#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vhm n PHE 2 N 0.00 -3.06 -3.67 1.12 3.72 -1.26 -3.94 117.46 110.36 2vhm n PHE 2 Ca 0.00 1.67 -0.36 0.00 -0.05 0.00 0.00 57.45 58.71 2vhm n PHE 2 Cb 0.00 -3.23 -0.08 0.00 -0.94 0.00 0.00 39.48 35.23 2vhm n PHE 2 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2vhm s THR 3 N -0.67 5.37 -0.10 4.37 2.01 -1.26 -1.67 115.64 123.69 2vhm s THR 3 Ca -0.15 0.28 0.00 0.00 0.31 0.00 0.00 61.69 62.13 2vhm s THR 3 Cb 0.01 -3.52 0.02 0.00 0.01 0.00 0.00 72.50 69.03 2vhm s THR 3 CO 0.56 0.41 -0.08 -0.63 -0.69 0.00 0.00 174.62 174.18 2vhm s ILE 4 N 0.53 1.03 0.27 1.82 1.01 -0.59 -4.92 121.20 120.35 2vhm s ILE 4 Ca 0.10 -0.32 -0.29 0.00 0.00 0.00 0.00 60.65 60.14 2vhm s ILE 4 Cb -0.12 -1.03 -0.10 0.00 0.01 0.00 0.00 42.46 41.22 2vhm s ILE 4 CO 0.01 0.36 1.31 0.54 0.00 0.00 0.00 174.94 177.16 2vhm s ASN 5 N 1.51 6.83 0.21 3.58 2.20 -1.26 0.50 114.94 128.50 2vhm s ASN 5 Ca 0.01 2.57 -0.08 0.00 -0.94 0.00 0.00 52.86 54.42 2vhm s ASN 5 Cb -0.13 -2.63 -0.02 0.00 -2.00 0.00 0.00 41.25 36.47 2vhm s ASN 5 CO -0.06 -0.53 0.30 0.00 -2.94 0.00 0.00 177.10 173.88 2vhm s ALA 6 N -0.58 0.29 -0.21 3.54 0.00 -1.17 -4.61 121.76 119.02 2vhm s ALA 6 Ca 0.53 -1.15 -0.28 0.00 0.00 0.00 0.00 51.96 51.06 2vhm s ALA 6 Cb -0.39 1.10 0.12 0.00 0.00 0.00 0.00 23.12 23.96 2vhm s ALA 6 CO 0.46 -0.70 1.01 -1.83 0.00 0.00 0.00 175.76 174.70 2vhm s GLU 7 N -4.05 0.56 0.63 0.00 -1.05 -1.26 -1.59 118.70 111.94 2vhm s GLU 7 Ca 0.26 0.35 -0.18 0.00 -0.15 0.00 0.00 54.97 55.25 2vhm s GLU 7 Cb 0.03 0.27 -0.02 0.00 -0.44 0.00 0.00 34.13 33.97 2vhm s GLU 7 CO 0.07 -0.13 1.23 0.14 0.95 0.00 0.00 175.26 177.52 2vhm s VAL 8 N -0.49 2.44 -0.46 1.83 -7.23 -1.25 -2.96 120.40 112.28 2vhm s VAL 8 Ca 0.00 0.26 -0.29 0.00 -1.81 0.00 0.00 61.98 60.15 2vhm s VAL 8 Cb -0.03 -3.05 0.02 0.00 0.56 0.00 0.00 36.38 33.89 2vhm s VAL 8 CO -0.02 -0.07 1.26 -0.13 -0.31 0.00 0.00 175.10 175.83 2vhm s ARG 9 N -3.45 3.64 0.38 4.82 1.81 -0.98 -4.87 118.95 120.30 2vhm s ARG 9 Ca 0.78 0.71 0.07 0.00 -1.72 0.00 0.00 55.73 55.57 2vhm s ARG 9 Cb -0.32 -3.97 0.79 0.00 -0.45 0.00 0.00 34.95 31.01 2vhm s ARG 9 CO 0.37 -1.49 1.98 0.87 -0.68 0.00 0.00 175.30 176.35 2vhm h LYS 10 N 9.93 0.66 -4.52 3.54 1.57 -1.93 -3.42 116.57 122.39 2vhm h LYS 10 Ca -0.25 -0.04 -0.31 0.00 -1.87 0.00 0.00 60.65 58.18 2vhm h LYS 10 Cb 1.08 -0.15 -0.24 0.00 0.08 0.00 0.00 32.23 33.00 2vhm h LYS 10 CO 1.11 0.44 -0.75 -1.21 -0.57 0.00 0.00 179.45 178.48 2vhm s GLU 11 N -5.61 0.52 0.16 3.15 2.02 -1.26 -5.17 118.70 112.50 2vhm s GLU 11 Ca -0.09 -0.54 -0.00 0.00 0.02 0.00 0.00 54.97 54.35 2vhm s GLU 11 Cb 0.19 -0.38 -0.04 0.00 0.10 0.00 0.00 34.13 34.00 2vhm s GLU 11 CO 0.76 0.09 0.06 1.14 0.02 0.00 0.00 175.26 177.33 2vhm s GLN 12 N -1.00 1.03 0.00 1.61 1.03 -1.26 -4.70 119.66 116.38 2vhm s GLN 12 Ca -0.05 -1.51 0.00 0.00 0.04 0.00 0.00 55.36 53.85 2vhm s GLN 12 Cb -0.07 0.13 0.00 0.00 0.03 0.00 0.00 33.01 33.10 2vhm s GLN 12 CO 0.00 -0.26 0.00 0.41 -2.54 0.00 0.00 175.29 172.90 2vhm n GLY 13 N -0.17 0.12 0.00 2.60 0.00 -1.26 -4.67 105.19 101.81 2vhm n GLY 13 Ca -0.04 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.50 