#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vhm n TYR 2 N 0.00 -0.22 -3.48 2.03 4.02 -1.26 -4.56 117.16 113.70 2vhm n TYR 2 Ca 0.00 -1.36 -0.05 0.00 -0.01 0.00 0.00 57.90 56.48 2vhm n TYR 2 Cb 0.00 0.09 0.01 0.00 -0.02 0.00 0.00 39.34 39.42 2vhm n TYR 2 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2vhm n ALA 3 N -1.93 -0.86 0.00 -0.72 0.00 -1.02 -3.98 120.51 112.00 2vhm n ALA 3 Ca -0.07 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.67 2vhm n ALA 3 Cb 0.30 0.56 0.00 0.00 0.00 0.00 0.00 19.45 20.31 2vhm n ALA 3 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2vhm n VAL 4 N -0.29 0.00 -3.58 0.00 3.14 -1.26 -3.83 118.33 112.51 2vhm n VAL 4 Ca -0.04 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.25 2vhm n VAL 4 Cb 0.32 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.06 2vhm n VAL 4 CO 0.00 0.00 0.00 0.12 -6.46 0.00 0.00 176.83 170.49 2vhm s PHE 5 N 0.00 -0.31 0.00 1.45 5.36 -1.26 -3.02 117.98 120.21 2vhm s PHE 5 Ca 0.00 0.46 0.00 0.00 -0.96 0.00 0.00 56.93 56.43 2vhm s PHE 5 Cb 0.00 0.47 0.00 0.00 -0.34 0.00 0.00 43.02 43.15 2vhm s PHE 5 CO 0.00 -0.32 0.00 0.00 -1.46 0.00 0.00 175.22 173.44 2vhm n GLN 6 N 0.51 0.00 -0.16 10.12 10.64 -1.26 -4.29 117.38 132.94 2vhm n GLN 6 Ca -0.08 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.09 2vhm n GLN 6 Cb 0.59 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.97 2vhm n GLN 6 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 2vhm n SER 7 N 0.00 -0.16 0.00 2.61 3.41 -1.26 -4.73 113.62 113.50 2vhm n SER 7 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2vhm n SER 7 Cb 0.00 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 2vhm n SER 7 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2vhm n GLY 8 N -0.08 3.18 3.13 5.00 0.00 -1.26 -4.96 105.19 110.20 2vhm n GLY 8 Ca 0.00 -0.74 -0.12 0.00 0.00 0.00 0.00 46.02 45.16 2vhm n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2vhm s GLY 9 N 0.00 -0.10 0.00 -0.02 0.00 -1.26 -5.05 107.32 100.89 2vhm s GLY 9 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 44.72 45.08 2vhm s GLY 9 CO 0.00 0.24 0.92 0.28 0.00 0.00 0.00 173.10 174.54 2vhm n LYS 10 N 2.24 0.57 -2.51 2.90 4.01 -1.26 -4.49 118.16 119.61 2vhm n LYS 10 Ca -0.17 0.00 -0.43 0.00 -0.51 0.00 0.00 58.31 57.20 2vhm n LYS 10 Cb 0.57 -1.22 -0.02 0.00 -0.51 0.00 0.00 35.03 33.85 2vhm n LYS 10 CO 0.00 0.00 0.00 -1.14 -1.11 0.00 0.00 177.40 175.15 2vhm s GLN 11 N 0.70 4.05 0.00 1.97 2.00 -1.26 -4.64 119.66 122.48 2vhm s GLN 11 Ca 0.00 1.28 0.00 0.00 -2.00 0.00 0.00 55.36 54.64 2vhm s GLN 11 Cb 0.00 -3.79 0.00 0.00 0.80 0.00 0.00 33.01 30.02 2vhm s GLN 11 CO 0.00 -0.93 0.00 0.72 -0.50 0.00 0.00 175.29 174.58 2vhm n HIS 12 N 7.08 0.00 0.00 1.67 8.25 -1.26 -4.64 115.22 126.32 2vhm n HIS 12 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 2vhm n HIS 12 Cb 0.46 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.57 2vhm n HIS 12 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2vhm n ARG 13 N -0.98 0.00 -0.86 -0.41 5.12 -1.25 -4.60 116.66 113.68 2vhm n ARG 13 Ca 0.00 0.00 -0.27 0.00 -1.93 0.00 0.00 57.85 55.65 2vhm n ARG 13 Cb 0.00 0.00 0.05 0.00 -1.16 0.00 0.00 32.46 31.35 2vhm n ARG 13 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2vhm n VAL 14 N 0.00 0.00 0.00 1.55 0.31 -1.26 -2.44 118.33 116.49 2vhm n VAL 14 Ca 0.00 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 2vhm n VAL 14 