.21 1vdr n ARG 66 N 3.03 0.07 -4.85 5.44 1.74 -1.26 -4.43 116.66 116.39 1vdr n ARG 66 Ca -0.16 0.06 -0.29 0.00 -0.77 0.00 0.00 57.85 56.69 1vdr n ARG 66 Cb 0.54 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 30.34 1vdr n ARG 66 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1vdr s SER 67 N -2.92 2.99 0.14 0.55 0.15 -1.26 -5.11 113.70 108.25 1vdr s SER 67 Ca 0.14 -0.57 -0.32 0.00 0.70 0.00 0.00 55.95 55.90 1vdr s SER 67 Cb 0.17 -0.27 -0.11 0.00 -1.71 0.00 0.00 66.02 64.09 1vdr s SER 67 CO 0.45 0.24 1.79 1.21 1.20 0.00 0.00 173.24 178.12 1vdr n GLU 68 N 1.81 2.72 -3.74 5.44 4.07 -1.26 -5.00 120.64 124.68 1vdr n GLU 68 Ca -0.17 0.99 -0.16 0.00 -0.06 0.00 0.00 57.16 57.76 1vdr n GLU 68 Cb 0.52 -2.86 -0.16 0.00 -0.06 0.00 0.00 31.44 28.88 1vdr n GLU 68 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 1vdr s ARG 69 N 2.17 -0.03 0.05 5.31 0.52 -1.26 -5.12 118.95 120.58 1vdr s ARG 69 Ca 0.80 0.27 -0.13 0.00 -0.52 0.00 0.00 55.73 56.15 1vdr s ARG 69 Cb -0.51 -0.30 -0.06 0.00 0.52 0.00 0.00 34.95 34.59 1vdr s ARG 69 CO 0.36 -0.21 0.44 -1.54 0.02 0.00 0.00 175.30 174.37 1vdr s SER 70 N 1.40 6.78 0.33 0.23 1.04 -1.26 -4.66 113.70 117.56 1vdr s SER 70 Ca -0.05 0.95 0.09 0.00 0.48 0.00 0.00 55.95 57.42 1vdr s SER 70 Cb -0.13 -2.24 -0.06 0.00 0.10 0.00 0.00 66.02 63.70 1vdr s SER 70 CO -0.03 0.24 -0.02 -0.36 0.98 0.00 0.00 173.24 174.04 1vdr s PHE 71 N -1.25 2.51 -0.08 5.02 0.08 -1.26 -5.06 117.98 117.95 1vdr s PHE 71 Ca 0.29 -0.44 -0.23 0.00 0.12 0.00 0.00 56.93 56.68 1vdr s PHE 71 Cb -0.16 -1.43 -0.18 0.00 -0.57 0.00 0.00 43.02 40.68 1vdr s PHE 71 CO 0.16 0.52 0.84 1.03 -0.10 0.00 0.00 175.22 177.67 1vdr h SER 72 N 1.88 -0.08 -3.70 1.36 0.87 -1.98 -3.46 113.55 108.45 1vdr h SER 72 Ca -0.43 -0.55 -0.52 0.00 -1.23 0.00 0.00 61.79 59.06 1vdr h SER 72 Cb 1.25 0.02 0.05 0.00 -0.44 0.00 0.00 62.40 63.28 1vdr h SER 72 CO 0.67 0.60 0.64 -0.69 -0.53 0.00 0.00 176.83 177.52 1vdr s VAL 73 N -3.04 2.89 -0.34 2.23 1.01 -1.26 -4.93 120.40 116.97 1vdr s VAL 73 Ca -0.14 0.83 0.26 0.00 0.00 0.00 0.00 61.98 62.94 1vdr s VAL 73 Cb -0.00 -3.53 0.29 0.00 0.00 0.00 0.00 36.38 33.13 1vdr s VAL 73 CO 0.54 0.17 1.79 -0.78 0.00 0.00 0.00 175.10 176.82 1vdr h ASP 74 N 4.09 0.00 -0.41 3.32 3.58 -2.03 -2.84 116.42 122.13 1vdr h ASP 74 Ca -0.47 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.98 1vdr h ASP 74 Cb 1.22 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.27 1vdr h ASP 74 CO 0.70 0.00 0.00 0.35 -2.88 0.00 0.00 179.24 177.41 1vdr n THR 75 N -2.47 0.61 -4.11 2.25 -2.24 -1.26 -4.94 114.28 102.11 1vdr n THR 75 Ca 0.02 -0.80 -0.36 0.00 -2.27 0.00 0.00 64.05 60.64 1vdr n THR 75 Cb 0.26 0.87 -0.08 0.00 -2.10 0.00 0.00 70.33 69.28 1vdr n THR 75 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vdr s ALA 76 N -1.29 3.60 0.11 6.98 0.00 -1.07 -1.30 121.76 128.79 1vdr s ALA 76 Ca 0.36 -0.73 0.05 0.00 0.00 0.00 0.00 51.96 51.64 1vdr s ALA 76 Cb 0.21 -1.73 -0.04 0.00 0.00 0.00 0.00 23.12 21.56 1vdr s ALA 76 CO 0.28 0.61 -0.12 -1.01 0.00 0.00 0.00 175.76 175.52 1vdr s HIS 77 N -0.98 1.25 -0.12 0.00 0.09 0.34 -4.85 115.29 111.02 