2vhm n GLY 13 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2vhm n LYS 14 N 0.70 0.00 0.00 1.61 4.81 -1.26 -2.23 118.16 121.79 2vhm n LYS 14 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2vhm n LYS 14 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2vhm n LYS 14 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2vhm n GLY 15 N 0.00 -0.45 0.34 3.14 0.00 -1.26 -0.62 105.19 106.34 2vhm n GLY 15 Ca 0.00 0.10 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 2vhm n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vhm h ALA 16 N -0.83 -0.26 -0.94 4.61 0.00 -1.72 -2.24 119.26 117.88 2vhm h ALA 16 Ca 0.00 0.07 0.22 0.00 0.00 0.00 0.00 54.91 55.21 2vhm h ALA 16 Cb 0.00 0.70 -0.18 0.00 0.00 0.00 0.00 17.79 18.31 2vhm h ALA 16 CO 0.00 -0.76 -0.10 0.43 0.00 0.00 0.00 179.25 178.81 2vhm n SER 17 N -5.41 -0.22 -0.06 0.00 7.64 -0.08 0.34 113.62 115.83 2vhm n SER 17 Ca -0.00 1.60 -0.13 0.00 1.01 0.00 0.00 58.87 61.35 2vhm n SER 17 Cb 0.34 -0.54 -0.07 0.00 -1.01 0.00 0.00 64.21 62.93 2vhm n SER 17 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2vhm h ARG 18 N 0.00 0.38 -0.51 1.43 2.47 -0.29 -0.99 114.38 116.87 2vhm h ARG 18 Ca 0.51 -0.19 0.09 0.00 -1.26 0.00 0.00 59.98 59.14 2vhm h ARG 18 Cb 0.93 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 29.18 2vhm h ARG 18 CO -0.92 0.73 0.07 0.00 0.56 0.00 0.00 179.97 180.41 2vhm h ARG 19 N 0.03 0.19 -0.35 0.04 3.08 0.30 -2.03 114.38 115.65 2vhm h ARG 19 Ca 0.03 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.95 2vhm h ARG 19 Cb 0.65 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 2vhm h ARG 19 CO 0.03 0.13 -0.28 -0.07 -1.07 0.00 0.00 179.97 178.71 2vhm h LEU 20 N 0.20 0.75 -1.91 3.04 3.38 -0.03 -2.57 115.31 118.18 2vhm h LEU 20 Ca 0.26 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 2vhm h LEU 20 Cb 0.37 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 2vhm h LEU 20 CO -0.37 0.99 -0.12 -0.09 0.09 0.00 0.00 178.44 178.94 2vhm h ARG 21 N 0.63 0.00 0.00 1.13 2.43 -0.52 0.18 114.38 118.23 2vhm h ARG 21 Ca 0.08 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2vhm h ARG 21 Cb 0.79 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 2vhm h ARG 21 CO 0.07 0.12 -0.15 0.00 -1.51 0.00 0.00 179.97 178.49 2vhm n ALA 22 N -2.31 2.69 -0.43 2.80 0.00 -0.82 -2.33 120.51 120.12 2vhm n ALA 22 Ca -0.02 -0.17 0.11 0.00 0.00 0.00 0.00 53.44 53.36 2vhm n ALA 22 Cb 0.23 -1.36 0.33 0.00 0.00 0.00 0.00 19.45 18.65 2vhm n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2vhm n ALA 23 N -1.51 2.52 -1.08 0.00 0.00 -0.49 -4.90 120.51 115.05 2vhm n ALA 23 Ca 0.06 -1.36 -0.03 0.00 0.00 0.00 0.00 53.44 52.11 2vhm n ALA 23 Cb 0.34 -0.95 -0.01 0.00 0.00 0.00 0.00 19.45 18.83 2vhm n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2vhm n ASN 24 N 1.58 -3.64 -3.44 0.00 3.02 -0.98 -4.83 115.26 106.96 2vhm n ASN 24 Ca 0.25 0.07 -0.35 0.00 -0.03 0.00 0.00 54.58 54.51 2vhm n ASN 24 Cb 0.68 -1.37 -0.01 0.00 -0.61 0.00 0.00 39.78 38.47 2vhm n ASN 24 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2vhm n LYS 25 N -2.50 4.28 -1.07 3.52 5.02 0.51 0.18 