Cb 0.00 -0.10 0.00 0.00 -0.91 0.00 0.00 33.84 32.83 2vhm n VAL 14 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2vhm n SER 15 N 2.43 0.00 0.13 4.52 2.88 -1.26 -4.07 113.62 118.25 2vhm n SER 15 Ca -0.01 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.41 2vhm n SER 15 Cb 0.52 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.90 2vhm n SER 15 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 2vhm h GLU 16 N 0.00 -0.36 0.00 -1.46 9.09 -1.86 -3.46 114.58 116.53 2vhm h GLU 16 Ca 0.00 0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.43 2vhm h GLU 16 Cb 0.00 0.08 0.00 0.00 -1.65 0.00 0.00 28.75 27.18 2vhm h GLU 16 CO 0.00 -0.01 0.00 0.41 0.05 0.00 0.00 179.01 179.46 2vhm n GLY 17 N -0.02 2.07 2.86 1.06 0.00 -1.26 -4.34 105.19 105.55 2vhm n GLY 17 Ca -0.09 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.91 2vhm n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vhm n GLN 18 N -0.88 -2.81 -3.74 1.61 0.00 -1.25 -5.02 117.38 105.28 2vhm n GLN 18 Ca 0.00 2.28 -0.13 0.00 0.00 0.00 0.00 57.00 59.15 2vhm n GLN 18 Cb 0.00 -3.00 -0.10 0.00 0.00 0.00 0.00 30.24 27.14 2vhm n GLN 18 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 2vhm s THR 19 N -0.49 0.01 1.06 -0.39 -1.32 0.42 -4.93 115.64 110.00 2vhm s THR 19 Ca -0.13 -0.10 -0.20 0.00 -1.21 0.00 0.00 61.69 60.05 2vhm s THR 19 Cb 0.01 -0.56 0.01 0.00 -1.51 0.00 0.00 72.50 70.45 2vhm s THR 19 CO 0.40 -0.06 -0.34 1.33 -2.21 0.00 0.00 174.62 173.75 2vhm n VAL 20 N 2.47 0.00 -0.43 5.08 0.24 -1.25 -4.11 118.33 120.33 2vhm n VAL 20 Ca -0.15 -0.23 0.00 0.00 -2.04 0.00 0.00 64.34 61.92 2vhm n VAL 20 Cb 0.57 -0.43 0.00 0.00 -1.47 0.00 0.00 33.84 32.51 2vhm n VAL 20 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2vhm n ARG 21 N -0.70 0.00 0.00 7.34 5.12 -0.27 -4.91 116.66 123.23 2vhm n ARG 21 Ca 0.01 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.93 2vhm n ARG 21 Cb 0.64 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.94 2vhm n ARG 21 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2vhm n LEU 22 N 0.00 0.00 0.00 0.55 4.77 -1.26 -4.15 117.00 116.91 2vhm n LEU 22 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2vhm n LEU 22 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2vhm n LEU 22 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.39 174.22 2vhm n GLU 23 N 0.00 0.00 0.00 3.23 0.00 -1.26 0.29 120.64 122.90 2vhm n GLU 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 2vhm n GLU 23 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 2vhm n GLU 23 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2vhm n LYS 24 N 0.00 0.00 0.00 3.44 5.02 -1.26 -5.01 118.16 120.35 2vhm n LYS 24 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2vhm n LYS 24 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2vhm n LYS 24 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2vhm n LEU 25 N 0.00 0.00 0.00 -0.35 4.77 -1.26 -4.99 117.00 115.18 2vhm n LEU 25 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2vhm n LEU 25 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2vhm n LEU 25 CO 0.00 0.02 -0.19 -0.90 -1.33 0.00 0.00 177.39 174.99 2vhm n ASP 26 N 0.00 1.87 0.00 -1.43 5.75 -1.26 -5.10 116.55 116.38 2vhm n ASP 26 Ca 0.00 -0.18 0.00 0.00 -0.01 0.00 0.00 54.79 54.60 2vhm n ASP 26 Cb 0.02 0.73 0.00 0.00 -1.03 0.00 0.00 41.12 40.83 2vhm n ASP 26 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2vhm n