#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgj n GLU 2 N 0.00 0.40 -3.99 2.12 0.00 0.30 -4.88 120.64 114.58 2hgj n GLU 2 Ca 0.00 -1.10 0.03 0.00 0.00 0.00 0.00 57.16 56.09 2hgj n GLU 2 Cb 0.00 1.19 0.01 0.00 0.00 0.00 0.00 31.44 32.64 2hgj n GLU 2 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.13 178.65 2hgj s TYR 3 N -5.05 0.02 0.33 -1.84 -0.85 -1.26 -0.95 117.35 107.75 2hgj s TYR 3 Ca 0.10 -0.12 -0.18 0.00 -0.52 0.00 0.00 57.07 56.35 2hgj s TYR 3 Cb -0.01 0.55 0.06 0.00 0.38 0.00 0.00 41.96 42.94 2hgj s TYR 3 CO 0.07 -0.23 0.85 0.50 -1.52 0.00 0.00 175.55 175.22 2hgj s ARG 4 N -2.03 1.97 -0.12 -3.49 3.52 -0.05 -4.80 118.95 113.97 2hgj s ARG 4 Ca 0.30 -1.26 -0.01 0.00 -0.13 0.00 0.00 55.73 54.63 2hgj s ARG 4 Cb -0.00 0.56 0.03 0.00 -1.56 0.00 0.00 34.95 33.97 2hgj s ARG 4 CO -0.01 -0.92 -0.06 -0.51 -0.81 0.00 0.00 175.30 172.98 2hgj s LEU 5 N -3.15 1.18 0.76 -0.88 1.43 -0.69 -4.46 118.68 112.87 2hgj s LEU 5 Ca 0.17 -0.34 -0.17 0.00 -1.03 0.00 0.00 54.13 52.76 2hgj s LEU 5 Cb -0.04 -0.80 -0.10 0.00 0.03 0.00 0.00 46.19 45.28 2hgj s LEU 5 CO 0.10 -0.14 -0.07 0.29 0.23 0.00 0.00 176.35 176.75 2hgj n LYS 6 N 4.96 0.07 -1.33 1.70 4.76 -1.26 -0.45 118.16 126.61 2hgj n LYS 6 Ca -0.12 0.04 -0.02 0.00 -2.87 0.00 0.00 58.31 55.34 2hgj n LYS 6 Cb 0.50 -1.34 0.01 0.00 -1.84 0.00 0.00 35.03 32.35 2hgj n LYS 6 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2hgj n ALA 7 N -2.27 0.13 -0.55 7.82 0.00 -0.27 -4.07 120.51 121.31 2hgj n ALA 7 Ca 0.06 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2hgj n ALA 7 Cb 0.51 0.07 0.00 0.00 0.00 0.00 0.00 19.45 20.03 2hgj n ALA 7 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2hgj n TYR 8 N -1.05 -0.77 -3.89 0.00 4.02 -1.26 -4.87 117.16 109.34 2hgj n TYR 8 Ca 0.01 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.55 2hgj n TYR 8 Cb 0.07 0.22 -0.09 0.00 -0.02 0.00 0.00 39.34 39.53 2hgj n TYR 8 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 2hgj s TYR 9 N -0.45 3.36 0.00 -0.72 1.51 -1.26 -4.97 117.35 114.81 2hgj s TYR 9 Ca 0.00 0.24 0.00 0.00 -1.01 0.00 0.00 57.07 56.30 2hgj s TYR 9 Cb 0.00 -2.08 0.00 0.00 -0.11 0.00 0.00 41.96 39.77 2hgj s TYR 9 CO 0.00 0.30 0.00 0.54 -1.11 0.00 0.00 175.55 175.28 2hgj n ARG 10 N 3.28 0.88 0.00 -0.62 3.00 -1.26 -4.14 116.66 117.80 2hgj n ARG 10 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.67 2hgj n ARG 10 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.99 2hgj n ARG 10 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2hgj n GLU 11 N 0.00 0.00 0.00 5.56 1.02 -1.26 -4.33 120.64 121.63 2hgj n GLU 11 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2hgj n GLU 11 Cb 0.00 -0.05 0.00 0.00 -0.02 0.00 0.00 31.44 31.37 2hgj n GLU 11 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2hgj n GLY 12 N 0.00 -2.25 0.00 0.62 0.00 -1.26 -5.04 105.19 97.25 2hgj n GLY 12 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.74 2hgj n GLY 12 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2hgj n GLU 13 N -0.68 0.00 0.02 1.61 1.02 -1.26 -0.87 120.64 120.49 2hgj n GLU 13 Ca 0.00 0.30 -0.09 0.00 -0.02 0.00 0.00 57.16 57.36 2hgj n GLU 13 Cb 0.00 -0.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.86 2hgj n GLU 13 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2hgj h LYS 14 N 0.00 -0.35 -0.82 3.49 6.56 -1.83 -0.13 116.57 123.49 2hgj h LYS 14 Ca 0.00 0.02 0.19 0.00 -1.06 0.00 0.00 60.65 59.81 2hgj h LYS 14 Cb 0.00 0.08 -0.15 0.00 -0.57 0.00 0.00 32.23 31.59 2hgj h LYS 14 CO 0.00 -0.23 -0.10 -2.30 -2.06 0.00 0.00 179.45 174.76 2hgj n PRO 15 N -4.14 -0.07 0.06 3.15 -0.02 -0.59 0.14 135.00 133.52 2hgj n PRO 15 Ca -0.04 1.25 -0.11 0.00 -2.02 0.00 0.00 63.50 62.58 2hgj n PRO 15 Cb 0.22 -1.93 -0.07 0.00 -0.02 0.00 0.00 33.50 31.70 2hgj n PRO 15 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2hgj h SER 16 N 0.00 -1.17 -1.04 2.55 4.64 0.77 0.63 113.55 119.93 2hgj h SER 16 Ca 0.44 0.13 0.42 0.00 -0.47 0.00 0.00 61.79 62.31 2hgj h SER 16 Cb 0.80 0.44 -0.17 0.00 -0.31 0.00 0.00 62.40 63.16 2hgj h SER 16 CO -0.81 -0.38 0.58 0.00 -0.87 0.00 0.00 176.83 175.35 2hgj h ALA 17 N -0.78 2.22 0.16 5.18 0.00 0.24 0.98 119.26 127.26 2hgj h ALA 17 Ca 0.00 0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2hgj h ALA 17 Cb 0.53 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2hgj h ALA 17 CO -0.24 -0.98 -0.17 -0.07 0.00 0.00 0.00 179.25 177.79 2hgj h LEU 18 N 0.03 -0.46 -0.59 0.00 3.38 0.21 -0.12 115.31 117.77 2hgj h LEU 18 Ca 0.84 0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.96 2hgj h LEU 18 Cb 2.26 0.15 -0.11 0.00 0.09 0.00 0.00 40.66 43.05 2hgj h LEU 18 CO -0.72 -0.22 -0.15 0.54 0.09 0.00 0.00 178.44 177.97 2hgj n ARG 19 N -3.33 -0.06 0.00 1.13 1.74 0.92 0.29 116.66 117.35 2hgj n ARG 19 Ca -0.04 0.91 0.00 0.00 -0.77 0.00 0.00 57.85 57.95 2hgj n ARG 19 Cb 0.15 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.23 2hgj n ARG 19 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2hgj n ARG 20 N -4.95 0.00 -0.28 5.56 0.63 -0.38 -1.28 116.66 115.96 2hgj n ARG 20 Ca 0.09 0.72 0.10 0.00 -0.92 0.00 0.00 57.85 57.84 2hgj n ARG 20 Cb 0.29 -1.45 0.20 0.00 0.45 0.00 0.00 32.46 31.95 2hgj n ARG 20 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2hgj n ALA 21 N -2.36 0.35 0.00 5.13 0.00 0.84 -4.61 120.51 119.86 2hgj n ALA 21 Ca 0.00 0.85 0.00 0.00 0.00 0.00 0.00 53.44 54.29 2hgj n ALA 21 Cb 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 18.86 2hgj n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hgj n GLY 22 N -1.42 1.11 2.81 0.00 0.00 0.06 -5.10 105.19 102.64 2hgj n GLY 22 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 2hgj n GLY 22 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2hgj s LYS 23 N 0.00 0.42 0.03 1.61 2.20 -0.88 -2.15 119.74 120.97 2hgj s LYS 23 Ca 0.00 0.07 0.01 0.00 -0.36 0.00 0.00 55.97 55.70 2hgj s LYS 23 Cb 0.00 -0.64 -0.04 0.00 -1.51 0.00 0.00 37.83 35.64 2hgj s LYS 23 CO 0.00 -0.17 0.06 -0.51 -0.36 0.00 0.00 175.35 174.37 2hgj s LEU 24 N 1.28 3.76 0.18 5.43 1.43 0.16 0.31 118.68 131.22 2hgj s LEU 24 Ca -0.06 0.05 -0.32 0.00 -1.03 0.00 0.00 54.13 52.77 2hgj s