118.16 128.10 2vhm n LYS 25 Ca -0.03 -4.72 -0.35 0.00 -2.02 0.00 0.00 58.31 51.19 2vhm n LYS 25 Cb 0.14 -2.38 0.09 0.00 -0.02 0.00 0.00 35.03 32.86 2vhm n LYS 25 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 2vhm n PHE 26 N 0.18 -1.28 -2.49 2.13 1.16 -1.24 -3.69 117.46 112.23 2vhm n PHE 26 Ca 0.37 0.29 -0.20 0.00 -1.87 0.00 0.00 57.45 56.03 2vhm n PHE 26 Cb 0.33 -1.84 0.11 0.00 -1.61 0.00 0.00 39.48 36.47 2vhm n PHE 26 CO 0.00 0.00 0.00 -0.35 -1.87 0.00 0.00 176.76 174.54 2vhm n PRO 27 N -0.93 -0.10 -2.23 3.97 -0.04 -1.26 -2.90 135.00 131.50 2vhm n PRO 27 Ca 0.08 -2.27 -0.00 0.00 -0.04 0.00 0.00 63.50 61.27 2vhm n PRO 27 Cb 0.52 -0.62 0.01 0.00 -0.04 0.00 0.00 33.50 33.36 2vhm n PRO 27 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2vhm n ALA 28 N -2.99 -0.86 -3.46 0.55 0.00 0.93 -2.79 120.51 111.88 2vhm n ALA 28 Ca -0.14 -0.28 -0.10 0.00 0.00 0.00 0.00 53.44 52.91 2vhm n ALA 28 Cb 0.50 0.13 -0.02 0.00 0.00 0.00 0.00 19.45 20.07 2vhm n ALA 28 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2vhm s ILE 29 N -2.34 0.00 -0.16 0.00 -1.16 -1.04 -2.81 121.20 113.69 2vhm s ILE 29 Ca 0.07 0.00 -0.03 0.00 -0.51 0.00 0.00 60.65 60.18 2vhm s ILE 29 Cb -0.01 -1.00 0.05 0.00 0.61 0.00 0.00 42.46 42.12 2vhm s ILE 29 CO 0.01 0.00 0.05 -0.63 -2.81 0.00 0.00 174.94 171.56 2vhm s ILE 30 N -3.40 0.27 0.16 2.00 1.01 -1.25 -2.12 121.20 117.87 2vhm s ILE 30 Ca 0.03 -0.28 0.02 0.00 0.00 0.00 0.00 60.65 60.41 2vhm s ILE 30 Cb -0.01 -0.77 -0.05 0.00 0.01 0.00 0.00 42.46 41.65 2vhm s ILE 30 CO -0.11 -0.15 -0.00 -0.72 0.00 0.00 0.00 174.94 173.96 2vhm s TYR 31 N 1.98 1.17 0.00 3.97 -0.85 -0.58 -3.32 117.35 119.72 2vhm s TYR 31 Ca 0.01 -1.02 0.00 0.00 -0.52 0.00 0.00 57.07 55.54 2vhm s TYR 31 Cb -0.16 -0.67 0.00 0.00 0.38 0.00 0.00 41.96 41.52 2vhm s TYR 31 CO -0.08 -0.22 0.00 0.41 -1.52 0.00 0.00 175.55 174.15 2vhm n GLY 32 N -0.22 0.75 0.00 5.49 0.00 -1.26 -2.49 105.19 107.46 2vhm n GLY 32 Ca -0.07 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2vhm n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vhm n GLY 33 N 0.00 2.70 0.01 -0.02 0.00 -1.26 -4.26 105.19 102.35 2vhm n GLY 33 Ca 0.00 0.08 0.06 0.00 0.00 0.00 0.00 46.02 46.16 2vhm n GLY 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2vhm n LYS 34 N 0.00 0.38 -3.38 1.61 4.81 -1.26 -4.96 118.16 115.36 2vhm n LYS 34 Ca 0.00 -0.11 -0.36 0.00 -0.87 0.00 0.00 58.31 56.97 2vhm n LYS 34 Cb 0.00 -1.30 -0.06 0.00 0.02 0.00 0.00 35.03 33.70 2vhm n LYS 34 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 2vhm s GLU 35 N -2.87 3.98 0.00 1.64 -1.05 -1.26 -5.09 118.70 114.04 2vhm s GLU 35 Ca -0.05 0.48 0.00 0.00 -0.15 0.00 0.00 54.97 55.25 2vhm s GLU 35 Cb 0.08 -2.98 0.00 0.00 -0.44 0.00 0.00 34.13 30.79 2vhm s GLU 35 CO 0.52 0.51 0.00 0.00 0.95 0.00 0.00 175.26 177.25 2vhm n ALA 36 N 0.96 0.00 -0.72 -0.84 0.00 -1.26 -4.37 120.51 114.28 2vhm n ALA 36 Ca -0.07 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.20 2vhm n ALA 36 Cb 0.52 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.04 2vhm n ALA 36 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2vhm n PRO 37 N 0.00 -0.89 0.00 