ILE 27 N -0.92 0.00 -0.64 2.12 0.13 -1.26 -5.14 119.36 113.66 2vhm n ILE 27 Ca 0.00 0.00 -0.30 0.00 -1.10 0.00 0.00 62.75 61.35 2vhm n ILE 27 Cb 0.00 0.00 0.19 0.00 -0.84 0.00 0.00 39.64 38.99 2vhm n ILE 27 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2vhm s ALA 28 N 0.00 0.95 0.07 1.51 0.00 -1.26 -4.95 121.76 118.08 2vhm s ALA 28 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.39 2vhm s ALA 28 Cb 0.00 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.71 2vhm s ALA 28 CO 0.00 -3.07 0.00 -2.37 0.00 0.00 0.00 175.76 170.32 2vhm n THR 29 N -4.43 0.65 0.00 0.00 5.66 -1.26 -4.93 114.28 109.96 2vhm n THR 29 Ca 0.10 0.22 0.00 0.00 -3.05 0.00 0.00 64.05 61.31 2vhm n THR 29 Cb 0.53 -1.26 0.00 0.00 -1.55 0.00 0.00 70.33 68.05 2vhm n THR 29 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2vhm n GLY 30 N 3.35 1.71 0.00 1.09 0.00 -1.26 -4.78 105.19 105.30 2vhm n GLY 30 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2vhm n GLY 30 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2vhm n GLU 31 N 0.00 0.00 -1.39 1.61 2.13 -1.26 -4.63 120.64 117.10 2vhm n GLU 31 Ca 0.00 0.10 0.00 0.00 0.66 0.00 0.00 57.16 57.92 2vhm n GLU 31 Cb 0.00 -0.61 0.00 0.00 0.27 0.00 0.00 31.44 31.10 2vhm n GLU 31 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 2vhm n THR 32 N -0.21 0.00 -1.67 6.31 5.66 -1.26 -4.64 114.28 118.47 2vhm n THR 32 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2vhm n THR 32 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2vhm n THR 32 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 2vhm n VAL 33 N 9.00 0.00 -2.42 1.08 0.31 -1.26 -5.02 118.33 120.02 2vhm n VAL 33 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 2vhm n VAL 33 Cb 0.00 0.38 0.03 0.00 -0.91 0.00 0.00 33.84 33.34 2vhm n VAL 33 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2vhm n GLU 34 N 0.00 -1.95 -2.98 5.55 -0.58 -1.26 -4.99 120.64 114.42 2vhm n GLU 34 Ca 0.00 0.33 -0.44 0.00 -0.42 0.00 0.00 57.16 56.63 2vhm n GLU 34 Cb 0.22 -3.58 -0.02 0.00 -0.57 0.00 0.00 31.44 27.49 2vhm n GLU 34 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 2vhm s PHE 35 N -3.14 3.30 0.01 -0.32 2.99 -1.26 -4.77 117.98 114.78 2vhm s PHE 35 Ca 0.06 -1.64 -0.30 0.00 0.00 0.00 0.00 56.93 55.05 2vhm s PHE 35 Cb -0.01 -4.23 -0.08 0.00 0.00 0.00 0.00 43.02 38.70 2vhm s PHE 35 CO 0.28 -1.40 1.83 0.00 -0.00 0.00 0.00 175.22 175.93 2vhm s ALA 36 N 2.09 3.61 1.07 5.36 0.00 -1.26 -2.74 121.76 129.88 2vhm s ALA 36 Ca 0.33 1.19 -0.13 0.00 0.00 0.00 0.00 51.96 53.35 2vhm s ALA 36 Cb -0.05 -3.80 0.23 0.00 0.00 0.00 0.00 23.12 19.50 2vhm s ALA 36 CO -0.07 -1.46 1.08 -1.83 0.00 0.00 0.00 175.76 173.47 2vhm s GLU 37 N 4.12 -0.12 -0.02 0.00 1.03 -1.26 -4.92 118.70 117.52 2vhm s GLU 37 Ca 0.82 0.50 -0.01 0.00 0.03 0.00 0.00 54.97 56.30 2vhm s GLU 37 Cb -0.39 -1.67 -0.04 0.00 -0.80 0.00 0.00 34.13 31.22 2vhm s GLU 37 CO 0.36 -3.10 0.09 0.54 -1.33 0.00 0.00 175.26 171.82 2vhm s VAL 38 N -2.86 4.84 0.00 1.83 0.11 -1.26 -4.11 120.40 118.95 2vhm s VAL 38 Ca 0.67 -0.31 0.00 0.00 -2.93 0.00 0.00 61.98 59.40 2vhm s VAL 38 Cb -0.19 -3.19 0.00 0.00 -1.53 0.00 0.00 36.38 31.47 2vhm s VAL 38 CO 0.59 0.40 0.00 0.18 -3.33 0.00 0.00 175.10 172.94 2vhm n LEU 39 N 1.32 0.00 0.00 2.54 4.77 -1.26 -4.89 117.00 119.47 2vhm n LEU 39 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 2vhm n LEU 39 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 