1vdr s HIS 77 Ca 0.15 -0.60 0.01 0.00 -0.00 0.00 0.00 55.06 54.61 1vdr s HIS 77 Cb -0.12 -0.66 -0.01 0.00 -0.00 0.00 0.00 32.58 31.79 1vdr s HIS 77 CO 0.04 0.08 -0.15 0.50 -0.00 0.00 0.00 174.74 175.21 1vdr s ARG 78 N -2.75 3.31 0.01 1.40 3.00 -1.26 -0.66 118.95 121.99 1vdr s ARG 78 Ca 0.08 -0.72 0.06 0.00 -1.00 0.00 0.00 55.73 54.14 1vdr s ARG 78 Cb -0.04 -2.56 -0.02 0.00 0.00 0.00 0.00 34.95 32.33 1vdr s ARG 78 CO 0.02 0.21 -0.18 0.00 0.00 0.00 0.00 175.30 175.35 1vdr s ALA 79 N 0.33 1.54 -0.34 6.12 0.00 -0.57 -4.90 121.76 123.94 1vdr s ALA 79 Ca -0.12 -0.88 0.19 0.00 0.00 0.00 0.00 51.96 51.15 1vdr s ALA 79 Cb -0.16 -0.34 -0.26 0.00 0.00 0.00 0.00 23.12 22.35 1vdr s ALA 79 CO 0.06 0.36 0.56 0.00 0.00 0.00 0.00 175.76 176.74 1vdr n ALA 80 N 2.26 3.36 -2.30 0.00 0.00 -1.26 -2.76 120.51 119.81 1vdr n ALA 80 Ca -0.16 -0.49 -0.16 0.00 0.00 0.00 0.00 53.44 52.63 1vdr n ALA 80 Cb 0.54 -0.67 -0.10 0.00 0.00 0.00 0.00 19.45 19.22 1vdr n ALA 80 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1vdr s SER 81 N -3.69 1.07 0.20 0.00 1.04 -1.26 -4.90 113.70 106.16 1vdr s SER 81 Ca -0.02 -1.42 -0.09 0.00 0.48 0.00 0.00 55.95 54.90 1vdr s SER 81 Cb 0.13 0.25 0.12 0.00 0.10 0.00 0.00 66.02 66.62 1vdr s SER 81 CO 0.79 -0.78 1.73 0.58 0.98 0.00 0.00 173.24 176.54 1vdr h VAL 82 N 2.39 1.26 -0.21 5.02 2.07 -1.96 -2.80 116.25 122.02 1vdr h VAL 82 Ca -0.37 -0.89 -0.03 0.00 0.82 0.00 0.00 66.70 66.23 1vdr h VAL 82 Cb 1.25 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1vdr h VAL 82 CO 0.58 0.35 0.02 -0.33 0.02 0.00 0.00 177.57 178.20 1vdr h GLU 83 N 1.04 0.36 -0.60 1.57 3.07 -1.99 -2.35 114.58 115.68 1vdr h GLU 83 Ca 0.23 -0.10 -0.01 0.00 -0.50 0.00 0.00 59.36 58.97 1vdr h GLU 83 Cb 0.31 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.15 1vdr h GLU 83 CO -0.01 0.53 0.34 1.49 -1.40 0.00 0.00 179.01 179.96 1vdr h GLU 84 N 0.13 0.82 -0.15 2.33 4.81 -1.97 -1.52 114.58 119.04 1vdr h GLU 84 Ca 0.06 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1vdr h GLU 84 Cb 0.36 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1vdr h GLU 84 CO 0.01 0.59 0.03 0.00 -0.73 0.00 0.00 179.01 178.91 1vdr h ALA 85 N 1.55 0.19 -0.58 2.92 0.00 -1.29 -2.06 119.26 119.99 1vdr h ALA 85 Ca 0.21 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1vdr h ALA 85 Cb 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1vdr h ALA 85 CO -0.04 -0.16 0.35 0.28 0.00 0.00 0.00 179.25 179.68 1vdr h VAL 86 N 0.04 1.06 -0.32 0.00 2.07 -1.20 -1.27 116.25 116.63 1vdr h VAL 86 Ca 0.05 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1vdr h VAL 86 Cb 0.27 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 1vdr h VAL 86 CO 0.00 0.13 0.16 0.44 0.02 0.00 0.00 177.57 178.32 1vdr h ASP 87 N 0.69 0.38 -0.14 0.57 3.32 -1.10 -0.92 116.42 119.21 1vdr h ASP 87 Ca 0.24 -0.02 -0.15 0.00 0.02 0.00 0.00 57.03 57.11 1vdr h ASP 87 Cb 0.03 -0.10 0.01 0.00 0.22 0.00 0.00 39.33 39.49 1vdr h ASP 87 CO -0.10 0.32 -0.52 0.40 -1.72 0.00 0.00 179.24 177.62 1vdr h ILE 88 N 0.44 1.34 -0.34 0.35 2.04 -0.65 -1.78 117.51 118.91 1vdr h ILE 88 Ca 0.11 -1.79 -0.08 0.00 1.00 0.00 0.00 