LEU 24 Cb -0.13 -2.28 -0.16 0.00 0.03 0.00 0.00 46.19 43.65 2hgj s LEU 24 CO -0.02 0.24 0.96 -0.81 0.23 0.00 0.00 176.35 176.94 2hgj n PRO 25 N 0.97 0.75 -4.26 1.29 -0.04 -1.26 -1.47 135.00 130.98 2hgj n PRO 25 Ca -0.12 0.27 -0.26 0.00 -0.04 0.00 0.00 63.50 63.35 2hgj n PRO 25 Cb 0.52 -1.61 -0.17 0.00 -0.04 0.00 0.00 33.50 32.20 2hgj n PRO 25 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2hgj s GLY 26 N -0.36 0.86 -0.29 0.55 0.00 -0.47 -0.61 107.32 107.00 2hgj s GLY 26 Ca 0.70 -0.54 -0.12 0.00 0.00 0.00 0.00 44.72 44.76 2hgj s GLY 26 CO 0.55 0.43 0.22 0.14 0.00 0.00 0.00 173.10 174.45 2hgj s VAL 27 N 1.17 5.29 -0.37 1.40 1.01 -0.20 -0.76 120.40 127.94 2hgj s VAL 27 Ca -0.05 0.16 -0.10 0.00 0.00 0.00 0.00 61.98 62.00 2hgj s VAL 27 Cb -0.14 -3.58 0.03 0.00 0.00 0.00 0.00 36.38 32.69 2hgj s VAL 27 CO -0.03 0.19 0.18 -0.32 0.00 0.00 0.00 175.10 175.13 2hgj s MET 28 N 1.80 2.76 -0.00 2.72 1.75 -0.22 -1.57 119.30 126.53 2hgj s MET 28 Ca 0.08 -1.11 0.06 0.00 -1.25 0.00 0.00 55.69 53.47 2hgj s MET 28 Cb -0.16 -3.66 -0.02 0.00 2.84 0.00 0.00 34.83 33.83 2hgj s MET 28 CO 0.11 -0.70 -0.19 -0.47 -0.65 0.00 0.00 175.02 173.12 2hgj s TYR 29 N 1.51 1.73 0.11 4.11 6.04 -0.25 -1.16 117.35 129.44 2hgj s TYR 29 Ca 0.01 -0.33 -0.02 0.00 0.04 0.00 0.00 57.07 56.77 2hgj s TYR 29 Cb -0.19 -1.10 -0.04 0.00 -1.04 0.00 0.00 41.96 39.59 2hgj s TYR 29 CO 0.06 -0.01 0.05 0.54 -1.54 0.00 0.00 175.55 174.65 2hgj s ASN 30 N -0.58 0.33 -0.67 4.32 4.22 -0.25 -1.07 114.94 121.23 2hgj s ASN 30 Ca 0.07 -1.09 -0.28 0.00 -2.14 0.00 0.00 52.86 49.42 2hgj s ASN 30 Cb -0.08 0.28 -0.17 0.00 1.28 0.00 0.00 41.25 42.57 2hgj s ASN 30 CO -0.00 -0.70 2.00 -1.14 -2.04 0.00 0.00 177.10 175.21 2hgj n ARG 31 N -0.04 0.00 -2.77 3.55 0.63 -1.26 -0.74 116.66 116.03 2hgj n ARG 31 Ca -0.09 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.69 2hgj n ARG 31 Cb 0.63 -1.18 -0.00 0.00 0.45 0.00 0.00 32.46 32.35 2hgj n ARG 31 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2hgj n HIS 32 N 7.57 -1.59 -3.83 -0.14 8.25 -1.26 -4.97 115.22 119.26 2hgj n HIS 32 Ca 0.49 0.18 -0.12 0.00 -0.26 0.00 0.00 57.72 58.01 2hgj n HIS 32 Cb 0.01 -2.82 -0.13 0.00 1.12 0.00 0.00 29.99 28.17 2hgj n HIS 32 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2hgj s LEU 33 N -5.92 1.54 -0.21 2.41 1.43 0.08 -5.17 118.68 112.84 2hgj s LEU 33 Ca 0.14 0.23 -0.28 0.00 -1.03 0.00 0.00 54.13 53.19 2hgj s LEU 33 Cb -0.07 0.39 0.13 0.00 0.03 0.00 0.00 46.19 46.67 2hgj s LEU 33 CO 0.18 -0.04 1.05 0.21 0.23 0.00 0.00 176.35 177.97 2hgj s ASN 34 N 0.09 -0.36 0.18 2.29 3.84 -1.26 -1.09 114.94 118.63 2hgj s ASN 34 Ca -0.00 0.50 -0.20 0.00 0.21 0.00 0.00 52.86 53.37 2hgj s ASN 34 Cb -0.01 0.44 0.05 0.00 -0.55 0.00 0.00 41.25 41.17 2hgj s ASN 34 CO -0.00 -0.26 0.56 -0.60 -2.79 0.00 0.00 177.10 174.01 2hgj s ARG 35 N -0.67 1.34 -0.19 0.43 3.52 -0.31 -5.03 118.95 118.04 2hgj s ARG 35 Ca 0.01 -0.69 -0.11 0.00 -0.13 0.00 0.00 55.73 54.81 2hgj s ARG 35 Cb -0.02 0.55 -0.05 0.00 -1.56 0.00 0.00 34.95 33.87 2hgj s ARG 35 CO -0.02 -0.58 0.16 0.21 -0.81 0.00 0.00 175.30 174.26 2hgj s LYS 36 N -3.82 4.19 0.31 5.12 2.20 -1.26 -1.05 119.74 125.43 2hgj s LYS 36 Ca 0.05 -0.16 0.09 0.00 -0.36 0.00 0.00 55.97 55.59 2hgj s LYS 36 Cb -0.01 -3.42 -0.06 0.00 -1.51 0.00 0.00 37.83 32.83 2hgj s LYS 36 CO -0.07 0.30 -0.10 0.08 -0.36 0.00 0.00 175.35 175.19 2hgj s VAL 37 N 0.36 2.09 -0.00 4.02 1.01 0.06 -1.11 120.40 126.82 2hgj s VAL 37 Ca 0.10 -2.21 0.08 0.00 0.00 0.00 0.00 61.98 59.94 2hgj s VAL 37 Cb -0.11 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 2hgj s VAL 37 CO -0.01 -0.28 -0.24 -0.31 0.00 0.00 0.00 175.10 174.26 2hgj s TYR 38 N -2.72 2.17 -0.94 5.22 4.12 0.40 -1.37 117.35 124.23 2hgj s TYR 38 Ca 0.31 -0.41 -0.24 0.00 0.02 0.00 0.00 57.07 56.75 2hgj s TYR 38 Cb 0.02 -1.37 -0.02 0.00 -1.52 0.00 0.00 41.96 39.06 2hgj s TYR 38 CO 0.15 0.00 1.82 0.08 0.02 0.00 0.00 175.55 177.62 2hgj s VAL 39 N -0.63 3.57 -0.54 0.71 1.01 -0.54 -1.70 120.40 122.28 2hgj s VAL 39 Ca 0.10 -0.49 -0.25 0.00 0.00 0.00 0.00 61.98 61.33 2hgj s VAL 39 Cb -0.09 -4.29 0.04 0.00 0.00 0.00 0.00 36.38 32.03 2hgj s VAL 39 CO -0.00 -1.20 0.99 -0.62 0.00 0.00 0.00 175.10 174.26 2hgj s ASP 40 N 7.20 6.38 0.00 3.32 -1.08 -1.26 -0.67 116.67 130.57 2hgj s ASP 40 Ca 0.64 -0.20 0.00 0.00 -0.52 0.00 0.00 52.55 52.47 2hgj s ASP 40 Cb -0.05 -2.46 0.00 0.00 -1.46 0.00 0.00 42.92 38.95 2hgj s ASP 40 CO -0.03 -1.25 0.00 0.18 0.52 0.00 0.00 175.17 174.60 2hgj n LEU 41 N 7.60 0.00 0.00 -1.34 4.77 -0.91 -1.35 117.00 125.76 2hgj n LEU 41 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 2hgj n LEU 41 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2hgj n LEU 41 CO 0.65 0.00 0.00 0.52 -1.33 0.00 0.00 177.39 177.23 2hgj n VAL 42 N 0.00 0.00 -0.02 4.08 0.31 -1.26 0.28 118.33 121.72 2hgj n VAL 42 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 2hgj n VAL 42 Cb 0.00 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.85 2hgj n VAL 42 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2hgj h GLU 43 N 0.00 0.11 -0.49 5.55 3.07 -1.98 -1.17 114.58 119.67 2hgj h GLU 43 Ca 0.00 -0.04 0.06 0.00 -0.50 0.00 0.00 59.36 58.88 2hgj h GLU 43 Cb 0.00 -0.01 -0.07 0.00 -0.84 0.00 0.00 28.75 27.84 2hgj h GLU 43 CO 0.00 0.43 -0.25 0.34 -1.40 0.00 0.00 179.01 178.13 2hgj n PHE 44 N -4.84 -0.12 0.00 4.33 7.35 0.80 0.16 117.46 125.14 2hgj n PHE 44 Ca -0.07 0.61 0.00 0.00 -0.76 0.00 0.00 57.45 57.23 2hgj n PHE 44 Cb 0.21 -0.60 0.00 0.00 0.35 0.00 0.00 39.48 39.45 2hgj n PHE 44 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 2hgj n ASP 45 N -4.65 0.00 0.00 -2.13 8.00 0.01 -1.08 116.55 116.70 2hgj n ASP 45 Ca 0.03 0.85 0.00 0.00 0.71 0.00 0.00 54.79 56.38 2hgj n ASP 45 Cb 0.15 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.90 2hgj n ASP 45 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2hgj n LYS 46 N -1.63 0.00 0.28 -1.24 5.02 0.43 0.14 118.16 121.16 2hgj n LYS 46 Ca 0.00 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.13 2hgj n LYS 46 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 34.92 2hgj n LYS 46 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2hgj