0.00 -0.02 -1.21 -4.49 135.00 128.39 2vhm n PRO 37 Ca 0.00 -0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.22 2vhm n PRO 37 Cb 0.00 -1.21 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 2vhm n PRO 37 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2vhm n LEU 38 N 1.32 0.00 -4.72 2.45 7.94 -1.24 -4.82 117.00 117.93 2vhm n LEU 38 Ca 0.02 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.49 2vhm n LEU 38 Cb 0.33 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.25 2vhm n LEU 38 CO 0.22 0.00 1.34 0.00 -1.11 0.00 0.00 177.39 177.84 2vhm n ALA 39 N 0.00 2.66 -2.74 1.96 0.00 -1.26 -3.89 120.51 117.25 2vhm n ALA 39 Ca 0.00 0.40 -0.15 0.00 0.00 0.00 0.00 53.44 53.69 2vhm n ALA 39 Cb 0.00 -2.50 -0.11 0.00 0.00 0.00 0.00 19.45 16.84 2vhm n ALA 39 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2vhm s ILE 40 N 1.00 0.80 0.31 0.00 -0.00 -1.12 -2.30 121.20 119.87 2vhm s ILE 40 Ca 0.74 -1.26 0.11 0.00 -0.00 0.00 0.00 60.65 60.24 2vhm s ILE 40 Cb -0.52 -0.90 -0.05 0.00 -0.00 0.00 0.00 42.46 40.98 2vhm s ILE 40 CO 0.35 -0.37 -0.12 -1.83 -0.00 0.00 0.00 174.94 172.97 2vhm s GLU 41 N -1.87 1.84 0.06 0.37 -1.05 -1.16 -0.05 118.70 116.85 2vhm s GLU 41 Ca -0.05 -1.79 -0.09 0.00 -0.15 0.00 0.00 54.97 52.89 2vhm s GLU 41 Cb -0.09 -1.80 0.00 0.00 -0.44 0.00 0.00 34.13 31.80 2vhm s GLU 41 CO 0.01 0.24 0.20 -0.51 0.95 0.00 0.00 175.26 176.15 2vhm s LEU 42 N -3.59 1.37 0.18 1.83 1.43 -1.14 -4.13 118.68 114.63 2vhm s LEU 42 Ca 0.32 -0.50 -0.32 0.00 -1.03 0.00 0.00 54.13 52.60 2vhm s LEU 42 Cb -0.02 1.02 -0.11 0.00 0.03 0.00 0.00 46.19 47.11 2vhm s LEU 42 CO 0.17 -0.64 1.65 -0.62 0.23 0.00 0.00 176.35 177.14 2vhm s ASP 43 N -2.46 6.48 0.00 2.29 -1.08 -1.26 -3.67 116.67 116.97 2vhm s ASP 43 Ca -0.00 2.74 0.00 0.00 -0.52 0.00 0.00 52.55 54.77 2vhm s ASP 43 Cb 0.02 -2.60 0.00 0.00 -1.46 0.00 0.00 42.92 38.88 2vhm s ASP 43 CO -0.07 -0.90 0.29 1.57 0.52 0.00 0.00 175.17 176.57 2vhm n HIS 44 N 4.05 0.00 0.00 -5.34 -0.00 0.47 -2.08 115.22 112.32 2vhm n HIS 44 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.87 2vhm n HIS 44 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.36 2vhm n HIS 44 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 2vhm n ASP 45 N -0.30 0.00 -0.10 0.26 5.68 -1.26 0.69 116.55 121.52 2vhm n ASP 45 Ca 0.00 0.11 -0.19 0.00 -0.50 0.00 0.00 54.79 54.20 2vhm n ASP 45 Cb 0.00 -0.11 -0.11 0.00 -1.14 0.00 0.00 41.12 39.76 2vhm n ASP 45 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 2vhm h LYS 46 N 0.00 0.00 0.11 0.11 1.63 -1.94 -3.27 116.57 113.21 2vhm h LYS 46 Ca 0.00 0.00 -0.26 0.00 -0.85 0.00 0.00 60.65 59.54 2vhm h LYS 46 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 2vhm h LYS 46 CO 0.00 0.96 -1.18 0.28 -3.45 0.00 0.00 179.45 176.05 2vhm h VAL 47 N -1.00 1.48 -0.01 2.00 2.07 -0.38 -2.92 116.25 117.50 2vhm h VAL 47 Ca -0.26 -2.95 0.00 0.00 0.82 0.00 0.00 66.70 64.31 2vhm h VAL 47 Cb 1.20 2.85 -0.00 0.00 -1.52 0.00 0.00 31.29 33.82 2vhm h VAL 47 CO -0.16 0.86 0.01 -0.03 0.02 0.00 0.00 177.57 178.28 2vhm h MET 48 N 0.10 0.00 -0.84 1.57 1.85 0.05 0.19 114.93 117.85 2vhm h MET 48 Ca -0.12 0.00 -0.47 0.00 -0.61 0.00 0.00 59.70 58.50 2vhm h MET 48 Cb 1.89 0.00 -0.26 0.00 0.43 0.00 0.00 31.60 33.66 2vhm h MET 48 CO 0.20 0.00 0.46 0.09 -0.40 0.00 0.00 176.91 177.26 2vhm n ASN 49 N -3.66 4.17 0.00 1.39 3.02 -1.11 -4.16 115.26 114.91 2vhm n ASN 49 Ca -0.03 -3.69 0.00 0.00 -0.03 0.00 0.00 54.58 50.83 2vhm n ASN 49 Cb 0.09 -0.80 0.00 0.00 -0.61 0.00 0.00 39.78 38.46 2vhm n ASN 49 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 2vhm n MET 50 N -1.09 0.74 0.17 3.52 1.56 0.51 -4.65 117.12 117.89 2vhm n MET 50 Ca 0.54 0.00 0.11 0.00 -0.27 0.00 0.00 57.70 58.08 2vhm n MET 50 Cb 1.33 -0.66 0.59 0.00 2.15 0.00 0.00 33.22 36.62 2vhm n MET 50 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2vhm n GLN 51 N -1.36 0.14 0.23 2.12 10.64 -0.26 -2.52 117.38 126.37 2vhm n GLN 51 Ca 0.00 0.64 0.16 0.00 -1.83 0.00 0.00 57.00 55.97 2vhm n GLN 51 Cb 0.16 -1.99 0.84 0.00 -0.86 0.00 0.00 30.24 28.40 2vhm n GLN 51 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2vhm h ALA 52 N 1.92 1.75 -2.30 2.61 0.00 -1.83 -3.43 119.26 117.99 2vhm h ALA 52 Ca 0.00 -0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.41 2vhm h ALA 52 Cb 0.06 0.01 0.03 0.00 0.00 0.00 0.00 17.79 17.89 2vhm h ALA 52 CO 0.00 -0.21 0.11 0.21 0.00 0.00 0.00 179.25 179.36 2vhm s LYS 53 N -4.66 3.57 -0.07 0.00 2.36 -1.05 -5.02 119.74 114.88 2vhm s LYS 53 Ca -0.05 0.24 -0.24 0.00 -2.55 0.00 0.00 55.97 53.37 2vhm s LYS 53 Cb 0.15 -2.37 -0.29 0.00 -1.05 0.00 0.00 37.83 34.27 2vhm s LYS 53 CO 0.56 -0.19 0.88 0.00 1.55 0.00 0.00 175.35 178.15 2vhm h ALA 54 N 0.34 -0.06 0.00 3.13 0.00 -1.91 -3.31 119.26 117.46 2vhm h ALA 54 Ca -0.47 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 53.81 2vhm h ALA 54 Cb 1.20 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2vhm h ALA 54 CO 0.62 0.27 0.00 0.39 0.00 0.00 0.00 179.25 180.53 2vhm n GLU 55 N -4.26 0.39 -0.07 0.00 1.02 -1.26 -2.00 120.64 114.46 2vhm n GLU 55 Ca -0.13 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.80 2vhm n GLU 55 Cb 0.72 -1.20 -0.12 0.00 -0.02 0.00 0.00 31.44 30.82 2vhm n GLU 55 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2vhm h PHE 56 N 0.64 0.13 -0.35 -0.32 -0.00 -1.88 -3.23 116.94 111.94 2vhm h PHE 56 Ca 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 57.97 57.87 2vhm h PHE 56 Cb 0.21 -0.01 0.00 0.00 -0.00 0.00 0.00 35.95 36.15 2vhm h PHE 56 CO 0.00 1.57 0.00 0.66 -0.00 0.00 0.00 178.31 180.54 2vhm n TYR 57 N -4.19 0.45 -0.01 0.41 4.02 -0.85 -4.45 117.16 112.55 2vhm n TYR 57 Ca -0.32 -0.23 -0.02 0.00 -0.01 0.00 0.00 57.90 57.33 2vhm n TYR 57 Cb 0.78 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 40.09 2vhm n TYR 57 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2vhm n SER 58 N 0.98 0.53 -3.62 7.72 2.88 -1.17 -4.87 113.62 116.06 2vhm n SER 58 Ca 0.18 0.08 -0.30 0.00 -1.33 0.00 0.00 58.87 57.50 2vhm n SER 58 Cb 0.47 -0.40 0.27 0.00 -0.75 0.00 0.00 64.21 63.79 2vhm n SER 58 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2vhm s GLU 59 N -1.51 -2.14 0.48 -1.46 2.12 -1.22 -5.00 118.70 109.98 2vhm s GLU 59 Ca -0.06 0.05 0.00 0.00 0.36 0.00 0.00 54.97 55.32 2vhm s GLU 59 Cb 0.01 -1.48 0.01 