64.86 64.11 1vdr h ILE 88 Cb 0.03 2.06 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 1vdr h ILE 88 CO -0.02 0.55 -0.12 0.00 0.00 0.00 0.00 178.15 178.57 1vdr h ALA 89 N 0.52 1.17 -0.23 1.87 0.00 -0.95 -1.96 119.26 119.68 1vdr h ALA 89 Ca -0.02 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 1vdr h ALA 89 Cb 1.14 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1vdr h ALA 89 CO 0.11 0.53 -0.20 0.00 0.00 0.00 0.00 179.25 179.69 1vdr h ALA 90 N 1.34 1.22 0.00 0.00 0.00 -1.11 -1.84 119.26 118.87 1vdr h ALA 90 Ca 0.10 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1vdr h ALA 90 Cb 0.52 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1vdr h ALA 90 CO 0.03 0.51 -0.06 0.66 0.00 0.00 0.00 179.25 180.39 1vdr h SER 91 N 0.38 0.00 -0.01 0.00 4.64 -0.78 -2.83 113.55 114.96 1vdr h SER 91 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1vdr h SER 91 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1vdr h SER 91 CO 0.04 0.06 0.00 0.18 -0.87 0.00 0.00 176.83 176.24 1vdr n LEU 92 N -3.14 0.33 -2.10 5.97 4.32 -0.75 -4.90 117.00 116.72 1vdr n LEU 92 Ca 0.02 -0.12 -0.20 0.00 -0.02 0.00 0.00 56.01 55.69 1vdr n LEU 92 Cb 0.43 -0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.19 1vdr n LEU 92 CO 0.31 0.06 -0.24 0.47 -1.22 0.00 0.00 177.39 176.77 1vdr n ASP 93 N -0.71 -5.71 -4.78 -1.43 8.00 -1.07 -4.95 116.55 105.91 1vdr n ASP 93 Ca 0.21 0.13 -0.41 0.00 0.71 0.00 0.00 54.79 55.44 1vdr n ASP 93 Cb 0.15 -4.80 -0.01 0.00 -0.02 0.00 0.00 41.12 36.44 1vdr n ASP 93 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1vdr s ALA 94 N -2.94 3.55 -0.11 2.24 0.00 -0.84 -4.91 121.76 118.74 1vdr s ALA 94 Ca 0.00 1.48 0.05 0.00 0.00 0.00 0.00 51.96 53.48 1vdr s ALA 94 Cb 0.00 -3.57 -0.24 0.00 0.00 0.00 0.00 23.12 19.31 1vdr s ALA 94 CO 0.00 -0.93 0.40 0.39 0.00 0.00 0.00 175.76 175.62 1vdr n GLU 95 N 0.56 0.69 -3.75 0.00 -0.58 -1.26 -4.83 120.64 111.46 1vdr n GLU 95 Ca 0.01 0.24 -0.12 0.00 -0.42 0.00 0.00 57.16 56.86 1vdr n GLU 95 Cb 0.40 -1.71 -0.08 0.00 -0.57 0.00 0.00 31.44 29.48 1vdr n GLU 95 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 1vdr s THR 96 N -2.56 0.07 -0.04 2.62 -1.32 -1.26 -1.63 115.64 111.52 1vdr s THR 96 Ca -0.15 -0.58 0.02 0.00 -1.21 0.00 0.00 61.69 59.77 1vdr s THR 96 Cb 0.07 -0.79 0.01 0.00 -1.51 0.00 0.00 72.50 70.29 1vdr s THR 96 CO 0.78 -0.32 -0.07 0.00 -2.21 0.00 0.00 174.62 172.80 1vdr s ALA 97 N -1.96 0.80 -0.07 11.08 0.00 -0.71 -4.02 121.76 126.89 1vdr s ALA 97 Ca -0.09 -0.21 -0.03 0.00 0.00 0.00 0.00 51.96 51.63 1vdr s ALA 97 Cb -0.03 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 1vdr s ALA 97 CO 0.00 0.07 0.08 0.71 0.00 0.00 0.00 175.76 176.62 1vdr s TYR 98 N 0.55 3.37 -0.56 0.00 1.51 -0.08 -2.27 117.35 119.87 1vdr s TYR 98 Ca -0.08 0.32 -0.15 0.00 -1.01 0.00 0.00 57.07 56.15 1vdr s TYR 98 Cb -0.12 -1.83 0.14 0.00 -0.11 0.00 0.00 41.96 40.04 1vdr s TYR 98 CO 0.01 0.59 0.50 0.08 -1.11 0.00 0.00 175.55 175.62 1vdr s VAL 99 N -1.03 5.09 -2.76 0.71 1.01 -0.19 -0.29 120.40 122.93 1vdr s VAL 99 Ca 0.17 -1.64 0.24 0.00 0.00 0.00 0.00 61.98 60.74 1vdr s VAL 99 Cb -0.12 -4.26 0.30 0.00 0.00 0.00 0.00 36.38 32.30 1vdr s VAL 99 CO 0.07 -0.87 1.33 2.30 0.00 0.00 0.00 175.10 177.93 1vdr n ILE 100 N 5.07 0.22 0.00 2.22 -5.35 -1.00 -2.64 119.36 117.89 1vdr n ILE 100 Ca -0.10 -0.60 0.00 0.00 -0.27 0.00 0.00 62.75 61.77 1vdr n ILE 100 Cb 0.41 1.25 0.00 0.00 -1.74 0.00 0.00 39.64 39.56 1vdr n ILE 100 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1vdr n GLY 101 N 1.42 3.97 0.00 3.28 0.00 -1.26 -4.92 105.19 107.68 1vdr n GLY 101 Ca 0.17 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.66 1vdr n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vdr n GLY 102 N -1.93 1.78 0.38 -0.02 0.00 -1.26 -0.85 105.19 103.30 1vdr n GLY 102 Ca 0.00 -1.94 0.16 0.00 0.00 0.00 0.00 46.02 44.24 1vdr n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vdr h ALA 103 N -1.07 1.91 -0.18 4.61 0.00 -1.97 -0.67 119.26 121.89 1vdr h ALA 103 Ca 0.00 0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 1vdr h ALA 103 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1vdr h ALA 103 CO 0.00 -0.26 -0.52 0.00 0.00 0.00 0.00 179.25 178.47 1vdr h ALA 104 N 1.63 0.77 -0.42 0.00 0.00 -1.96 -2.60 119.26 116.68 1vdr h ALA 104 Ca 0.55 -0.49 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1vdr h ALA 104 Cb 1.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1vdr h ALA 104 CO -0.30 0.68 -0.19 0.82 0.00 0.00 0.00 179.25 180.25 1vdr h ILE 105 N 0.39 1.28 0.40 0.00 1.08 -1.47 -2.36 117.51 116.82 1vdr h ILE 105 Ca 0.01 -1.33 -0.02 0.00 -0.39 0.00 0.00 64.86 63.13 1vdr h ILE 105 Cb 1.04 1.23 0.00 0.00 -3.07 0.00 0.00 36.82 36.03 1vdr h ILE 105 CO 0.09 0.45 -0.19 1.88 -0.69 0.00 0.00 178.15 179.69 1vdr h TYR 106 N 0.70 -0.50 -0.99 1.37 0.05 -1.32 -1.47 116.97 114.82 1vdr h TYR 106 Ca 0.10 -0.01 0.27 0.00 0.05 0.00 0.00 58.73 59.13 1vdr h TYR 106 Cb 0.75 0.16 -0.18 0.00 1.01 0.00 0.00 36.73 38.47 1vdr h TYR 106 CO 0.06 -0.31 0.00 0.00 -1.05 0.00 0.00 178.16 176.86 1vdr n ALA 107 N -2.27 0.49 0.11 3.88 0.00 -0.99 -1.02 120.51 120.70 1vdr n ALA 107 Ca -0.07 1.06 -0.13 0.00 0.00 0.00 0.00 53.44 54.30 1vdr n ALA 107 Cb 0.21 -0.76 -0.07 0.00 0.00 0.00 0.00 19.45 18.83 1vdr n ALA 107 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1vdr h LEU 108 N 0.00 -0.30 0.00 0.00 5.85 -1.32 -3.20 115.31 116.34 1vdr h LEU 108 Ca 0.59 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.34 1vdr h LEU 108 Cb 1.20 0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.33 1vdr h LEU 108 CO -0.93 -0.18 -0.18 -0.26 -0.34 0.00 0.00 178.44 176.55 1vdr h PHE 109 N -0.26 0.00 -0.94 1.25 -1.00 -0.08 -3.39 116.94 112.53 1vdr h PHE 109 Ca 0.00 0.00 0.10 0.00 2.81 0.00 0.00 57.97 60.89 1vdr h PHE 109 Cb 0.24 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 39.73 1vdr h PHE 109 CO -0.11 0.00 0.60 0.37 -1.61 0.00 0.00 178.31 177.56 1vdr h GLN 110 N 0.00 0.91 0.00 1.51 5.75 -1.07 -1.27 115.11 120.93 1vdr h GLN 110 Ca 0.00 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.44 1vdr h GLN 110 Cb 0.91 -0.20 -0.00 0.00 1.07 0.00 0.00 27.48 29.26 1vdr h GLN 110 CO 0.00 0.60 -0.02 -1.00 -2.65 0.00 0.00 178.83 175.76 1vdr h PRO 111 N 0.93 