h VAL 47 N 0.00 0.00 -0.37 -0.18 2.07 -0.97 -0.87 116.25 115.92 2hgj h VAL 47 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 2hgj h VAL 47 Cb 0.00 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.73 2hgj h VAL 47 CO 0.00 0.00 -0.22 0.49 0.02 0.00 0.00 177.57 177.86 2hgj n PHE 48 N -5.13 -0.16 -0.28 1.57 0.99 0.38 0.25 117.46 115.09 2hgj n PHE 48 Ca -0.11 0.47 0.02 0.00 -0.00 0.00 0.00 57.45 57.83 2hgj n PHE 48 Cb 0.41 -0.46 0.07 0.00 -1.00 0.00 0.00 39.48 38.51 2hgj n PHE 48 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 2hgj n ARG 49 N -3.98 -0.12 -0.15 -1.08 3.00 0.50 0.25 116.66 115.08 2hgj n ARG 49 Ca 0.01 1.17 0.14 0.00 -0.01 0.00 0.00 57.85 59.16 2hgj n ARG 49 Cb 0.10 -1.74 0.26 0.00 0.00 0.00 0.00 32.46 31.07 2hgj n ARG 49 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 2hgj n GLN 50 N -5.18 -0.03 0.00 5.56 -0.06 0.71 -4.56 117.38 113.83 2hgj n GLN 50 Ca 0.10 0.64 0.00 0.00 -2.00 0.00 0.00 57.00 55.74 2hgj n GLN 50 Cb 0.34 -1.14 0.00 0.00 -4.06 0.00 0.00 30.24 25.38 2hgj n GLN 50 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2hgj n ALA 51 N -2.73 0.00 0.11 1.69 0.00 0.70 -3.93 120.51 116.35 2hgj n ALA 51 Ca 0.17 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.79 2hgj n ALA 51 Cb 0.58 0.00 0.61 0.00 0.00 0.00 0.00 19.45 20.63 2hgj n ALA 51 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2hgj h SER 52 N 0.00 0.00 -3.88 0.00 0.02 -1.83 1.43 113.55 109.29 2hgj h SER 52 Ca 0.00 0.00 -0.74 0.00 -0.84 0.00 0.00 61.79 60.21 2hgj h SER 52 Cb 0.00 0.00 -0.32 0.00 0.14 0.00 0.00 62.40 62.22 2hgj h SER 52 CO 0.00 0.00 -0.10 -0.63 -1.14 0.00 0.00 176.83 174.96 2hgj s ILE 53 N -4.37 4.65 0.00 3.27 1.01 -1.25 -0.89 121.20 123.62 2hgj s ILE 53 Ca -0.03 -2.99 0.00 0.00 0.00 0.00 0.00 60.65 57.63 2hgj s ILE 53 Cb 0.12 -3.92 0.00 0.00 0.01 0.00 0.00 42.46 38.67 2hgj s ILE 53 CO 0.39 -0.99 0.00 1.41 0.00 0.00 0.00 174.94 175.75 2hgj n HIS 54 N 3.38 0.00 -0.06 3.97 8.25 0.48 -4.46 115.22 126.78 2hgj n HIS 54 Ca 0.13 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.50 2hgj n HIS 54 Cb 0.41 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.49 2hgj n HIS 54 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2hgj n HIS 55 N 0.00 0.00 -3.05 4.41 8.25 -0.60 -4.48 115.22 119.75 2hgj n HIS 55 Ca 0.00 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.02 2hgj n HIS 55 Cb 0.00 -0.44 0.01 0.00 1.12 0.00 0.00 29.99 30.68 2hgj n HIS 55 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2hgj n VAL 56 N -4.15 5.03 0.00 1.59 0.31 -0.06 -4.74 118.33 116.30 2hgj n VAL 56 Ca -0.16 -5.64 0.00 0.00 -0.01 0.00 0.00 64.34 58.53 2hgj n VAL 56 Cb 0.46 -2.25 0.00 0.00 -0.91 0.00 0.00 33.84 31.14 2hgj n VAL 56 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2hgj n ILE 57 N 1.95 0.00 -3.85 2.52 5.41 -1.26 -4.57 119.36 119.57 2hgj n ILE 57 Ca 0.27 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.98 2hgj n ILE 57 Cb 0.35 0.00 0.01 0.00 -0.71 0.00 0.00 39.64 39.30 2hgj n ILE 57 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 2hgj s VAL 58 N 0.00 0.00 -0.21 1.39 -7.23 -0.44 -4.83 120.40 109.07 2hgj s VAL 58 Ca 0.00 -0.66 -0.26 0.00 -1.81 0.00 0.00 61.98 59.25 2hgj s VAL 58 Cb 0.00 -2.71 -0.01 0.00 0.56 0.00 0.00 36.38 34.23 2hgj s VAL 58 CO 0.00 0.00 0.87 -0.22 -0.31 0.00 0.00 175.10 175.44 2hgj s LEU 59 N -3.27 4.12 -0.13 1.32 0.20 -1.26 -1.27 118.68 118.39 2hgj s LEU 59 Ca 0.19 1.16 -0.02 0.00 0.69 0.00 0.00 54.13 56.15 2hgj s LEU 59 Cb -0.03 -3.28 -0.02 0.00 -0.43 0.00 0.00 46.19 42.43 2hgj s LEU 59 CO 0.06 -0.50 -0.08 -1.83 -0.29 0.00 0.00 176.35 173.71 2hgj s GLU 60 N 2.66 3.42 -0.29 1.98 4.04 -0.15 -0.54 118.70 129.82 2hgj s GLU 60 Ca 0.38 -0.58 -0.15 0.00 0.04 0.00 0.00 54.97 54.65 2hgj s GLU 60 Cb -0.16 -2.76 -0.03 0.00 0.02 0.00 0.00 34.13 31.20 2hgj s GLU 60 CO 0.09 0.30 0.39 -0.51 -1.84 0.00 0.00 175.26 173.69 2hgj s LEU 61 N 0.16 4.16 -0.12 1.83 1.43 -0.13 -1.30 118.68 124.71 2hgj s LEU 61 Ca -0.04 0.15 -0.02 0.00 -1.03 0.00 0.00 54.13 53.19 2hgj s LEU 61 Cb -0.14 -2.43 0.04 0.00 0.03 0.00 0.00 46.19 43.69 2hgj s LEU 61 CO 0.04 -0.25 0.03 -2.16 0.23 0.00 0.00 176.35 174.24 2hgj s PRO 62 N 2.11 0.44 -0.34 1.29 0.05 -1.26 -0.87 135.00 136.42 2hgj s PRO 62 Ca 0.15 -0.04 0.00 0.00 0.05 0.00 0.00 61.00 61.16 2hgj s PRO 62 Cb -0.16 -1.39 0.00 0.00 0.05 0.00 0.00 34.50 33.00 2hgj s PRO 62 CO 0.11 -0.47 0.00 -3.47 0.05 0.00 0.00 177.00 173.22 2hgj n ASP 63 N 5.16 -3.74 0.00 6.66 -0.08 -1.26 -0.90 116.55 122.38 2hgj n ASP 63 Ca -0.07 0.08 0.00 0.00 -1.51 0.00 0.00 54.79 53.29 2hgj n ASP 63 Cb 0.49 -2.62 0.00 0.00 2.34 0.00 0.00 41.12 41.33 2hgj n ASP 63 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2hgj n GLY 64 N 0.42 0.12 2.30 0.27 0.00 -1.26 -4.98 105.19 102.06 2hgj n GLY 64 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 2hgj n GLY 64 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2hgj n GLN 65 N -1.87 3.61 -1.45 1.61 1.13 -0.08 -4.94 117.38 115.40 2hgj n GLN 65 Ca 0.00 -2.25 -0.45 0.00 -1.94 0.00 0.00 57.00 52.36 2hgj n GLN 65 Cb 0.00 -2.67 -0.14 0.00 0.11 0.00 0.00 30.24 27.55 2hgj n GLN 65 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2hgj n SER 66 N 3.11 0.53 -4.39 1.08 2.88 -1.26 -4.53 113.62 111.04 2hgj n SER 66 Ca 0.72 0.27 -0.20 0.00 -1.33 0.00 0.00 58.87 58.33 2hgj n SER 66 Cb 0.32 -0.95 -0.10 0.00 -0.75 0.00 0.00 64.21 62.72 2hgj n SER 66 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2hgj s LEU 67 N 8.44 2.23 -0.27 2.46 1.43 -0.42 -4.92 118.68 127.63 2hgj s LEU 67 Ca 1.30 -1.28 -0.17 0.00 -1.03 0.00 0.00 54.13 52.95 2hgj s LEU 67 Cb -1.25 -0.38 -0.03 0.00 0.03 0.00 0.00 46.19 44.56 2hgj s LEU 67 CO 0.52 -0.52 0.48 -2.16 0.23 0.00 0.00 176.35 174.89 2hgj s PRO 68 N -3.85 4.04 0.04 1.29 0.04 -1.26 -0.97 135.00 134.33 2hgj s PRO 68 Ca 0.32 0.23 0.00 0.00 0.04 0.00 0.00 61.00 61.59 2hgj s PRO 68 Cb 0.06 -3.66 -0.03 0.00 0.04 0.00 0.00 34.50 30.92 2hgj s PRO 68 CO 0.12 -0.34 -0.04 -0.08 0.04 0.00 0.00 177.00 176.70 2hgj s THR 69 N 2.25 0.29 0.21 1.26 -1.32 -0.39 -1.11 115.64 116.82 2hgj s THR 69 Ca 0.19 -1.33 0.01 0.00 -1.21 