2vhm n LEU 39 CO 0.37 0.00 0.00 0.80 -1.33 0.00 0.00 177.39 177.23 2vhm n MET 40 N 0.00 0.00 -1.68 3.23 1.56 -1.26 -4.99 117.12 113.98 2vhm n MET 40 Ca 0.00 0.00 -0.45 0.00 -0.27 0.00 0.00 57.70 56.98 2vhm n MET 40 Cb 0.00 0.00 -0.04 0.00 2.15 0.00 0.00 33.22 35.33 2vhm n MET 40 CO 0.00 0.00 0.00 0.44 -0.73 0.00 0.00 175.97 175.68 2vhm n ILE 41 N 0.00 0.34 -0.63 1.12 -6.64 -1.17 -4.50 119.36 107.88 2vhm n ILE 41 Ca 0.00 -0.06 -0.38 0.00 -1.77 0.00 0.00 62.75 60.54 2vhm n ILE 41 Cb 0.00 -1.92 -0.11 0.00 -1.44 0.00 0.00 39.64 36.17 2vhm n ILE 41 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2vhm n ALA 42 N 5.41 0.70 -3.84 -1.28 0.00 -1.26 -3.57 120.51 116.67 2vhm n ALA 42 Ca 0.19 -2.44 -0.20 0.00 0.00 0.00 0.00 53.44 50.99 2vhm n ALA 42 Cb 0.33 -3.35 0.00 0.00 0.00 0.00 0.00 19.45 16.44 2vhm n ALA 42 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2vhm n ASN 43 N 9.31 -1.58 0.00 0.00 4.05 -0.59 -2.90 115.26 123.55 2vhm n ASN 43 Ca 0.42 -0.57 0.00 0.00 0.45 0.00 0.00 54.58 54.87 2vhm n ASN 43 Cb 0.41 -0.69 0.00 0.00 1.23 0.00 0.00 39.78 40.73 2vhm n ASN 43 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2vhm n GLY 44 N -1.47 0.98 0.00 8.20 0.00 -1.23 -4.38 105.19 107.29 2vhm n GLY 44 Ca -0.06 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.34 2vhm n GLY 44 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2vhm n GLU 45 N 0.00 0.00 -4.19 1.61 2.13 -1.14 -3.82 120.64 115.23 2vhm n GLU 45 Ca 0.00 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.47 2vhm n GLU 45 Cb 0.00 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.63 2vhm n GLU 45 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2vhm s GLU 46 N 0.00 3.14 0.00 5.31 0.41 -1.26 -4.31 118.70 121.99 2vhm s GLU 46 Ca 0.00 -0.32 0.00 0.00 -0.41 0.00 0.00 54.97 54.24 2vhm s GLU 46 Cb 0.00 -2.93 0.00 0.00 -1.78 0.00 0.00 34.13 29.42 2vhm s GLU 46 CO 0.00 0.72 0.00 1.55 -0.49 0.00 0.00 175.26 177.04 2vhm n VAL 47 N 2.00 0.00 -0.01 2.63 3.14 -1.26 -4.46 118.33 120.38 2vhm n VAL 47 Ca -0.19 0.00 0.23 0.00 -2.96 0.00 0.00 64.34 61.42 2vhm n VAL 47 Cb 0.54 0.00 0.72 0.00 -1.06 0.00 0.00 33.84 34.04 2vhm n VAL 47 CO 0.00 0.00 0.00 0.07 -6.46 0.00 0.00 176.83 170.44 2vhm h LYS 48 N 0.00 0.00 -2.37 1.45 2.10 -2.03 0.65 116.57 116.37 2vhm h LYS 48 Ca 0.00 0.00 -0.38 0.00 -2.00 0.00 0.00 60.65 58.27 2vhm h LYS 48 Cb 0.00 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.29 2vhm h LYS 48 CO 0.00 0.00 1.21 -0.89 -2.00 0.00 0.00 179.45 177.77 2vhm n ILE 49 N -3.95 3.53 -0.68 0.07 2.08 -1.26 -4.70 119.36 114.44 2vhm n ILE 49 Ca 0.11 -1.98 -0.05 0.00 0.56 0.00 0.00 62.75 61.40 2vhm n ILE 49 Cb 0.74 -2.21 -0.05 0.00 -0.75 0.00 0.00 39.64 37.36 2vhm n ILE 49 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2vhm n GLY 50 N 2.83 2.74 2.85 7.39 0.00 0.23 -4.75 105.19 116.48 2vhm n GLY 50 Ca 0.56 -0.43 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 2vhm n GLY 50 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2vhm n VAL 51 N 1.74 1.64 0.00 1.61 0.31 -1.26 -4.83 118.33 117.53 2vhm n VAL 51 Ca 0.15 -0.42 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 2vhm n VAL 51 Cb 0.63 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.56 2vhm n VAL 51 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2vhm n PRO 52 N 0.85 0.00 -1.88 5.55 -0.02 -1.26 -4.07 135.00 134.17 2vhm n PRO 52 Ca 0.15 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.21 