0.00 0.26 0.00 0.00 34.13 32.93 2vhm s GLU 59 CO 0.09 -4.34 0.71 0.14 -0.54 0.00 0.00 175.26 171.32 2vhm s VAL 60 N -2.62 3.60 0.43 3.70 -7.23 -1.26 -4.62 120.40 112.40 2vhm s VAL 60 Ca 0.70 -0.53 0.03 0.00 -1.81 0.00 0.00 61.98 60.37 2vhm s VAL 60 Cb -0.12 -3.34 -0.03 0.00 0.56 0.00 0.00 36.38 33.46 2vhm s VAL 60 CO 0.57 -0.24 0.08 -0.76 -0.31 0.00 0.00 175.10 174.44 2vhm s LEU 61 N -4.63 2.15 0.22 1.32 1.43 -0.52 -4.80 118.68 113.85 2vhm s LEU 61 Ca 0.51 -1.62 0.02 0.00 -1.03 0.00 0.00 54.13 52.01 2vhm s LEU 61 Cb -0.10 -0.36 -0.05 0.00 0.03 0.00 0.00 46.19 45.71 2vhm s LEU 61 CO 0.38 -0.84 0.05 0.42 0.23 0.00 0.00 176.35 176.58 2vhm s THR 62 N -3.10 0.64 -0.12 5.49 -4.23 -0.67 -1.98 115.64 111.67 2vhm s THR 62 Ca 0.21 -1.99 -0.05 0.00 -1.18 0.00 0.00 61.69 58.68 2vhm s THR 62 Cb 0.03 -2.38 0.06 0.00 1.34 0.00 0.00 72.50 71.55 2vhm s THR 62 CO 0.12 -0.24 0.25 -0.63 -0.54 0.00 0.00 174.62 173.58 2vhm s ILE 63 N -3.69 -0.31 -0.28 2.99 1.01 -1.26 -1.54 121.20 118.12 2vhm s ILE 63 Ca 0.31 0.25 -0.05 0.00 0.00 0.00 0.00 60.65 61.16 2vhm s ILE 63 Cb 0.07 -0.42 -0.16 0.00 0.01 0.00 0.00 42.46 41.96 2vhm s ILE 63 CO 0.09 0.11 2.68 0.52 0.00 0.00 0.00 174.94 178.34 2vhm n VAL 64 N 5.06 2.39 -1.55 2.92 0.31 0.18 -4.42 118.33 123.23 2vhm n VAL 64 Ca -0.11 -1.27 -0.25 0.00 -0.01 0.00 0.00 64.34 62.70 2vhm n VAL 64 Cb 0.51 -1.97 -0.06 0.00 -0.91 0.00 0.00 33.84 31.41 2vhm n VAL 64 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 2vhm n VAL 65 N 2.95 -0.04 0.00 2.52 3.14 -1.25 -3.03 118.33 122.62 2vhm n VAL 65 Ca 0.37 -0.63 0.00 0.00 -2.96 0.00 0.00 64.34 61.12 2vhm n VAL 65 Cb 0.55 -2.25 0.00 0.00 -1.06 0.00 0.00 33.84 31.07 2vhm n VAL 65 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 2vhm n ASP 66 N 16.68 0.00 0.00 6.55 -0.08 -0.62 -0.73 116.55 138.35 2vhm n ASP 66 Ca 0.44 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.72 2vhm n ASP 66 Cb 0.46 -0.21 0.00 0.00 2.34 0.00 0.00 41.12 43.71 2vhm n ASP 66 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2vhm n GLY 67 N -0.48 0.22 0.00 0.27 0.00 -1.24 -5.11 105.19 98.85 2vhm n GLY 67 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2vhm n GLY 67 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2vhm n LYS 68 N 0.00 0.00 -4.29 1.61 2.85 0.10 -5.16 118.16 113.26 2vhm n LYS 68 Ca 0.00 0.00 -0.23 0.00 -1.05 0.00 0.00 58.31 57.03 2vhm n LYS 68 Cb 0.00 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.31 2vhm n LYS 68 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2vhm s GLU 69 N 0.85 2.28 0.15 -1.58 0.41 -1.26 -3.82 118.70 115.73 2vhm s GLU 69 Ca 0.00 -1.40 0.00 0.00 -0.41 0.00 0.00 54.97 53.16 2vhm s GLU 69 Cb 0.00 -2.16 0.00 0.00 -1.78 0.00 0.00 34.13 30.19 2vhm s GLU 69 CO 0.00 0.37 0.00 0.44 -0.49 0.00 0.00 175.26 175.58 2vhm n ILE 70 N -0.83 0.16 -2.53 -1.63 -0.00 -1.26 -4.94 119.36 108.33 2vhm n ILE 70 Ca -0.07 0.05 -0.04 0.00 -0.00 0.00 0.00 62.75 62.69 2vhm n ILE 70 Cb 0.59 -0.52 -0.04 0.00 -0.00 0.00 0.00 39.64 39.67 2vhm n ILE 70 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 2vhm n LYS 71 N -3.08 -4.82 -4.22 6.28 4.76 -1.26 -4.59 118.16 111.24 2vhm n LYS 