0.00 -0.03 -2.39 0.13 -1.77 -2.45 132.00 126.43 1vdr h PRO 111 Ca 0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.57 1vdr h PRO 111 Cb 0.43 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.56 1vdr h PRO 111 CO -0.20 0.02 -0.12 0.72 -0.23 0.00 0.00 178.00 178.19 1vdr n HIS 112 N -3.37 0.00 -2.51 1.56 8.25 -0.52 -4.99 115.22 113.64 1vdr n HIS 112 Ca -0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.02 1vdr n HIS 112 Cb 0.13 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.21 1vdr n HIS 112 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1vdr s LEU 113 N -2.12 4.36 -0.01 2.41 1.43 -0.92 -4.74 118.68 119.08 1vdr s LEU 113 Ca 0.26 1.90 -0.17 0.00 -1.03 0.00 0.00 54.13 55.08 1vdr s LEU 113 Cb 0.20 -3.57 -0.33 0.00 0.03 0.00 0.00 46.19 42.51 1vdr s LEU 113 CO 0.37 -0.42 0.90 0.44 0.23 0.00 0.00 176.35 177.87 1vdr h ASP 114 N 6.85 0.68 -5.10 2.29 3.32 -1.49 -3.46 116.42 119.52 1vdr h ASP 114 Ca -0.41 -0.93 -0.13 0.00 0.02 0.00 0.00 57.03 55.58 1vdr h ASP 114 Cb 1.21 -0.22 -0.18 0.00 0.22 0.00 0.00 39.33 40.36 1vdr h ASP 114 CO 0.80 1.63 -0.58 -0.60 -1.72 0.00 0.00 179.24 178.76 1vdr s ARG 115 N -2.54 0.55 -0.13 3.56 3.52 -1.19 -2.31 118.95 120.41 1vdr s ARG 115 Ca -0.12 -0.83 -0.03 0.00 -0.13 0.00 0.00 55.73 54.62 1vdr s ARG 115 Cb 0.03 0.21 0.05 0.00 -1.56 0.00 0.00 34.95 33.68 1vdr s ARG 115 CO 0.89 -0.12 0.05 -1.64 -0.81 0.00 0.00 175.30 173.66 1vdr s MET 116 N -2.70 0.36 -0.81 5.12 -1.94 -0.14 -2.35 119.30 116.85 1vdr s MET 116 Ca -0.04 -0.07 -0.16 0.00 -1.71 0.00 0.00 55.69 53.71 1vdr s MET 116 Cb -0.01 -1.50 0.18 0.00 2.01 0.00 0.00 34.83 35.51 1vdr s MET 116 CO -0.05 -0.52 0.83 0.08 -0.01 0.00 0.00 175.02 175.36 1vdr s VAL 117 N 2.02 5.27 -0.10 -6.03 1.01 0.09 -1.28 120.40 121.38 1vdr s VAL 117 Ca 0.02 -2.01 -0.10 0.00 0.00 0.00 0.00 61.98 59.89 1vdr s VAL 117 Cb -0.15 -4.54 -0.05 0.00 0.00 0.00 0.00 36.38 31.64 1vdr s VAL 117 CO -0.07 -1.15 0.23 -0.76 0.00 0.00 0.00 175.10 173.35 1vdr s LEU 118 N 1.20 4.37 -0.47 3.92 1.43 -0.42 -1.60 118.68 127.12 1vdr s LEU 118 Ca 0.20 0.58 -0.09 0.00 -1.03 0.00 0.00 54.13 53.79 1vdr s LEU 118 Cb -0.12 -2.25 0.12 0.00 0.03 0.00 0.00 46.19 43.97 1vdr s LEU 118 CO -0.07 0.32 0.34 -0.44 0.23 0.00 0.00 176.35 176.73 1vdr s SER 119 N -0.66 5.67 -0.46 2.29 0.01 -0.48 -0.56 113.70 119.51 1vdr s SER 119 Ca 0.17 -1.93 -0.28 0.00 1.31 0.00 0.00 55.95 55.22 1vdr s SER 119 Cb -0.13 -2.00 0.01 0.00 0.21 0.00 0.00 66.02 64.11 1vdr s SER 119 CO 0.06 -0.68 1.44 -0.13 0.41 0.00 0.00 173.24 174.33 1vdr s ARG 120 N 1.34 3.45 -0.17 12.44 1.81 -1.01 -2.36 118.95 134.45 1vdr s ARG 120 Ca 0.06 0.78 -0.22 0.00 -1.72 0.00 0.00 55.73 54.63 1vdr s ARG 120 Cb -0.26 -4.07 -0.03 0.00 -0.45 0.00 0.00 34.95 30.14 1vdr s ARG 120 CO -0.01 -1.73 0.66 0.08 -0.68 0.00 0.00 175.30 173.62 1vdr s VAL 121 N 5.79 5.01 -0.15 3.52 1.01 -0.37 -1.98 120.40 133.24 1vdr s VAL 121 Ca 0.59 1.28 0.00 0.00 0.00 0.00 0.00 61.98 63.85 1vdr s VAL 121 Cb -0.13 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.27 1vdr s VAL 121 CO 0.30 0.12 0.92 -0.81 0.00 0.00 0.00 175.10 175.63 1vdr n PRO 122 N 4.86 