2vhm n PRO 52 Cb 0.21 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.67 2vhm n PRO 52 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2vhm s PHE 53 N 0.00 1.91 0.00 6.00 5.36 -1.26 -4.14 117.98 125.85 2vhm s PHE 53 Ca 0.00 0.04 0.00 0.00 -0.96 0.00 0.00 56.93 56.01 2vhm s PHE 53 Cb 0.00 -4.03 0.00 0.00 -0.34 0.00 0.00 43.02 38.65 2vhm s PHE 53 CO 0.00 -4.38 0.00 0.28 -1.46 0.00 0.00 175.22 169.66 2vhm n VAL 54 N 5.26 0.00 -1.57 3.12 0.31 -1.24 -4.24 118.33 119.96 2vhm n VAL 54 Ca 0.18 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 64.11 2vhm n VAL 54 Cb 0.41 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.31 2vhm n VAL 54 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2vhm n ASP 55 N 1.06 2.77 0.00 4.52 8.00 -1.26 -1.55 116.55 130.09 2vhm n ASP 55 Ca 0.00 -0.16 0.15 0.00 0.71 0.00 0.00 54.79 55.49 2vhm n ASP 55 Cb 0.00 -1.57 0.86 0.00 -0.02 0.00 0.00 41.12 40.39 2vhm n ASP 55 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2vhm n GLY 56 N 5.90 -1.05 0.00 0.44 0.00 -1.26 -4.90 105.19 104.32 2vhm n GLY 56 Ca 0.34 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2vhm n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vhm n GLY 57 N 1.01 -2.03 3.92 -0.02 0.00 -1.26 -5.15 105.19 101.65 2vhm n GLY 57 Ca 0.20 -1.17 -0.29 0.00 0.00 0.00 0.00 46.02 44.76 2vhm n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vhm s VAL 58 N -2.15 2.01 -1.30 1.61 0.11 -1.26 -4.49 120.40 114.92 2vhm s VAL 58 Ca 0.00 -0.01 -0.01 0.00 -2.93 0.00 0.00 61.98 59.03 2vhm s VAL 58 Cb 0.00 -3.00 0.00 0.00 -1.53 0.00 0.00 36.38 31.86 2vhm s VAL 58 CO 0.00 0.00 0.16 2.30 -3.33 0.00 0.00 175.10 174.23 2vhm n ILE 59 N -3.52 -1.03 -3.60 7.04 -5.35 -1.26 -5.00 119.36 106.64 2vhm n ILE 59 Ca 0.12 0.00 -0.40 0.00 -0.27 0.00 0.00 62.75 62.20 2vhm n ILE 59 Cb 0.60 -2.58 -0.08 0.00 -1.74 0.00 0.00 39.64 35.85 2vhm n ILE 59 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 2vhm s LYS 60 N -5.02 2.80 0.00 6.28 -0.14 -1.26 -5.06 119.74 117.34 2vhm s LYS 60 Ca 0.08 -2.37 0.00 0.00 -1.36 0.00 0.00 55.97 52.32 2vhm s LYS 60 Cb -0.04 -3.93 0.00 0.00 -1.68 0.00 0.00 37.83 32.18 2vhm s LYS 60 CO 0.10 -1.20 0.00 0.00 -0.76 0.00 0.00 175.35 173.49 2vhm n ALA 61 N 3.87 0.00 -3.00 5.17 0.00 -1.26 -4.32 120.51 120.97 2vhm n ALA 61 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2vhm n ALA 61 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 2vhm n ALA 61 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2vhm n GLU 62 N 0.00 2.36 -3.91 0.00 4.71 -1.26 -4.45 120.64 118.09 2vhm n GLU 62 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.16 57.06 2vhm n GLU 62 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 31.44 30.36 2vhm n GLU 62 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2vhm s VAL 63 N 0.85 0.11 0.00 2.62 1.01 -1.15 -4.28 120.40 119.55 2vhm s VAL 63 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 61.98 60.69 2vhm s VAL 63 Cb 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 36.38 34.79 2vhm s VAL 63 CO 0.00 -0.48 0.00 1.33 0.00 0.00 0.00 175.10 175.95 2vhm n VAL 64 N -0.13 0.00 0.00 2.92 0.24 -1.11 -2.49 118.33 117.76 2vhm n VAL 64 Ca -0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 2vhm n VAL 64 Cb 0.63 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.00 2vhm n VAL 64 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2vhm n