71 Ca 0.00 3.58 -0.18 0.00 -2.87 0.00 0.00 58.31 58.84 2vhm n LYS 71 Cb 0.00 -5.01 -0.07 0.00 -1.84 0.00 0.00 35.03 28.11 2vhm n LYS 71 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2vhm s VAL 72 N -0.65 0.00 -0.05 -0.18 -7.23 -0.84 0.28 120.40 111.74 2vhm s VAL 72 Ca -0.22 -1.88 -0.02 0.00 -1.81 0.00 0.00 61.98 58.05 2vhm s VAL 72 Cb 0.01 -2.54 0.03 0.00 0.56 0.00 0.00 36.38 34.45 2vhm s VAL 72 CO 0.59 0.00 0.08 -0.75 -0.31 0.00 0.00 175.10 174.71 2vhm s LYS 73 N -3.37 -0.05 -0.39 4.82 2.47 0.20 -1.43 119.74 121.99 2vhm s LYS 73 Ca 0.38 0.40 -0.28 0.00 -1.56 0.00 0.00 55.97 54.90 2vhm s LYS 73 Cb 0.02 -0.43 -0.07 0.00 -1.46 0.00 0.00 37.83 35.88 2vhm s LYS 73 CO 0.25 -0.31 2.33 0.00 0.16 0.00 0.00 175.35 177.78 2vhm n ALA 74 N 5.18 1.19 -0.06 3.13 0.00 -1.26 -2.57 120.51 126.12 2vhm n ALA 74 Ca -0.06 -0.55 -0.03 0.00 0.00 0.00 0.00 53.44 52.80 2vhm n ALA 74 Cb 0.50 -2.99 -0.01 0.00 0.00 0.00 0.00 19.45 16.95 2vhm n ALA 74 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2vhm h GLN 75 N 16.79 0.00 -2.35 0.00 5.75 -1.76 -3.47 115.11 130.07 2vhm h GLN 75 Ca -0.30 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.12 2vhm h GLN 75 Cb 1.27 0.00 -0.20 0.00 1.07 0.00 0.00 27.48 29.62 2vhm h GLN 75 CO 1.08 0.00 0.02 0.34 -2.65 0.00 0.00 178.83 177.62 2vhm s ASP 76 N -5.34 -0.51 0.22 -0.69 2.15 -0.91 -4.98 116.67 106.61 2vhm s ASP 76 Ca -0.10 0.58 0.10 0.00 0.43 0.00 0.00 52.55 53.55 2vhm s ASP 76 Cb 0.01 0.54 -0.05 0.00 -0.30 0.00 0.00 42.92 43.13 2vhm s ASP 76 CO 0.15 -0.52 -0.18 0.68 -0.17 0.00 0.00 175.17 175.13 2vhm s VAL 77 N -1.07 2.05 -0.68 1.11 -7.23 -1.26 0.28 120.40 113.60 2vhm s VAL 77 Ca -0.11 -2.21 0.03 0.00 -1.81 0.00 0.00 61.98 57.88 2vhm s VAL 77 Cb -0.02 -2.10 0.17 0.00 0.56 0.00 0.00 36.38 34.99 2vhm s VAL 77 CO 0.07 -0.44 0.48 -1.10 -0.31 0.00 0.00 175.10 173.80 2vhm s GLN 78 N -3.36 2.49 0.67 4.82 -0.21 0.65 -4.95 119.66 119.77 2vhm s GLN 78 Ca 0.24 -3.09 -0.17 0.00 0.02 0.00 0.00 55.36 52.36 2vhm s GLN 78 Cb -0.04 -3.52 0.01 0.00 1.00 0.00 0.00 33.01 30.46 2vhm s GLN 78 CO 0.10 -1.23 1.24 -0.98 -2.12 0.00 0.00 175.29 172.30 2vhm s ARG 79 N -1.03 2.45 -0.31 2.91 1.70 -1.26 -1.44 118.95 121.97 2vhm s ARG 79 Ca 0.23 1.90 -0.28 0.00 -0.47 0.00 0.00 55.73 57.11 2vhm s ARG 79 Cb -0.12 -1.85 -0.03 0.00 -0.57 0.00 0.00 34.95 32.38 2vhm s ARG 79 CO -0.11 -1.63 2.00 -1.58 -1.08 0.00 0.00 175.30 172.90 2vhm s HIS 80 N -1.66 1.52 0.00 5.89 5.65 -1.21 -4.76 115.29 120.71 2vhm s HIS 80 Ca 0.78 0.66 0.00 0.00 0.25 0.00 0.00 55.06 56.75 2vhm s HIS 80 Cb -0.33 -4.02 0.00 0.00 -1.18 0.00 0.00 32.58 27.05 2vhm s HIS 80 CO 0.41 -3.32 0.10 -2.30 -0.65 0.00 0.00 174.74 168.97 2vhm n PRO 81 N 8.62 0.00 -2.57 2.88 -0.02 -1.26 -0.63 135.00 142.02 2vhm n PRO 81 Ca 0.26 0.10 -0.36 0.00 -2.02 0.00 0.00 63.50 61.48 2vhm n PRO 81 Cb 0.47 -0.17 0.01 0.00 -0.02 0.00 0.00 33.50 33.79 2vhm n PRO 81 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 2vhm n TYR 82 N -1.18 3.19 -3.54 6.00 -0.00 -1.26 -4.93 117.16 115.43 2vhm n TYR 82 Ca 0.00 -2.92 -0.13 0.00 -0.00 0.00 0.00 57.90 54.85 2vhm n TYR 82 Cb 0.00 -0.92 -0.05 0.00 -0.00 0.00 0.00 39.34 