0.99 -3.94 2.72 -0.04 -1.26 -2.82 135.00 135.51 1vdr n PRO 122 Ca -0.01 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.11 1vdr n PRO 122 Cb 0.50 -1.08 -0.14 0.00 -0.04 0.00 0.00 33.50 32.74 1vdr n PRO 122 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1vdr s GLU 126 N -0.14 2.69 0.37 0.54 8.01 -1.26 -4.91 118.70 124.00 1vdr s GLU 126 Ca 0.00 -1.08 -0.10 0.00 0.01 0.00 0.00 54.97 53.80 1vdr s GLU 126 Cb 0.00 -3.06 0.04 0.00 -4.31 0.00 0.00 34.13 26.80 1vdr s GLU 126 CO 0.00 -0.48 0.67 0.41 0.01 0.00 0.00 175.26 175.87 1vdr n GLY 127 N 4.65 1.38 0.04 -1.39 0.00 -1.26 -4.84 105.19 103.77 1vdr n GLY 127 Ca -0.15 -1.36 -0.03 0.00 0.00 0.00 0.00 46.02 44.47 1vdr n GLY 127 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1vdr n ASP 128 N -1.55 2.67 -4.89 1.61 5.68 -0.84 -4.97 116.55 114.26 1vdr n ASP 128 Ca -0.06 0.00 -0.33 0.00 -0.50 0.00 0.00 54.79 53.90 1vdr n ASP 128 Cb 0.57 0.84 -0.05 0.00 -1.14 0.00 0.00 41.12 41.34 1vdr n ASP 128 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1vdr s THR 129 N -2.30 5.33 0.03 2.12 -4.23 -0.59 -5.02 115.64 110.98 1vdr s THR 129 Ca -0.05 0.01 0.02 0.00 -1.18 0.00 0.00 61.69 60.49 1vdr s THR 129 Cb 0.03 -3.57 -0.02 0.00 1.34 0.00 0.00 72.50 70.28 1vdr s THR 129 CO 0.39 0.29 -0.07 -0.31 -0.54 0.00 0.00 174.62 174.38 1vdr s TYR 130 N -1.37 0.62 0.14 3.99 1.51 -1.26 -2.11 117.35 118.87 1vdr s TYR 130 Ca 0.30 -0.44 -0.28 0.00 -1.01 0.00 0.00 57.07 55.63 1vdr s TYR 130 Cb -0.13 -0.38 -0.07 0.00 -0.11 0.00 0.00 41.96 41.28 1vdr s TYR 130 CO 0.19 -0.08 0.89 -0.47 -1.11 0.00 0.00 175.55 174.97 1vdr s TYR 131 N -1.21 3.85 0.38 2.71 5.04 -0.63 -4.79 117.35 122.71 1vdr s TYR 131 Ca -0.09 1.74 -0.28 0.00 -2.44 0.00 0.00 57.07 56.00 1vdr s TYR 131 Cb -0.09 -2.94 -0.11 0.00 0.35 0.00 0.00 41.96 39.17 1vdr s TYR 131 CO 0.00 0.33 1.49 -1.25 -1.34 0.00 0.00 175.55 174.78 1vdr s PRO 132 N -0.46 4.09 0.24 4.97 0.04 -1.26 -4.91 135.00 137.71 1vdr s PRO 132 Ca 0.42 2.57 -0.30 0.00 0.04 0.00 0.00 61.00 63.74 1vdr s PRO 132 Cb -0.23 -2.96 -0.09 0.00 0.04 0.00 0.00 34.50 31.26 1vdr s PRO 132 CO 0.28 -0.55 1.29 -1.83 0.04 0.00 0.00 177.00 176.23 1vdr s GLU 133 N -2.11 4.41 0.29 4.56 -1.05 -1.26 -5.05 118.70 118.48 1vdr s GLU 133 Ca 0.53 2.07 0.11 0.00 -0.15 0.00 0.00 54.97 57.53 1vdr s GLU 133 Cb -0.47 -3.16 -0.05 0.00 -0.44 0.00 0.00 34.13 30.02 1vdr s GLU 133 CO 0.63 -0.18 -0.12 1.67 0.95 0.00 0.00 175.26 178.21 1vdr s TRP 134 N -0.37 2.43 -0.27 4.83 -2.14 -1.26 -5.11 118.94 117.05 1vdr s TRP 134 Ca 0.53 -0.33 -0.23 0.00 2.66 0.00 0.00 56.10 58.73 1vdr s TRP 134 Cb -0.37 -1.13 -0.01 0.00 -3.10 0.00 0.00 33.47 28.87 1vdr s TRP 134 CO 0.43 0.66 0.76 0.34 -2.66 0.00 0.00 176.95 176.48 1vdr s ASP 135 N -3.58 6.71 0.52 -2.66 -1.08 -1.26 -4.93 116.67 110.39 1vdr s ASP 135 Ca 0.31 0.83 0.29 0.00 -0.52 0.00 0.00 52.55 53.46 1vdr s ASP 135 Cb -0.04 -2.40 1.41 0.00 -1.46 0.00 0.00 42.92 40.42 1vdr s ASP 135 CO 0.17 -0.51 2.03 0.00 0.52 0.00 0.00 175.17 177.38 1vdr h ALA 136 N 7.88 1.15 0.00 3.66 0.00 -2.00 -2.39 119.26 127.56 1vdr h ALA 136 Ca -0.24 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1vdr h ALA 136 Cb 1.