ALA 65 N -3.00 0.00 -3.95 2.33 0.00 -1.26 -3.46 120.51 111.16 2vhm n ALA 65 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 2vhm n ALA 65 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 2vhm n ALA 65 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2vhm n HIS 66 N 0.00 -2.20 -0.56 0.00 -0.00 -1.26 -4.63 115.22 106.57 2vhm n HIS 66 Ca 0.00 0.89 0.42 0.00 0.46 0.00 0.00 57.72 59.49 2vhm n HIS 66 Cb 0.00 -3.84 0.65 0.00 -0.12 0.00 0.00 29.99 26.67 2vhm n HIS 66 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2vhm n GLY 67 N -1.65 -0.78 0.00 1.57 0.00 -1.26 -4.24 105.19 98.82 2vhm n GLY 67 Ca 0.03 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.59 2vhm n GLY 67 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2vhm n ARG 68 N -3.51 0.00 -2.45 1.61 3.00 -1.26 -4.71 116.66 109.33 2vhm n ARG 68 Ca 0.35 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.77 2vhm n ARG 68 Cb 1.59 0.00 0.00 0.00 0.00 0.00 0.00 32.46 34.05 2vhm n ARG 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2vhm n GLY 69 N 0.00 2.90 0.00 5.14 0.00 -1.26 -3.83 105.19 108.14 2vhm n GLY 69 Ca 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.52 2vhm n GLY 69 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2vhm n GLU 70 N 7.97 0.00 0.00 1.61 1.02 -0.01 -4.42 120.64 126.82 2vhm n GLU 70 Ca 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.63 2vhm n GLU 70 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.87 2vhm n GLU 70 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2vhm n LYS 71 N 0.00 0.00 0.00 3.49 4.01 -1.26 -3.64 118.16 120.76 2vhm n LYS 71 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 2vhm n LYS 71 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 2vhm n LYS 71 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2vhm n VAL 72 N 1.21 0.00 0.00 -0.18 0.31 -1.26 -4.51 118.33 113.89 2vhm n VAL 72 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2vhm n VAL 72 Cb 0.00 -0.15 0.00 0.00 -0.91 0.00 0.00 33.84 32.78 2vhm n VAL 72 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2vhm n LYS 73 N 0.00 0.00 -1.70 5.55 4.81 -1.26 -4.89 118.16 120.67 2vhm n LYS 73 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2vhm n LYS 73 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2vhm n LYS 73 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08 2vhm n ILE 74 N 0.00 -4.25 -3.60 3.15 3.06 -1.26 -5.04 119.36 111.41 2vhm n ILE 74 Ca 0.00 1.96 -0.20 0.00 -2.50 0.00 0.00 62.75 62.02 2vhm n ILE 74 Cb 0.00 -2.61 -0.15 0.00 0.54 0.00 0.00 39.64 37.42 2vhm n ILE 74 CO 0.00 0.00 0.00 0.68 -2.50 0.00 0.00 176.55 174.73 2vhm s VAL 75 N -2.49 -0.23 0.00 9.51 -7.23 -1.26 -5.09 120.40 113.61 2vhm s VAL 75 Ca 0.00 0.10 0.00 0.00 -1.81 0.00 0.00 61.98 60.27 2vhm s VAL 75 Cb 0.00 -0.46 0.00 0.00 0.56 0.00 0.00 36.38 36.48 2vhm s VAL 75 CO 0.00 -0.06 0.41 1.17 -0.31 0.00 0.00 175.10 176.31 2vhm n LYS 76 N 5.31 0.00 -3.05 4.82 4.81 -1.26 -4.72 118.16 124.07 2vhm n LYS 76 Ca -0.05 0.41 -0.01 0.00 -0.87 0.00 0.00 58.31 57.79 2vhm n LYS 76 Cb 0.50 -0.67 -0.00 0.00 0.02 0.00 0.00 35.03 34.87 2vhm n LYS 76 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 2vhm n PHE 77 N -1.68 -0.82 -3.65 5.64 3.01 -1.26 -4.47 117.46 114.22 2vhm n PHE 77 Ca 0.00 0.42 -0.03 0.00 1.01 0.00 0.00 57.45 58.85 2vhm n PHE 77 Cb 0.00 -1.58 -0.05 0.00 -0.01 0.00 0.00 39.48 37.84 2vhm n PHE 77 