38.37 2vhm n TYR 82 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.86 177.01 2vhm s LYS 83 N -4.01 0.81 0.00 -3.48 1.02 0.20 -5.01 119.74 109.27 2vhm s LYS 83 Ca 0.45 0.09 0.10 0.00 0.02 0.00 0.00 55.97 56.63 2vhm s LYS 83 Cb 0.27 0.38 0.46 0.00 -0.52 0.00 0.00 37.83 38.43 2vhm s LYS 83 CO -0.19 -0.27 1.29 -2.30 -0.92 0.00 0.00 175.35 172.96 2vhm n PRO 84 N 0.59 0.05 0.00 -1.68 -0.02 -1.26 -4.12 135.00 128.56 2vhm n PRO 84 Ca -0.13 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 2vhm n PRO 84 Cb 0.59 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.57 2vhm n PRO 84 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2vhm n LYS 85 N -1.43 0.45 -4.13 -0.52 5.02 -1.26 -4.88 118.16 111.41 2vhm n LYS 85 Ca 0.03 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.19 2vhm n LYS 85 Cb 0.11 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.05 2vhm n LYS 85 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2vhm s LEU 86 N 0.00 1.00 0.00 -0.35 1.02 -1.26 -3.36 118.68 115.73 2vhm s LEU 86 Ca 0.00 -1.38 0.00 0.00 0.02 0.00 0.00 54.13 52.77 2vhm s LEU 86 Cb 0.00 1.12 0.00 0.00 0.02 0.00 0.00 46.19 47.33 2vhm s LEU 86 CO 0.00 -1.11 0.00 0.00 0.02 0.00 0.00 176.35 175.26 2vhm n GLN 87 N -0.46 0.21 -1.99 1.70 3.00 -0.52 -4.48 117.38 114.84 2vhm n GLN 87 Ca 0.02 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.61 2vhm n GLN 87 Cb 0.63 0.00 -0.00 0.00 0.00 0.00 0.00 30.24 30.87 2vhm n GLN 87 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 2vhm s HIS 88 N 2.29 2.75 -0.15 1.08 5.65 -1.25 -4.28 115.29 121.38 2vhm s HIS 88 Ca 0.00 1.36 0.01 0.00 0.25 0.00 0.00 55.06 56.68 2vhm s HIS 88 Cb 0.00 -3.74 0.02 0.00 -1.18 0.00 0.00 32.58 27.67 2vhm s HIS 88 CO 0.00 -2.30 -0.16 0.42 -0.65 0.00 0.00 174.74 172.05 2vhm s ILE 89 N -1.23 1.70 0.07 0.89 1.01 -1.12 -0.26 121.20 122.27 2vhm s ILE 89 Ca 0.57 -0.73 -0.30 0.00 0.00 0.00 0.00 60.65 60.19 2vhm s ILE 89 Cb -0.40 -1.57 -0.05 0.00 0.01 0.00 0.00 42.46 40.45 2vhm s ILE 89 CO 0.52 0.48 0.96 -1.81 0.00 0.00 0.00 174.94 175.09 2vhm s ASP 90 N 1.33 7.45 -0.22 3.58 1.11 0.81 -2.50 116.67 128.23 2vhm s ASP 90 Ca 0.03 1.75 -0.01 0.00 0.18 0.00 0.00 52.55 54.49 2vhm s ASP 90 Cb -0.13 -2.58 0.06 0.00 1.07 0.00 0.00 42.92 41.34 2vhm s ASP 90 CO -0.09 -0.13 0.01 -0.36 1.18 0.00 0.00 175.17 175.78 2vhm s PHE 91 N 0.33 1.62 0.37 4.23 0.40 -0.90 -2.15 117.98 121.87 2vhm s PHE 91 Ca 0.48 -1.29 -0.22 0.00 -0.60 0.00 0.00 56.93 55.31 2vhm s PHE 91 Cb -0.23 -1.31 -0.10 0.00 0.51 0.00 0.00 43.02 41.90 2vhm s PHE 91 CO 0.29 -0.70 0.91 0.54 0.70 0.00 0.00 175.22 176.96 2vhm s VAL 92 N 1.66 4.37 0.48 -0.44 0.11 -1.06 -1.52 120.40 123.99 2vhm s VAL 92 Ca -0.02 1.54 -0.03 0.00 -2.93 0.00 0.00 61.98 60.54 2vhm s VAL 92 Cb -0.18 -3.77 -0.02 0.00 -1.53 0.00 0.00 36.38 30.89 2vhm s VAL 92 CO -0.09 -0.10 0.75 -0.60 -3.33 0.00 0.00 175.10 171.73 2vhm s ARG 93 N -2.67 3.30 0.00 1.54 3.52 -1.04 0.62 118.95 124.22 2vhm s ARG 93 Ca 0.56 -0.07 0.31 0.00 -0.13 0.00 0.00 55.73 56.39 2vhm s ARG 93 Cb -0.13 -2.44 1.59 0.00 -1.56 0.00 0.00 34.95 32.41 2vhm s ARG 93 CO 0.18 -0.27 2.05 0.00 -0.81 0.00 0.00 175.30 176.45