0.00 0.00 61.69 59.35 2hgj s THR 69 Cb -0.16 -0.87 -0.05 0.00 -1.51 0.00 0.00 72.50 69.91 2hgj s THR 69 CO 0.09 -0.67 0.06 -1.48 -2.21 0.00 0.00 174.62 170.41 2hgj s LEU 70 N -2.11 1.81 0.06 9.08 -0.00 -0.37 -1.33 118.68 125.82 2hgj s LEU 70 Ca -0.05 -1.28 -0.29 0.00 -0.00 0.00 0.00 54.13 52.51 2hgj s LEU 70 Cb -0.03 0.04 -0.05 0.00 -0.00 0.00 0.00 46.19 46.15 2hgj s LEU 70 CO -0.04 -0.67 0.92 0.68 -0.00 0.00 0.00 176.35 177.24 2hgj s VAL 71 N -3.77 4.66 0.00 1.48 -7.23 -1.26 -0.97 120.40 113.31 2hgj s VAL 71 Ca 0.31 1.96 0.00 0.00 -1.81 0.00 0.00 61.98 62.44 2hgj s VAL 71 Cb 0.07 -4.27 0.00 0.00 0.56 0.00 0.00 36.38 32.74 2hgj s VAL 71 CO 0.08 0.28 0.00 -2.11 -0.31 0.00 0.00 175.10 173.05 2hgj n ARG 72 N 3.11 1.42 -3.55 4.82 1.85 -0.45 -4.88 116.66 118.98 2hgj n ARG 72 Ca 0.02 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.75 2hgj n ARG 72 Cb 0.50 -0.90 -0.05 0.00 -1.05 0.00 0.00 32.46 30.96 2hgj n ARG 72 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 2hgj s GLN 73 N -1.63 0.75 -0.07 2.89 -0.21 -1.08 -5.06 119.66 115.25 2hgj s GLN 73 Ca 0.00 0.13 -0.30 0.00 0.02 0.00 0.00 55.36 55.22 2hgj s GLN 73 Cb 0.00 0.35 0.11 0.00 1.00 0.00 0.00 33.01 34.47 2hgj s GLN 73 CO 0.00 -0.24 0.92 0.08 -2.12 0.00 0.00 175.29 173.92 2hgj s VAL 74 N -1.32 0.00 -0.34 1.09 1.01 -1.26 -0.67 120.40 118.90 2hgj s VAL 74 Ca -0.04 0.00 0.01 0.00 0.00 0.00 0.00 61.98 61.95 2hgj s VAL 74 Cb -0.00 -1.00 0.09 0.00 0.00 0.00 0.00 36.38 35.47 2hgj s VAL 74 CO 0.03 0.00 0.07 0.20 0.00 0.00 0.00 175.10 175.40 2hgj s ASN 75 N -1.84 4.89 -0.13 3.32 0.01 0.49 -4.96 114.94 116.72 2hgj s ASN 75 Ca 0.01 -1.89 -0.10 0.00 -0.71 0.00 0.00 52.86 50.17 2hgj s ASN 75 Cb -0.01 -1.69 -0.05 0.00 0.41 0.00 0.00 41.25 39.92 2hgj s ASN 75 CO -0.03 -0.39 0.20 -0.76 -1.51 0.00 0.00 177.10 174.61 2hgj s LEU 76 N 1.05 4.33 -0.95 0.60 1.43 -1.25 0.43 118.68 124.32 2hgj s LEU 76 Ca 0.05 0.48 -0.24 0.00 -1.03 0.00 0.00 54.13 53.39 2hgj s LEU 76 Cb -0.20 -2.19 0.04 0.00 0.03 0.00 0.00 46.19 43.87 2hgj s LEU 76 CO -0.05 0.29 1.43 -0.62 0.23 0.00 0.00 176.35 177.62 2hgj s ASP 77 N -0.42 6.38 0.00 2.29 2.15 0.36 -4.69 116.67 122.74 2hgj s ASP 77 Ca 0.15 -1.20 0.00 0.00 0.43 0.00 0.00 52.55 51.93 2hgj s ASP 77 Cb -0.12 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.93 2hgj s ASP 77 CO 0.04 -1.62 0.00 2.29 -0.17 0.00 0.00 175.17 175.70 2hgj n LYS 78 N 9.00 0.00 0.18 4.34 0.00 -1.26 0.13 118.16 130.54 2hgj n LYS 78 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.58 2hgj n LYS 78 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.53 2hgj n LYS 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2hgj n ARG 79 N -3.26 0.02 0.00 -1.58 5.12 -1.26 -2.01 116.66 113.69 2hgj n ARG 79 Ca 0.00 0.52 0.00 0.00 -1.93 0.00 0.00 57.85 56.44 2hgj n ARG 79 Cb 0.00 -2.26 0.00 0.00 -1.16 0.00 0.00 32.46 29.04 2hgj n ARG 79 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2hgj n ARG 80 N -1.81 0.00 0.00 5.56 3.00 -0.13 -5.14 116.66 118.15 2hgj n ARG 80 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 2hgj n ARG 80 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.22 2hgj n ARG 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2hgj n ARG 81 N 0.00 0.00 0.00 5.56 1.74 0.34 -5.01 116.66 119.30 2hgj n ARG 81 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2hgj n ARG 81 Cb 0.10 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.54 2hgj n ARG 81 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2hgj n ARG 82 N 0.00 0.00 -4.64 5.56 0.63 -1.26 -3.69 116.66 113.26 2hgj n ARG 82 Ca 0.00 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.64 2hgj n ARG 82 Cb 0.00 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 32.83 2hgj n ARG 82 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2hgj s PRO 83 N 0.00 2.04 -0.01 -0.14 0.04 -1.26 -0.49 135.00 135.18 2hgj s PRO 83 Ca 0.00 -2.26 0.09 0.00 0.04 0.00 0.00 61.00 58.87 2hgj s PRO 83 Cb 0.00 -1.15 -0.13 0.00 0.04 0.00 0.00 34.50 33.26 2hgj s PRO 83 CO 0.00 -0.36 0.22 0.39 0.04 0.00 0.00 177.00 177.29 2hgj n GLU 84 N -1.07 1.01 0.00 4.56 1.02 1.48 -4.40 120.64 123.24 2hgj n GLU 84 Ca -0.12 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 2hgj n GLU 84 Cb 0.66 -1.15 0.00 0.00 -0.02 0.00 0.00 31.44 30.93 2hgj n GLU 84 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2hgj n HIS 85 N -1.69 0.00 -3.92 -0.32 -0.00 -0.24 -4.62 115.22 104.43 2hgj n HIS 85 Ca -0.01 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.36 2hgj n HIS 85 Cb 0.21 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.10 2hgj n HIS 85 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 2hgj s VAL 86 N -0.14 4.75 -0.16 3.57 1.01 0.21 -0.38 120.40 129.28 2hgj s VAL 86 Ca 0.00 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 61.96 2hgj s VAL 86 Cb 0.00 -3.17 0.01 0.00 0.00 0.00 0.00 36.38 33.23 2hgj s VAL 86 CO 0.00 0.42 -0.21 -1.81 0.00 0.00 0.00 175.10 173.50 2hgj s ASP 87 N 0.74 3.11 0.24 3.32 1.01 0.15 -1.03 116.67 124.21 2hgj s ASP 87 Ca 0.04 -0.62 0.06 0.00 0.71 0.00 0.00 52.55 52.74 2hgj s ASP 87 Cb -0.13 -1.45 -0.05 0.00 1.01 0.00 0.00 42.92 42.29 2hgj s ASP 87 CO 0.02 0.05 -0.06 -0.36 0.21 0.00 0.00 175.17 175.02 2hgj s PHE 88 N 1.01 1.75 -0.09 4.23 2.99 -0.61 -1.35 117.98 125.91 2hgj s PHE 88 Ca -0.02 -0.74 0.03 0.00 0.00 0.00 0.00 56.93 56.20 2hgj s PHE 88 Cb -0.14 -0.96 0.01 0.00 0.00 0.00 0.00 43.02 41.92 2hgj s PHE 88 CO -0.06 0.19 -0.20 0.12 -0.00 0.00 0.00 175.22 175.26 2hgj s PHE 89 N -3.14 2.22 -0.16 0.36 5.99 -0.14 -1.08 117.98 122.01 2hgj s PHE 89 Ca 0.27 -0.92 -0.13 0.00 0.00 0.00 0.00 56.93 56.14 2hgj s PHE 89 Cb 0.03 -1.52 -0.05 0.00 0.00 0.00 0.00 43.02 41.49 2hgj s PHE 89 CO 0.09 -0.40 0.27 0.08 -0.00 0.00 0.00 175.22 175.26 2hgj s VAL 90 N 0.52 5.32 -0.17 3.12 1.01 -0.23 -1.24 120.40 128.73 2hgj s VAL 90 Ca -0.16 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.33 2hgj s VAL 90 Cb -0.17 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.60 2hgj s VAL 90 CO 0.06 0.40 -0.16 -0.76 0.00 0.00 0.00 175.10 174.64 2hgj s LEU 91 N 0.43 2.40 0.00 3.92 2.01 -0.27 -4.30 118.68 122.87 2hgj s LEU 91 Ca 