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2vhm s ARG 78 N -0.66 0.57 0.00 -1.08 0.52 -1.26 -4.26 118.95 112.77 2vhm s ARG 78 Ca -0.03 1.37 0.00 0.00 -0.52 0.00 0.00 55.73 56.55 2vhm s ARG 78 Cb 0.00 0.71 0.00 0.00 0.52 0.00 0.00 34.95 36.18 2vhm s ARG 78 CO 0.15 -0.20 0.00 0.54 0.02 0.00 0.00 175.30 175.82 2vhm n ARG 79 N 5.27 1.67 -3.90 3.54 1.74 -1.26 -4.75 116.66 118.97 2vhm n ARG 79 Ca -0.13 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 56.97 2vhm n ARG 79 Cb 0.50 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.95 2vhm n ARG 79 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2vhm s ARG 80 N 0.00 0.41 0.00 5.56 1.70 -1.26 -3.97 118.95 121.39 2vhm s ARG 80 Ca 0.00 -0.26 0.00 0.00 -0.47 0.00 0.00 55.73 55.00 2vhm s ARG 80 Cb 0.00 0.12 0.00 0.00 -0.57 0.00 0.00 34.95 34.50 2vhm s ARG 80 CO 0.00 -0.19 0.00 1.63 -1.08 0.00 0.00 175.30 175.66 2vhm n LYS 81 N -0.80 0.00 0.00 3.89 4.76 -1.15 -4.91 118.16 119.94 2vhm n LYS 81 Ca 0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 2vhm n LYS 81 Cb 0.60 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.79 2vhm n LYS 81 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 2vhm n HIS 82 N 0.00 0.00 -2.58 2.13 -0.00 -1.26 -4.88 115.22 108.63 2vhm n HIS 82 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.69 2vhm n HIS 82 Cb 0.00 0.05 0.10 0.00 -0.00 0.00 0.00 29.99 30.14 2vhm n HIS 82 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 2vhm n TYR 83 N 0.00 -1.79 0.00 1.57 4.01 -1.26 -5.12 117.16 114.57 2vhm n TYR 83 Ca 0.00 -1.55 0.00 0.00 -0.16 0.00 0.00 57.90 56.19 2vhm n TYR 83 Cb 0.42 1.42 0.00 0.00 -0.31 0.00 0.00 39.34 40.87 2vhm n TYR 83 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29 2vhm n ARG 84 N -1.34 0.00 -3.60 -0.72 1.85 -1.26 -5.10 116.66 106.48 2vhm n ARG 84 Ca -0.19 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.37 2vhm n ARG 84 Cb 0.86 0.00 -0.09 0.00 -1.05 0.00 0.00 32.46 32.17 2vhm n ARG 84 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 2vhm n LYS 85 N -0.17 2.36 0.15 2.89 2.85 -1.26 -2.96 118.16 122.02 2vhm n LYS 85 Ca 0.00 -4.59 0.04 0.00 -1.05 0.00 0.00 58.31 52.71 2vhm n LYS 85 Cb 0.00 -2.29 0.06 0.00 -0.65 0.00 0.00 35.03 32.15 2vhm n LYS 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2vhm n GLN 86 N 1.39 0.02 0.00 -1.58 10.64 -1.26 -4.64 117.38 121.94 2vhm n GLN 86 Ca 0.25 0.67 0.00 0.00 -1.83 0.00 0.00 57.00 56.09 2vhm n GLN 86 Cb 0.38 -1.77 0.00 0.00 -0.86 0.00 0.00 30.24 27.99 2vhm n GLN 86 CO 0.00 0.00 0.00 0.94 -1.83 0.00 0.00 177.06 176.17 2vhm n GLN 87 N -2.04 0.00 0.00 2.61 7.27 -1.25 -4.68 117.38 119.29 2vhm n GLN 87 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.10 2vhm n GLN 87 Cb 0.77 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.42 2vhm n GLN 87 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2vhm n GLY 88 N 0.00 -1.89 3.65 1.69 0.00 -1.26 -5.02 105.19 102.35 2vhm n GLY 88 Ca 0.00 0.95 -0.04 0.00 0.00 0.00 0.00 46.02 46.94 2vhm n GLY 88 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2vhm s HIS 89 N 0.00 -0.18 -0.10 1.61 2.46 -1.26 -5.08 115.29 112.74 2vhm s HIS 89 Ca 0.00 0.41 -0.08 0.00 0.47 0.00 0.00 55.06 55.86 2vhm s HIS 89 Cb 0.00 0.40 0.03 0.00 -0.13 0.00 0.00 32.58 32.87 2vhm s HIS 89 CO 0.00 -0.09 0.26 0.50 -2.47 0.00 0.00 174.74 172.94 2vhm s ARG 90 N 0.27 0.29 -0.49 2.88 6.06 -1.26 -4.47 118.95 122.22 2vhm s ARG 90 Ca 0.04 0.39 0.06 