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1vdr h ALA 136 CO 0.85 0.14 -0.78 0.00 0.00 0.00 0.00 179.25 179.47 1vdr h ALA 137 N 1.88 0.50 -0.55 0.00 0.00 -2.03 -3.34 119.26 115.72 1vdr h ALA 137 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1vdr h ALA 137 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1vdr h ALA 137 CO 0.01 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.65 1vdr n GLU 138 N -2.18 2.79 -4.23 0.00 1.02 -0.91 -4.90 120.64 112.23 1vdr n GLU 138 Ca 0.02 -2.38 -0.17 0.00 -0.02 0.00 0.00 57.16 54.62 1vdr n GLU 138 Cb 0.46 -1.43 -0.15 0.00 -0.02 0.00 0.00 31.44 30.30 1vdr n GLU 138 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1vdr s TRP 139 N -1.00 0.61 -0.20 -0.32 0.52 -1.15 -2.57 118.94 114.82 1vdr s TRP 139 Ca 0.37 -0.12 -0.10 0.00 0.02 0.00 0.00 56.10 56.27 1vdr s TRP 139 Cb 0.19 -0.41 -0.05 0.00 -1.15 0.00 0.00 33.47 32.05 1vdr s TRP 139 CO 0.25 -0.03 0.13 -2.00 0.02 0.00 0.00 176.95 175.32 1vdr s GLU 140 N -0.05 4.18 -0.47 4.98 2.12 -0.01 -4.83 118.70 124.62 1vdr s GLU 140 Ca 0.01 -0.23 -0.28 0.00 0.36 0.00 0.00 54.97 54.83 1vdr s GLU 140 Cb -0.04 -3.42 0.01 0.00 0.26 0.00 0.00 34.13 30.94 1vdr s GLU 140 CO -0.00 0.29 1.43 -1.17 -0.54 0.00 0.00 175.26 175.27 1vdr s LEU 141 N 0.40 3.51 0.07 2.70 2.96 -1.26 -1.55 118.68 125.51 1vdr s LEU 141 Ca 0.08 0.64 -0.14 0.00 -0.22 0.00 0.00 54.13 54.49 1vdr s LEU 141 Cb -0.11 -3.35 -0.24 0.00 0.50 0.00 0.00 46.19 42.99 1vdr s LEU 141 CO -0.02 -1.56 1.18 -0.78 -1.32 0.00 0.00 176.35 173.86 1vdr h ASP 142 N 11.00 0.91 -4.58 3.68 3.58 -1.39 -3.47 116.42 126.14 1vdr h ASP 142 Ca -0.27 -0.74 -0.10 0.00 0.42 0.00 0.00 57.03 56.34 1vdr h ASP 142 Cb 1.10 -0.28 -0.21 0.00 1.72 0.00 0.00 39.33 41.66 1vdr h ASP 142 CO 1.12 1.54 -0.11 0.00 -2.88 0.00 0.00 179.24 178.92 1vdr s ALA 143 N -3.28 -1.20 -0.41 -0.78 0.00 -1.02 -4.97 121.76 110.10 1vdr s ALA 143 Ca -0.10 0.98 0.04 0.00 0.00 0.00 0.00 51.96 52.89 1vdr s ALA 143 Cb 0.07 -0.28 0.17 0.00 0.00 0.00 0.00 23.12 23.07 1vdr s ALA 143 CO 0.92 -0.28 0.42 -2.00 0.00 0.00 0.00 175.76 174.82 1vdr s GLU 144 N -0.68 0.82 -0.12 0.00 2.12 -1.26 -2.15 118.70 117.43 1vdr s GLU 144 Ca -0.08 -1.43 -0.21 0.00 0.36 0.00 0.00 54.97 53.61 1vdr s GLU 144 Cb -0.03 -0.91 -0.03 0.00 0.26 0.00 0.00 34.13 33.41 1vdr s GLU 144 CO 0.04 -1.30 0.61 0.99 -0.54 0.00 0.00 175.26 175.07 1vdr s THR 145 N 0.75 5.08 0.21 -1.70 2.01 -0.87 -4.98 115.64 116.15 1vdr s THR 145 Ca 0.26 1.22 -0.30 0.00 0.31 0.00 0.00 61.69 63.18 1vdr s THR 145 Cb -0.06 -3.95 -0.08 0.00 0.01 0.00 0.00 72.50 68.43 1vdr s THR 145 CO -0.09 0.24 1.13 -0.62 -0.69 0.00 0.00 174.62 174.59 1vdr s ASP 146 N 0.85 7.20 0.17 3.53 2.15 -1.26 -2.16 116.67 127.16 1vdr s ASP 146 Ca 0.32 2.19 0.04 0.00 0.43 0.00 0.00 52.55 55.53 1vdr s ASP 146 Cb -0.16 -2.61 -0.01 0.00 -0.30 0.00 0.00 42.92 39.83 1vdr s ASP 146 CO 0.14 -0.25 0.13 1.41 -0.17 0.00 0.00 175.17 176.42 1vdr n HIS 147 N 2.05 -0.33 -2.94 -5.34 8.25 -0.92 -4.92 115.22 111.07 1vdr n HIS 147 Ca 0.02 -1.38 -0.44 0.00 -0.26 0.00 0.00 57.72 55.67 1vdr n HIS 147 Cb 0.45 0.12 -0.04 