0.16 -0.52 0.00 0.00 0.01 0.00 0.00 54.13 53.77 2hgj s LEU 91 Cb -0.13 -1.55 0.00 0.00 0.01 0.00 0.00 46.19 44.52 2hgj s LEU 91 CO 0.03 0.05 0.03 -1.54 1.01 0.00 0.00 176.35 175.93 2hgj n SER 92 N 4.29 0.00 -3.48 2.29 3.41 -1.26 -4.87 113.62 114.00 2hgj n SER 92 Ca -0.20 0.03 0.01 0.00 -0.26 0.00 0.00 58.87 58.45 2hgj n SER 92 Cb 0.51 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.42 2hgj n SER 92 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2hgj s ASP 93 N -1.91 -0.77 0.00 4.04 2.15 -1.26 -4.94 116.67 113.97 2hgj s ASP 93 Ca 0.00 1.05 0.00 0.00 0.43 0.00 0.00 52.55 54.03 2hgj s ASP 93 Cb 0.00 1.88 0.00 0.00 -0.30 0.00 0.00 42.92 44.50 2hgj s ASP 93 CO 0.00 -0.15 0.00 1.21 -0.17 0.00 0.00 175.17 176.06 2hgj n GLU 94 N 5.14 0.00 -0.35 4.34 4.07 -1.26 -5.04 120.64 127.55 2hgj n GLU 94 Ca -0.10 0.00 -0.11 0.00 -0.06 0.00 0.00 57.16 56.89 2hgj n GLU 94 Cb 0.51 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.86 2hgj n GLU 94 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 2hgj n PRO 95 N 0.00 0.00 -0.01 5.31 -0.02 -1.26 -4.50 135.00 134.51 2hgj n PRO 95 Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.46 2hgj n PRO 95 Cb 0.00 -0.36 -0.01 0.00 -0.02 0.00 0.00 33.50 33.10 2hgj n PRO 95 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2hgj n VAL 96 N 1.75 0.15 -1.64 -1.45 0.31 -1.26 -1.20 118.33 114.99 2hgj n VAL 96 Ca 0.15 -0.06 -0.42 0.00 -0.01 0.00 0.00 64.34 64.00 2hgj n VAL 96 Cb 0.00 -0.63 -0.01 0.00 -0.91 0.00 0.00 33.84 32.29 2hgj n VAL 96 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2hgj n GLU 97 N -2.60 2.52 -3.90 5.55 2.13 -1.26 -3.59 120.64 119.49 2hgj n GLU 97 Ca -0.05 -2.45 -0.35 0.00 0.66 0.00 0.00 57.16 54.97 2hgj n GLU 97 Cb 0.55 -3.22 -0.14 0.00 0.27 0.00 0.00 31.44 28.91 2hgj n GLU 97 CO 0.00 0.00 0.00 1.41 -0.41 0.00 0.00 177.13 178.13 2hgj s MET 98 N 3.75 2.75 -0.87 5.31 1.75 -0.38 -4.96 119.30 126.65 2hgj s MET 98 Ca 0.50 -1.05 0.00 0.00 -1.25 0.00 0.00 55.69 53.89 2hgj s MET 98 Cb 0.13 -3.13 0.27 0.00 2.84 0.00 0.00 34.83 34.94 2hgj s MET 98 CO -0.03 -0.49 1.07 0.98 -0.65 0.00 0.00 175.02 175.91 2hgj n TYR 99 N 4.70 3.16 -3.22 4.11 9.36 -1.17 -0.53 117.16 133.57 2hgj n TYR 99 Ca -0.15 -3.47 -0.27 0.00 3.32 0.00 0.00 57.90 57.33 2hgj n TYR 99 Cb 0.46 -0.96 -0.02 0.00 -0.63 0.00 0.00 39.34 38.19 2hgj n TYR 99 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 2hgj s VAL 100 N -2.44 5.02 -0.09 2.97 -7.23 0.12 -4.64 120.40 114.11 2hgj s VAL 100 Ca 0.34 -0.06 -0.39 0.00 -1.81 0.00 0.00 61.98 60.05 2hgj s VAL 100 Cb 0.07 -3.79 -0.18 0.00 0.56 0.00 0.00 36.38 33.04 2hgj s VAL 100 CO 0.02 -0.49 1.41 -2.65 -0.31 0.00 0.00 175.10 173.09 2hgj n PRO 101 N -1.42 0.77 -4.67 4.82 -0.02 -1.26 -1.20 135.00 132.02 2hgj n PRO 101 Ca -0.02 0.28 -0.33 0.00 -2.02 0.00 0.00 63.50 61.41 2hgj n PRO 101 Cb 0.55 -1.89 -0.16 0.00 -0.02 0.00 0.00 33.50 31.98 2hgj n PRO 101 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2hgj s LEU 102 N 1.44 2.25 0.14 2.45 2.01 0.14 -0.81 118.68 126.31 2hgj s LEU 102 Ca 0.92 -0.55 0.08 0.00 0.01 0.00 0.00 54.13 54.59 2hgj s LEU 102 Cb -1.11 -1.49 -0.04 0.00 0.01 0.00 0.00 46.19 43.56 2hgj s LEU 102 CO 0.58 0.09 -0.18 -0.13 1.01 0.00 0.00 176.35 177.72 2hgj s ARG 103 N 0.76 1.18 -0.05 1.70 1.81 -0.02 -4.49 118.95 119.84 2hgj s ARG 103 Ca -0.08 -1.30 -0.29 0.00 -1.72 0.00 0.00 55.73 52.34 2hgj s ARG 103 Cb -0.16 -1.25 0.09 0.00 -0.45 0.00 0.00 34.95 33.18 2hgj s ARG 103 CO -0.00 0.26 0.78 -0.59 -0.68 0.00 0.00 175.30 175.07 2hgj s PHE 104 N -1.82 -0.53 -0.23 -0.53 -0.00 -1.21 -1.03 117.98 112.63 2hgj s PHE 104 Ca 0.12 0.78 -0.07 0.00 -0.00 0.00 0.00 56.93 57.76 2hgj s PHE 104 Cb -0.07 0.46 -0.03 0.00 -0.00 0.00 0.00 43.02 43.38 2hgj s PHE 104 CO 0.05 -0.56 0.05 0.08 -0.00 0.00 0.00 175.22 174.84 2hgj s VAL 105 N -1.74 4.31 -0.38 -2.49 1.01 -0.31 -4.91 120.40 115.89 2hgj s VAL 105 Ca -0.05 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 2hgj s VAL 105 Cb -0.00 -2.99 0.02 0.00 0.00 0.00 0.00 36.38 33.41 2hgj s VAL 105 CO 0.02 0.37 2.84 0.61 0.00 0.00 0.00 175.10 178.95 2hgj n GLY 106 N 4.58 4.14 0.00 4.51 0.00 -1.26 -1.28 105.19 115.87 2hgj n GLY 106 Ca -0.16 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.12 2hgj n GLY 106 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2hgj n THR 107 N 1.07 0.00 0.00 2.61 -2.24 -1.26 -4.40 114.28 110.07 2hgj n THR 107 Ca 0.47 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.25 2hgj n THR 107 Cb 0.60 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 2hgj n THR 107 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 2hgj n PRO 108 N 0.00 0.00 0.00 -0.78 -0.02 -1.26 -3.94 135.00 128.99 2hgj n PRO 108 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2hgj n PRO 108 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 2hgj n PRO 108 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hgj n ALA 109 N 0.00 0.00 -2.19 3.55 0.00 -1.26 -4.88 120.51 115.74 2hgj n ALA 109 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hgj n ALA 109 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2hgj n ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hgj n GLY 110 N 0.00 0.88 0.00 0.00 0.00 -1.23 -4.04 105.19 100.80 2hgj n GLY 110 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2hgj n GLY 110 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2hgj n VAL 111 N 0.00 0.74 -1.88 1.61 0.31 0.92 0.36 118.33 120.39 2hgj n VAL 111 Ca 0.00 0.24 -0.10 0.00 -0.01 0.00 0.00 64.34 64.47 2hgj n VAL 111 Cb 0.00 -1.24 0.10 0.00 -0.91 0.00 0.00 33.84 31.79 2hgj n VAL 111 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2hgj n ARG 112 N -1.12 2.63 0.00 5.55 0.00 -1.26 -4.31 116.66 118.15 2hgj n ARG 112 Ca 0.00 -3.74 0.00 0.00 -0.00 0.00 0.00 57.85 54.11 2hgj n ARG 112 Cb 0.06 -1.93 0.00 0.00 0.00 0.00 0.00 32.46 30.58 2hgj n ARG 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2hgj n ALA 113 N -0.85 0.00 1.93 5.13 0.00 1.12 -4.56 120.51 123.27 2hgj n ALA 113 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.76 2hgj n ALA 113 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.30 2hgj