0.00 -2.50 0.00 0.00 55.73 53.72 2vhm s ARG 90 Cb -0.05 0.11 0.19 0.00 0.06 0.00 0.00 34.95 35.26 2vhm s ARG 90 CO -0.13 -0.05 0.73 -1.14 -2.50 0.00 0.00 175.30 172.21 2vhm s GLN 91 N 0.29 0.99 0.87 5.12 -0.44 -1.26 -5.10 119.66 120.13 2vhm s GLN 91 Ca -0.01 -0.89 -0.12 0.00 -2.50 0.00 0.00 55.36 51.84 2vhm s GLN 91 Cb -0.03 -0.02 0.11 0.00 -1.64 0.00 0.00 33.01 31.43 2vhm s GLN 91 CO -0.01 -1.25 1.10 1.67 0.50 0.00 0.00 175.29 177.29 2vhm s TRP 92 N 1.04 2.51 -0.14 1.67 -0.00 -1.26 -5.06 118.94 117.69 2vhm s TRP 92 Ca 0.27 1.18 -0.07 0.00 -0.00 0.00 0.00 56.10 57.49 2vhm s TRP 92 Cb -0.00 -3.16 -0.04 0.00 -0.00 0.00 0.00 33.47 30.26 2vhm s TRP 92 CO -0.06 -2.19 0.11 -0.59 -0.00 0.00 0.00 176.95 174.22 2vhm s PHE 93 N -3.04 3.44 0.00 1.66 -0.12 -1.26 -5.08 117.98 113.58 2vhm s PHE 93 Ca 0.63 0.36 0.00 0.00 -0.05 0.00 0.00 56.93 57.87 2vhm s PHE 93 Cb -0.16 -1.99 0.00 0.00 -0.63 0.00 0.00 43.02 40.23 2vhm s PHE 93 CO 0.56 0.50 0.00 0.25 -0.05 0.00 0.00 175.22 176.48 2vhm n THR 94 N 2.62 0.00 0.00 -4.49 -2.24 -1.26 -4.99 114.28 103.91 2vhm n THR 94 Ca -0.18 0.41 0.00 0.00 -2.27 0.00 0.00 64.05 62.01 2vhm n THR 94 Cb 0.54 -1.10 0.00 0.00 -2.10 0.00 0.00 70.33 67.67 2vhm n THR 94 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2vhm n ASP 95 N 0.00 0.00 -4.21 3.42 3.85 -1.24 -4.51 116.55 113.86 2vhm n ASP 95 Ca 0.00 0.00 -0.21 0.00 -0.71 0.00 0.00 54.79 53.87 2vhm n ASP 95 Cb 0.00 0.00 -0.12 0.00 -1.35 0.00 0.00 41.12 39.65 2vhm n ASP 95 CO 0.00 0.00 0.00 0.68 -1.01 0.00 0.00 177.20 176.87 2vhm s VAL 96 N -1.84 1.33 0.00 2.12 -7.23 0.83 -0.83 120.40 114.79 2vhm s VAL 96 Ca 0.00 -1.34 0.00 0.00 -1.81 0.00 0.00 61.98 58.83 2vhm s VAL 96 Cb 0.00 -1.24 0.00 0.00 0.56 0.00 0.00 36.38 35.70 2vhm s VAL 96 CO 0.00 -0.13 0.00 0.29 -0.31 0.00 0.00 175.10 174.95 2vhm n LYS 97 N 1.31 0.00 0.00 4.82 4.01 -1.25 -1.12 118.16 125.93 2vhm n LYS 97 Ca -0.20 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.60 2vhm n LYS 97 Cb 0.54 -0.04 0.00 0.00 -0.51 0.00 0.00 35.03 35.02 2vhm n LYS 97 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 2vhm n ILE 98 N -0.11 0.00 -1.60 -0.18 2.08 -1.26 -3.87 119.36 114.41 2vhm n ILE 98 Ca 0.00 0.00 0.04 0.00 0.56 0.00 0.00 62.75 63.35 2vhm n ILE 98 Cb 0.00 0.00 0.06 0.00 -0.75 0.00 0.00 39.64 38.95 2vhm n ILE 98 CO 0.00 0.00 0.00 1.07 0.56 0.00 0.00 176.55 178.18 2vhm n THR 99 N 1.89 0.78 0.00 1.39 5.66 -1.26 -0.44 114.28 122.30 2vhm n THR 99 Ca 0.00 -0.94 0.00 0.00 -3.05 0.00 0.00 64.05 60.06 2vhm n THR 99 Cb 0.00 0.20 0.00 0.00 -1.55 0.00 0.00 70.33 68.98 2vhm n THR 99 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2vhm n GLY 100 N -0.59 0.00 3.67 1.09 0.00 -1.25 -4.47 105.19 103.64 2vhm n GLY 100 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 2vhm n GLY 100 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2vhm n ILE 101 N 0.62 0.62 -0.77 -0.61 2.08 -1.04 -4.39 119.36 115.88 2vhm n ILE 101 Ca 0.00 -0.11 -0.34 0.00 0.56 0.00 0.00 62.75 62.86 2vhm n ILE 101 Cb 0.00 -2.25 0.13 0.00 -0.75 0.00 0.00 39.64 36.78 2vhm n ILE 101 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 2vhm n SER 102 N 6.83 -2.66 0.00 4.38 7.64 -1.26 -2.94 113.62 125.62 2vhm n SER 102 Ca 0.19 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 60.06 2vhm n SER 102 Cb 0.39 -0.90 0.00 0.00 -1.01 0.00 0.00 64.21 62.69 2vhm n SER 102 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03