0.00 1.12 0.00 0.00 29.99 31.65 1vdr n HIS 147 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1vdr s GLU 148 N -2.69 3.19 0.00 -0.41 2.02 -1.26 -3.99 118.70 115.57 1vdr s GLU 148 Ca 0.18 -1.16 0.00 0.00 0.02 0.00 0.00 54.97 54.01 1vdr s GLU 148 Cb 0.01 -4.37 0.00 0.00 0.10 0.00 0.00 34.13 29.87 1vdr s GLU 148 CO 0.13 -1.73 0.00 0.41 0.02 0.00 0.00 175.26 174.09 1vdr n GLY 149 N 5.33 2.35 2.87 -1.39 0.00 -1.26 -4.64 105.19 108.44 1vdr n GLY 149 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1vdr n GLY 149 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1vdr n PHE 150 N -0.57 -1.76 -3.66 1.61 -1.74 -1.26 -4.58 117.46 105.50 1vdr n PHE 150 Ca 0.00 -1.63 -0.29 0.00 -0.56 0.00 0.00 57.45 54.97 1vdr n PHE 150 Cb 0.00 0.62 -0.15 0.00 1.52 0.00 0.00 39.48 41.47 1vdr n PHE 150 CO 0.00 0.00 0.00 -0.08 -0.56 0.00 0.00 176.76 176.12 1vdr s THR 151 N -2.46 0.45 0.05 1.97 -1.32 -0.84 -2.17 115.64 111.32 1vdr s THR 151 Ca 0.17 -0.97 -0.32 0.00 -1.21 0.00 0.00 61.69 59.35 1vdr s THR 151 Cb -0.03 -1.27 -0.11 0.00 -1.51 0.00 0.00 72.50 69.58 1vdr s THR 151 CO 0.12 -0.59 1.86 -0.11 -2.21 0.00 0.00 174.62 173.69 1vdr n LEU 152 N 5.04 3.83 -4.13 9.08 -0.00 -0.92 -2.39 117.00 127.51 1vdr n LEU 152 Ca -0.05 0.97 -0.32 0.00 -0.00 0.00 0.00 56.01 56.61 1vdr n LEU 152 Cb 0.43 -1.49 -0.16 0.00 -0.00 0.00 0.00 43.42 42.20 1vdr n LEU 152 CO 0.09 0.08 -0.53 -1.10 -0.00 0.00 0.00 177.39 175.93 1vdr s GLN 153 N 3.33 2.83 -0.26 1.96 -0.21 0.28 -2.05 119.66 125.53 1vdr s GLN 153 Ca 0.86 -0.78 -0.13 0.00 0.02 0.00 0.00 55.36 55.33 1vdr s GLN 153 Cb -0.54 -2.35 -0.04 0.00 1.00 0.00 0.00 33.01 31.08 1vdr s GLN 153 CO 0.42 -0.08 0.28 -1.21 -2.12 0.00 0.00 175.29 172.58 1vdr s GLU 154 N 0.99 4.01 -0.19 2.91 2.02 -0.91 -1.30 118.70 126.23 1vdr s GLU 154 Ca -0.04 -0.12 -0.02 0.00 0.02 0.00 0.00 54.97 54.81 1vdr s GLU 154 Cb -0.15 -3.63 -0.01 0.00 0.10 0.00 0.00 34.13 30.44 1vdr s GLU 154 CO -0.05 -0.18 -0.08 -1.58 0.02 0.00 0.00 175.26 173.39 1vdr s TRP 155 N 1.77 2.91 0.15 1.61 0.52 -0.40 -0.94 118.94 124.55 1vdr s TRP 155 Ca 0.11 -0.90 0.06 0.00 0.02 0.00 0.00 56.10 55.39 1vdr s TRP 155 Cb -0.15 -2.02 -0.04 0.00 -1.15 0.00 0.00 33.47 30.11 1vdr s TRP 155 CO 0.09 -0.47 0.06 0.54 0.02 0.00 0.00 176.95 177.20 1vdr s VAL 156 N 1.13 4.15 -0.01 4.03 0.11 -0.60 -0.96 120.40 128.25 1vdr s VAL 156 Ca 0.01 -1.15 -0.30 0.00 -2.93 0.00 0.00 61.98 57.61 1vdr s VAL 156 Cb -0.14 -3.07 -0.06 0.00 -1.53 0.00 0.00 36.38 31.57 1vdr s VAL 156 CO -0.02 -0.05 1.54 -0.13 -3.33 0.00 0.00 175.10 173.11 1vdr s ARG 157 N -2.84 4.22 0.00 1.54 1.81 -0.98 -0.83 118.95 121.88 1vdr s ARG 157 Ca 0.29 2.11 0.00 0.00 -1.72 0.00 0.00 55.73 56.40 1vdr s ARG 157 Cb -0.10 -3.74 0.00 0.00 -0.45 0.00 0.00 34.95 30.66 1vdr s ARG 157 CO 0.21 -0.72 0.00 0.43 -0.68 0.00 0.00 175.30 174.54 1vdr n SER 158 N 6.13 0.00 0.00 0.23 7.64 -1.06 -4.83 113.62 121.73 1vdr n SER 158 Ca 0.15 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.03 1vdr n SER 158 Cb 0.43 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 1vdr n SER 158 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03