n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hgj n GLY 114 N 0.00 -0.95 2.92 0.00 0.00 -0.62 -4.77 105.19 101.78 2hgj n GLY 114 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2hgj n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hgj n GLY 115 N 0.46 2.90 2.46 -0.02 0.00 -0.80 -4.63 105.19 105.57 2hgj n GLY 115 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2hgj n GLY 115 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2hgj n VAL 116 N -1.07 0.47 -4.17 1.61 0.31 -1.24 -3.52 118.33 110.72 2hgj n VAL 116 Ca 0.00 -0.12 -0.28 0.00 -0.01 0.00 0.00 64.34 63.93 2hgj n VAL 116 Cb 0.00 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.85 2hgj n VAL 116 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2hgj s LEU 117 N 0.71 3.37 -0.34 7.52 1.43 -0.34 0.31 118.68 131.34 2hgj s LEU 117 Ca 0.58 -0.29 -0.17 0.00 -1.03 0.00 0.00 54.13 53.22 2hgj s LEU 117 Cb -0.82 -2.07 -0.01 0.00 0.03 0.00 0.00 46.19 43.32 2hgj s LEU 117 CO 0.40 0.13 0.46 -1.10 0.23 0.00 0.00 176.35 176.47 2hgj s GLN 118 N -2.62 3.65 -0.18 1.70 1.11 -1.26 -1.24 119.66 120.82 2hgj s GLN 118 Ca 0.26 -0.20 -0.12 0.00 0.01 0.00 0.00 55.36 55.31 2hgj s GLN 118 Cb -0.10 -3.79 -0.05 0.00 -1.01 0.00 0.00 33.01 28.06 2hgj s GLN 118 CO 0.18 -0.57 0.22 -2.00 0.01 0.00 0.00 175.29 173.13 2hgj s GLU 119 N 2.26 4.23 -0.21 2.91 -6.30 -0.29 -4.97 118.70 116.33 2hgj s GLU 119 Ca 0.17 -0.04 -0.04 0.00 -2.50 0.00 0.00 54.97 52.55 2hgj s GLU 119 Cb -0.16 -3.42 -0.02 0.00 0.00 0.00 0.00 34.13 30.53 2hgj s GLU 119 CO 0.12 0.26 -0.02 0.42 0.02 0.00 0.00 175.26 176.07 2hgj s ILE 120 N 0.43 3.65 -0.16 -3.70 1.09 -1.26 -1.09 121.20 120.16 2hgj s ILE 120 Ca 0.13 -0.41 0.04 0.00 -1.10 0.00 0.00 60.65 59.31 2hgj s ILE 120 Cb -0.12 -2.66 -0.23 0.00 -1.06 0.00 0.00 42.46 38.40 2hgj s ILE 120 CO 0.01 0.42 0.19 1.57 -0.10 0.00 0.00 174.94 177.03 2hgj n HIS 121 N 4.59 0.61 -0.09 3.97 -0.00 0.17 -4.69 115.22 119.79 2hgj n HIS 121 Ca -0.18 0.16 -0.12 0.00 0.46 0.00 0.00 57.72 58.04 2hgj n HIS 121 Cb 0.51 -1.09 -0.05 0.00 -0.12 0.00 0.00 29.99 29.24 2hgj n HIS 121 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2hgj n ARG 122 N -3.20 0.51 0.00 1.57 5.12 -0.79 -4.85 116.66 115.02 2hgj n ARG 122 Ca -0.33 0.45 0.00 0.00 -1.93 0.00 0.00 57.85 56.04 2hgj n ARG 122 Cb 1.05 -1.64 0.00 0.00 -1.16 0.00 0.00 32.46 30.71 2hgj n ARG 122 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2hgj n ASP 123 N -4.51 0.00 -4.08 0.55 10.43 -1.26 -4.65 116.55 113.03 2hgj n ASP 123 Ca -0.19 0.00 -0.08 0.00 2.57 0.00 0.00 54.79 57.09 2hgj n ASP 123 Cb 0.47 -0.09 -0.10 0.00 1.84 0.00 0.00 41.12 43.25 2hgj n ASP 123 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 2hgj s ILE 124 N 0.00 0.18 -0.01 0.53 1.01 -1.26 -0.68 121.20 120.97 2hgj s ILE 124 Ca 0.00 -1.76 0.02 0.00 0.00 0.00 0.00 60.65 58.92 2hgj s ILE 124 Cb 0.00 -1.63 -0.00 0.00 0.01 0.00 0.00 42.46 40.84 2hgj s ILE 124 CO 0.00 -0.83 -0.08 -0.76 0.00 0.00 0.00 174.94 173.27 2hgj s LEU 125 N -2.94 1.95 -0.52 2.97 1.43 -0.34 -4.85 118.68 116.37 2hgj s LEU 125 Ca 0.11 -0.15 -0.03 0.00 -1.03 0.00 0.00 54.13 53.03 2hgj s LEU 125 Cb 0.07 -0.44 0.14 0.00 0.03 0.00 0.00 46.19 45.99 2hgj s LEU 125 CO -0.07 0.09 0.33 -0.69 0.23 0.00 0.00 176.35 176.24 2hgj s VAL 126 N -0.08 3.52 0.00 -1.59 1.01 -0.96 -0.70 120.40 121.60 2hgj s VAL 126 Ca 0.02 -2.54 0.00 0.00 0.00 0.00 0.00 61.98 59.46 2hgj s VAL 126 Cb -0.04 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.99 2hgj s VAL 126 CO -0.00 -0.79 0.00 0.29 0.00 0.00 0.00 175.10 174.60 2hgj n LYS 127 N 4.00 0.39 -4.52 2.72 4.76 0.32 -3.23 118.16 122.59 2hgj n LYS 127 Ca 0.03 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.21 2hgj n LYS 127 Cb 0.39 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.48 2hgj n LYS 127 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2hgj s VAL 128 N -0.30 2.26 0.00 -0.18 1.01 -0.05 -1.24 120.40 121.90 2hgj s VAL 128 Ca 0.00 -2.15 0.00 0.00 0.00 0.00 0.00 61.98 59.83 2hgj s VAL 128 Cb 0.00 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.67 2hgj s VAL 128 CO 0.00 -0.17 0.00 -0.24 0.00 0.00 0.00 175.10 174.69 2hgj n SER 129 N -0.84 0.00 -1.08 3.32 2.88 -0.39 -4.26 113.62 113.24 2hgj n SER 129 Ca -0.05 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.34 2hgj n SER 129 Cb 0.64 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.07 2hgj n SER 129 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 2hgj n PRO 130 N 0.00 0.00 -3.49 -1.46 -0.02 -0.34 -1.35 135.00 128.34 2hgj n PRO 130 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.35 2hgj n PRO 130 Cb 0.00 -0.34 -0.01 0.00 -0.02 0.00 0.00 33.50 33.13 2hgj n PRO 130 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2hgj n ARG 131 N 0.94 -0.87 -2.95 -0.52 1.74 -1.26 -4.75 116.66 108.98 2hgj n ARG 131 Ca 0.07 -0.16 0.01 0.00 -0.77 0.00 0.00 57.85 57.00 2hgj n ARG 131 Cb -0.01 -0.65 0.00 0.00 -1.02 0.00 0.00 32.46 30.77 2hgj n ARG 131 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2hgj s ASN 132 N -4.01 -0.92 -0.29 0.55 0.01 -0.45 -5.07 114.94 104.75 2hgj s ASN 132 Ca 0.09 -0.55 -0.16 0.00 -0.71 0.00 0.00 52.86 51.52 2hgj s ASN 132 Cb -0.05 1.18 0.15 0.00 0.41 0.00 0.00 41.25 42.94 2hgj s ASN 132 CO 0.33 -0.09 0.98 0.27 -1.51 0.00 0.00 177.10 177.08 2hgj s ILE 133 N 1.77 -0.01 0.00 0.60 -5.25 -1.26 -4.80 121.20 112.25 2hgj s ILE 133 Ca 0.17 0.00 0.00 0.00 -0.99 0.00 0.00 60.65 59.83 2hgj s ILE 133 Cb 0.01 -1.00 0.00 0.00 2.95 0.00 0.00 42.46 44.42 2hgj s ILE 133 CO -0.11 0.00 0.00 -0.81 -1.79 0.00 0.00 174.94 172.23 2hgj n PRO 134 N 3.71 0.00 -0.14 0.37 -0.04 -1.26 -4.96 135.00 132.68 2hgj n PRO 134 Ca -0.18 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.29 2hgj n PRO 134 Cb 0.57 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.05 2hgj n PRO 134 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2hgj n GLU 135 N 0.00 0.79 -3.10 0.54 -0.58 -1.26 -4.83 120.64 112.20 2hgj n GLU 135 Ca 0.00 -1.11 -0.20 0.00 -0.42 0.00 0.00 57.16 55.43 2hgj n GLU 135 Cb 0.00 -0.74 -0.04 0.00 -0.57 0.00 0.00 31.44 30.09 2hgj n GLU 135 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2hgj n PHE 136 N -0.30 -1.27 -2.34 -0.32 3.01 -1.25 -4.63 117.46 110.37 2hgj n PHE 136 Ca 0.02 -3.02 -0.42 0.00 1.01 0.00 0.00 57.45 55.04 2hgj n PHE 136 Cb 0.52 0.24 -0.03 0.00 -0.01 0.00 0.00 39.48 40.20 2hgj n PHE 136 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 2hgj s ILE 137 N -0.52 3.78 0.04 4.37 1.01 0.01 -4.79 121.20 125.11 2hgj s ILE 137 Ca 0.34 1.28 -0.05 0.00 0.00 0.00 0.00 60.65 62.23 2hgj s ILE 137 Cb 0.16 -3.82 -0.02 0.00 0.01 0.00 0.00 42.46 38.79 2hgj s ILE 137 CO -0.15 0.10 0.07 -1.61 0.00 0.00 0.00 174.94 173.35 2hgj s GLU 138 N 1.03 0.59 0.20 2.79 2.02 -1.26 -0.84 118.70 123.23 2hgj s GLU 138 Ca 0.60 -0.84 -0.06 0.00 0.02 0.00 0.00 54.97 54.70 2hgj s GLU 138 Cb -0.32 0.23 0.02 0.00 0.10 0.00 0.00 34.13 34.16 2hgj s GLU 138 CO 0.30 -0.14 0.37 0.28 0.02 0.00 0.00 175.26 176.08 2hgj n VAL 139 N 0.66 0.00 -3.60 2.63 0.31 -0.20 -4.82 118.33 113.31 2hgj n VAL 139 Ca -0.18 -0.58 -0.03 0.00 -0.01 0.00 0.00 64.34 63.53 2hgj n VAL 139 Cb 0.59 0.51 -0.02 0.00 -0.91 0.00 0.00 33.84 34.01 2hgj n VAL 139 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2hgj s ASP 140 N -2.05 -0.11 -0.30 4.52 3.68 -1.26 -1.16 116.67 119.98 2hgj s ASP 140 Ca 0.09 -0.01 -0.15 0.00 2.13 0.00 0.00 52.55 54.61 2hgj s ASP 140 Cb -0.02 0.13 0.18 0.00 -1.45 0.00 0.00 42.92 41.75 2hgj s ASP 140 CO 0.07 -0.21 1.06 -0.69 0.13 0.00 0.00 175.17 175.53 2hgj s VAL 141 N -2.37 -0.37 0.40 1.11 1.01 -0.40 -4.91 120.40 114.86 2hgj s VAL 141 Ca 0.10 0.00 0.09 0.00 0.00 0.00 0.00 61.98 62.18 2hgj s VAL 141 Cb -0.00 -1.00 0.31 0.00 0.00 0.00 0.00 36.38 35.68 2hgj s VAL 141 CO -0.04 0.00 1.97 0.28 0.00 0.00 0.00 175.10 177.31 2hgj h SER 142 N 7.58 0.52 -1.68 3.32 0.02 -1.83 -3.34 113.55 118.14 2hgj h SER 142 Ca -0.15 0.01 -0.67 0.00 -0.84 0.00 0.00 61.79 60.14 2hgj h SER 142 Cb 1.14 -0.11 0.01 0.00 0.14 0.00 0.00 62.40 63.58 2hgj h SER 142 CO 0.03 0.33 1.11 0.61 -1.14 0.00 0.00 176.83 177.77 2hgj n GLY 143 N -1.48 1.06 2.75 -3.77 0.00 -1.26 -4.25 105.19 98.24 2hgj n GLY 143 Ca 0.10 0.90 -0.04 0.00 0.00 0.00 0.00 46.02 46.98 2hgj n GLY 143 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2hgj n LEU 144 N 7.03 0.66 0.00 0.99 4.77 -1.26 -4.94 117.00 124.25 2hgj n LEU 144 Ca 0.28 -3.29 0.00 0.00 -0.03 0.00 0.00 56.01 52.96 2hgj n LEU 144 Cb 0.23 0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 2hgj n LEU 144 CO 0.76 1.39 0.00 -0.62 -1.33 0.00 0.00 177.39 177.59 2hgj n GLU 145 N -0.61 0.00 0.00 3.23 1.02 -1.26 -3.55 120.64 119.47 2hgj n GLU 145 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 2hgj n GLU 145 Cb 0.82 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.24 2hgj n GLU 145 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2hgj n ILE 146 N -0.84 0.00 0.00 -3.67 5.41 -1.26 -2.32 119.36 116.68 2hgj n ILE 146 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2hgj n ILE 146 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 2hgj n ILE 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2hgj n GLY 147 N -0.00 0.75 2.94 7.39 0.00 -1.26 -5.07 105.19 109.93 2hgj n GLY 147 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2hgj n GLY 147 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2hgj n ASP 148 N 0.00 -1.03 -3.74 1.61 8.00 -0.98 -4.68 116.55 115.72 2hgj n ASP 148 Ca 0.00 0.98 -0.13 0.00 0.71 0.00 0.00 54.79 56.34 2hgj n ASP 148 Cb 0.00 -0.82 -0.10 0.00 -0.02 0.00 0.00 41.12 40.18 2hgj n ASP 148 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2hgj s SER 149 N -0.82 -0.37 -0.06 -2.24 0.01 -1.26 -1.05 113.70 107.90 2hgj s SER 149 Ca 0.56 0.67 0.05 0.00 1.31 0.00 0.00 55.95 58.54 2hgj s SER 149 Cb -0.82 0.70 -0.01 0.00 0.21 0.00 0.00 66.02 66.11 2hgj s SER 149 CO 0.48 -0.19 -0.23 -0.76 0.41 0.00 0.00 173.24 172.96 2hgj s LEU 150 N -0.05 2.21 0.39 2.44 1.43 -0.16 -4.99 118.68 119.95 2hgj s LEU 150 Ca -0.02 -0.46 0.08 0.00 -1.03 0.00 0.00 54.13 52.70 2hgj s LEU 150 Cb -0.03 -1.42 -0.06 0.00 0.03 0.00 0.00 46.19 44.71 2hgj s LEU 150 CO 0.01 0.25 0.07 -1.00 0.23 0.00 0.00 176.35 175.91 2hgj s HIS 151 N -0.18 2.55 -0.66 0.29 3.76 -1.26 0.64 115.29 120.43 2hgj s HIS 151 Ca -0.03 -0.58 0.04 0.00 -0.15 0.00 0.00 55.06 54.34 2hgj s HIS 151 Cb -0.14 -1.76 0.21 0.00 1.11 0.00 0.00 32.58 32.00 2hgj s HIS 151 CO 0.04 0.36 1.04 0.00 -0.85 0.00 0.00 174.74 175.33 2hgj n ALA 152 N -1.06 0.83 -1.00 -1.40 0.00 -1.23 -1.26 120.51 115.39 2hgj n ALA 152 Ca -0.03 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hgj n ALA 152 Cb 0.65 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.22 2hgj n ALA 152 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2hgj n SER 153 N -1.57 0.00 -0.13 0.00 3.41 -1.26 -3.77 113.62 110.30 2hgj n SER 153 Ca -0.00 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.70 2hgj n SER 153 Cb 0.11 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.23 2hgj n SER 153 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2hgj n ASP 154 N 0.00 0.06 0.00 4.04 8.00 -1.12 -4.22 116.55 123.30 2hgj n ASP 154 Ca 0.00 0.65 0.00 0.00 0.71 0.00 0.00 54.79 56.15 2hgj n ASP 154 Cb 0.00 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 40.82 2hgj n ASP 154 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2hgj n LEU 155 N -4.09 0.00 0.00 0.64 7.94 -0.39 -4.76 117.00 116.34 2hgj n LEU 155 Ca 0.12 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.02 2hgj n LEU 155 Cb 0.41 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.36 2hgj n LEU 155 CO -0.01 0.00 0.00 1.17 -1.11 0.00 0.00 177.39 177.44 2hgj n LYS 156 N 0.00 0.00 -2.31 1.96 3.00 -1.26 -4.84 118.16 114.71 2hgj n LYS 156 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 57.97 2hgj n LYS 156 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 34.99 2hgj n LYS 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2hgj s LEU 157 N 0.00 3.33 0.00 3.14 1.02 -1.26 -4.83 118.68 120.08 2hgj s LEU 157 Ca 0.00 -1.00 -0.14 0.00 0.02 0.00 0.00 54.13 53.01 2hgj s LEU 157 Cb 0.00 -2.56 0.22 0.00 0.02 0.00 0.00 46.19 43.86 2hgj s LEU 157 CO 0.00 -2.12 0.49 -0.81 0.02 0.00 0.00 176.35 173.93 2hgj n PRO 158 N 8.90 -3.14 0.00 1.29 -0.04 -1.26 -4.50 135.00 136.25 2hgj n PRO 158 Ca 0.35 -0.83 0.00 0.00 -0.04 0.00 0.00 63.50 62.98 2hgj n PRO 158 Cb 0.49 -1.16 0.00 0.00 -0.04 0.00 0.00 33.50 32.79 2hgj n PRO 158 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2hgj n PRO 159 N -3.67 0.00 -1.10 0.54 -0.02 -1.26 -1.52 135.00 127.97 2hgj n PRO 159 Ca 0.08 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.40 2hgj n PRO 159 Cb 0.34 0.00 -0.15 0.00 -0.02 0.00 0.00 33.50 33.68 2hgj n PRO 159 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hgj n GLY 160 N -0.00 3.28 1.34 -1.23 0.00 -1.26 -4.98 105.19 102.33 2hgj n GLY 160 Ca 0.00 -1.33 -0.17 0.00 0.00 0.00 0.00 46.02 44.52 2hgj n GLY 160 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2hgj n VAL 161 N 2.32 0.18 0.00 1.61 0.31 -0.58 -4.56 118.33 117.61 2hgj n VAL 161 Ca 0.46 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.59 2hgj n VAL 161 Cb 0.82 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.75 2hgj n VAL 161 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2hgj n GLU 162 N 0.56 0.00 -1.57 5.55 -0.58 -1.26 -4.79 120.64 118.56 2hgj n GLU 162 Ca 0.04 0.00 -0.45 0.00 -0.42 0.00 0.00 57.16 56.33 2hgj n GLU 162 Cb 0.17 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.00 2hgj n GLU 162 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2hgj n LEU 163 N 0.00 3.01 -0.84 -4.62 4.32 -1.26 -0.87 117.00 116.74 2hgj n LEU 163 Ca 0.00 0.33 0.08 0.00 -0.02 0.00 0.00 56.01 56.40 2hgj n LEU 163 Cb 0.00 -1.47 0.18 0.00 -1.62 0.00 0.00 43.42 40.52 2hgj n LEU 163 CO 0.00 -0.63 0.65 0.00 -1.22 0.00 0.00 177.39 176.19 2hgj n ALA 164 N 10.76 2.29 -2.01 -1.18 0.00 -1.25 -4.84 120.51 124.27 2hgj n ALA 164 Ca 0.32 -1.09 0.00 0.00 0.00 0.00 0.00 53.44 52.67 2hgj n ALA 164 Cb 0.38 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.24 2hgj n ALA 164 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2hgj n VAL 165 N 0.91 0.00 -4.41 0.00 0.31 -1.20 -4.81 118.33 109.13 2hgj n VAL 165 Ca 0.15 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.24 2hgj n VAL 165 Cb 0.47 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.30 2hgj n VAL 165 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2hgj s SER 166 N -0.31 3.20 0.00 4.52 0.15 -1.26 -5.03 113.70 114.96 2hgj s SER 166 Ca 0.00 -0.93 0.00 0.00 0.70 0.00 0.00 55.95 55.72 2hgj s SER 166 Cb 0.00 -0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.08 2hgj s SER 166 CO 0.00 0.03 0.59 -0.81 1.20 0.00 0.00 173.24 174.25 2hgj n PRO 167 N -0.06 0.35 0.00 5.44 -0.04 -1.26 -4.76 135.00 134.68 2hgj n PRO 167 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 2hgj n PRO 167 Cb 0.58 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 2hgj n PRO 167 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2hgj n GLU 168 N 1.48 0.00 0.00 0.54 2.13 -1.26 -4.70 120.64 118.83 2hgj n GLU 168 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2hgj n GLU 168 Cb 0.18 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.89 2hgj n GLU 168 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2hgj n GLU 169 N 0.00 0.00 0.00 5.31 2.13 -1.26 -3.54 120.64 123.28 2hgj n GLU 169 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2hgj n GLU 169 Cb 0.00 -0.39 0.00 0.00 0.27 0.00 0.00 31.44 31.32 2hgj n GLU 169 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 2hgj n THR 170 N -2.00 0.00 -0.13 6.31 -1.04 -1.26 -4.86 114.28 111.30 2hgj n THR 170 Ca 0.00 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.78 2hgj n THR 170 Cb 0.00 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.40 2hgj n THR 170 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2hgj n ILE 171 N 1.04 1.52 -3.55 12.58 0.13 2.81 -4.23 119.36 129.66 2hgj n ILE 171 Ca 0.00 -0.48 -0.00 0.00 -1.10 0.00 0.00 62.75 61.17 2hgj n ILE 171 Cb 0.00 -1.65 0.00 0.00 -0.84 0.00 0.00 39.64 37.16 2hgj n ILE 171 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2hgj n ALA 172 N -3.69 -0.06 -3.78 1.51 0.00 -0.46 -0.65 120.51 113.38 2hgj n ALA 172 Ca -0.49 -0.02 -0.03 0.00 0.00 0.00 0.00 53.44 52.90 2hgj n ALA 172 Cb 0.94 0.01 -0.01 0.00 0.00 0.00 0.00 19.45 20.39 2hgj n ALA 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hgj s ALA 173 N -1.02 -1.66 -0.42 0.00 0.00 -0.25 -0.99 121.76 117.43 2hgj s ALA 173 Ca 0.00 0.04 -0.18 0.00 0.00 0.00 0.00 51.96 51.82 2hgj s ALA 173 Cb -0.00 0.65 0.02 0.00 0.00 0.00 0.00 23.12 23.79 2hgj s ALA 173 CO 0.00 -1.05 0.48 0.14 0.00 0.00 0.00 175.76 175.34 2hgj s VAL 174 N -2.96 5.03 -0.16 0.00 -7.23 -0.21 -1.14 120.40 113.73 2hgj s VAL 174 Ca 0.15 -0.22 -0.08 0.00 -1.81 0.00 0.00 61.98 60.01 2hgj s VAL 174 Cb -0.01 -4.07 -0.04 0.00 0.56 0.00 0.00 36.38 32.81 2hgj s VAL 174 CO 0.03 -0.46 0.13 0.54 -0.31 0.00 0.00 175.10 175.03 2hgj s VAL 175 N 2.30 5.41 -0.39 1.32 0.11 -0.38 -4.55 120.40 124.22 2hgj s VAL 175 Ca 0.15 0.18 -0.29 0.00 -2.93 0.00 0.00 61.98 59.09 2hgj s VAL 175 Cb -0.16 -3.41 -0.00 0.00 -1.53 0.00 0.00 36.38 31.28 2hgj s VAL 175 CO 0.15 0.53 1.55 -2.16 -3.33 0.00 0.00 175.10 171.84 2hgj s PRO 176 N -0.32 3.47 0.40 1.54 0.04 -1.26 -1.20 135.00 137.66 2hgj s PRO 176 Ca 0.11 1.09 0.20 0.00 0.04 0.00 0.00 61.00 62.44 2hgj s PRO 176 Cb -0.12 -4.09 0.78 0.00 0.04 0.00 0.00 34.50 31.11 2hgj s PRO 176 CO 0.01 -1.69 1.78 -1.00 0.04 0.00 0.00 177.00 176.14 2hgj h PRO 177 N 11.53 0.00 -0.01 0.56 0.13 -1.87 -3.36 132.00 138.98 2hgj h PRO 177 Ca -0.30 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.62 2hgj h PRO 177 Cb 1.13 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.12 2hgj h PRO 177 CO 1.07 0.33 -0.47 0.39 -0.23 0.00 0.00 178.00 179.10 2hgj n GLU 178 N -3.56 0.74 -0.27 0.86 1.02 -1.26 -5.10 120.64 113.07 2hgj n GLU 178 Ca -0.00 -1.68 0.04 0.00 -0.02 0.00 0.00 57.16 55.49 2hgj n GLU 178 Cb 0.47 -1.40 -0.01 0.00 -0.02 0.00 0.00 31.44 30.47 2hgj n GLU 178 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2hgj n ASP 179 N 1.66 -3.24 0.00 1.62 4.64 -1.26 -4.93 116.55 115.05 2hgj n ASP 179 Ca 0.09 0.29 0.00 0.00 -1.38 0.00 0.00 54.79 53.79 2hgj n ASP 179 Cb 0.63 -0.81 0.00 0.00 -1.04 0.00 0.00 41.12 39.90 2hgj n ASP 179 CO 0.00 0.00 0.00 0.52 -0.82 0.00 0.00 177.20 176.90