#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ngf s HIS 0 N 0.00 2.88 0.26 -1.40 5.65 -1.26 -5.02 115.29 116.39 3ngf s HIS 0 Ca 0.00 1.09 0.11 0.00 0.25 0.00 0.00 55.06 56.52 3ngf s HIS 0 Cb 0.00 -3.88 -0.05 0.00 -1.18 0.00 0.00 32.58 27.47 3ngf s HIS 0 CO 0.00 -2.74 -0.19 -1.64 -0.65 0.00 0.00 174.74 169.51 3ngf s MET 1 N -1.08 1.60 0.61 2.88 1.00 -1.26 -5.02 119.30 118.03 3ngf s MET 1 Ca 0.56 -1.71 -0.17 0.00 0.00 0.00 0.00 55.69 54.37 3ngf s MET 1 Cb -0.44 -1.67 -0.03 0.00 0.00 0.00 0.00 34.83 32.70 3ngf s MET 1 CO 0.51 0.31 1.12 -2.14 0.00 0.00 0.00 175.02 174.82 3ngf s PRO 2 N -3.44 3.02 -0.16 2.03 0.02 -1.26 -5.02 135.00 130.18 3ngf s PRO 2 Ca 0.28 1.51 -0.05 0.00 0.02 0.00 0.00 61.00 62.76 3ngf s PRO 2 Cb -0.05 -1.97 -0.03 0.00 0.02 0.00 0.00 34.50 32.47 3ngf s PRO 2 CO 0.13 -1.09 -0.01 -0.98 -0.33 0.00 0.00 177.00 174.72 3ngf s ARG 3 N -3.72 3.75 -0.08 5.54 1.70 -1.26 -5.02 118.95 119.87 3ngf s ARG 3 Ca 0.70 -0.47 -0.02 0.00 -0.47 0.00 0.00 55.73 55.47 3ngf s ARG 3 Cb -0.22 -3.00 -0.03 0.00 -0.57 0.00 0.00 34.95 31.12 3ngf s ARG 3 CO 0.35 0.24 0.01 -0.06 -1.08 0.00 0.00 175.30 174.76 3ngf s PHE 4 N 0.38 3.16 -0.12 5.89 0.08 -1.26 -0.52 117.98 125.59 3ngf s PHE 4 Ca -0.02 0.19 0.00 0.00 0.12 0.00 0.00 56.93 57.22 3ngf s PHE 4 Cb -0.14 -1.78 -0.02 0.00 -0.57 0.00 0.00 43.02 40.52 3ngf s PHE 4 CO 0.02 0.47 -0.12 0.00 -0.10 0.00 0.00 175.22 175.50 3ngf s ALA 5 N -0.91 2.69 0.15 5.36 0.00 -0.20 -4.11 121.76 124.72 3ngf s ALA 5 Ca 0.14 -0.89 -0.30 0.00 0.00 0.00 0.00 51.96 50.91 3ngf s ALA 5 Cb -0.11 -1.22 -0.07 0.00 0.00 0.00 0.00 23.12 21.72 3ngf s ALA 5 CO 0.03 0.30 1.05 0.00 0.00 0.00 0.00 175.76 177.15 3ngf s ALA 6 N 0.14 3.33 -0.46 0.00 0.00 -0.68 -0.59 121.76 123.51 3ngf s ALA 6 Ca -0.06 0.73 -0.22 0.00 0.00 0.00 0.00 51.96 52.41 3ngf s ALA 6 Cb -0.15 -3.33 0.03 0.00 0.00 0.00 0.00 23.12 19.67 3ngf s ALA 6 CO 0.04 -0.15 0.74 1.21 0.00 0.00 0.00 175.76 177.61 3ngf s ASN 7 N -0.03 6.36 0.00 0.00 3.84 -1.22 -1.16 114.94 122.74 3ngf s ASN 7 Ca 0.49 -0.26 0.30 0.00 0.21 0.00 0.00 52.86 53.60 3ngf s ASN 7 Cb -0.27 -2.36 1.49 0.00 -0.55 0.00 0.00 41.25 39.55 3ngf s ASN 7 CO 0.33 -0.89 2.02 0.18 -2.79 0.00 0.00 177.10 175.94 3ngf n LEU 8 N 6.59 0.15 0.12 3.21 4.77 0.18 -0.32 117.00 131.70 3ngf n LEU 8 Ca 0.00 0.16 -0.24 0.00 -0.03 0.00 0.00 56.01 55.91 3ngf n LEU 8 Cb 0.48 -0.22 -0.15 0.00 -2.33 0.00 0.00 43.42 41.20 3ngf n LEU 8 CO 0.57 0.03 -0.15 0.28 -1.33 0.00 0.00 177.39 176.79 3ngf h SER 9 N 0.18 0.82 0.00 -1.43 0.02 -1.92 -3.41 113.55 107.81 3ngf h SER 9 Ca 0.00 -0.89 -0.21 0.00 -0.84 0.00 0.00 61.79 59.85 3ngf h SER 9 Cb 0.27 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.51 3ngf h SER 9 CO 0.00 1.65 -2.14 0.35 -1.14 0.00 0.00 176.83 175.55 3ngf n THR 10 N -3.79 0.79 -4.00 -2.27 -2.24 -1.10 -4.89 114.28 96.77 3ngf n THR 10 Ca -0.16 -0.66 -0.21 0.00 -2.27 0.00 0.00 64.05 60.75 3ngf n THR 10 Cb 1.04 -0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 68.94 3ngf n THR 10 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3ngf s MET 11 N -2.81 3.33 -1.74 -0.78 -1.94 0.57 -4.41 119.30 111.51 3ngf s MET 11 Ca -0.08 -0.82 0.00 0.00 -1.71 0.00 0.00 55.69 53.07 3ngf s MET 11 Cb 0.08 -2.82 0.00 0.00 2.01 0.00 0.00 34.83 34.10 3ngf s MET 11 CO 0.79 0.42 0.00 1.19 -0.01 0.00 0.00 175.02 177.41 3ngf n PHE 12 N -1.35 -0.81 1.21 -0.03 3.72 -1.26 -4.56 117.46 114.38 3ngf n PHE 12 Ca -0.09 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.41 3ngf n PHE 12 Cb 0.57 -3.59 0.57 0.00 -0.94 0.00 0.00 39.48 36.09 3ngf n PHE 12 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3ngf n ASN 13 N -1.74 0.00 0.30 4.37 5.03 -1.26 -2.42 115.26 119.54 3ngf n ASN 13 Ca -0.22 -0.62 0.19 0.00 0.87 0.00 0.00 54.58 54.80 3ngf n ASN 13 Cb 0.66 0.00 0.94 0.00 -1.02 0.00 0.00 39.78 40.36 3ngf n ASN 13 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 3ngf h GLU 14 N 0.00 0.00 -5.43 3.52 3.07 -1.97 -3.44 114.58 110.33 3ngf h GLU 14 Ca 0.00 0.00 -0.45 0.00 -0.50 0.00 0.00 59.36 58.41 3ngf h GLU 14 Cb 0.00 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 27.77 3ngf h GLU 14 CO 0.00 0.03 -0.70 0.14 -1.40 0.00 0.00 179.01 177.08 3ngf s VAL 15 N -4.04 1.55 0.87 3.13 -7.23 -1.01 -5.15 120.40 108.52 3ngf s VAL 15 Ca -0.03 -2.14 -0.11 0.00 -1.81 0.00 0.00 61.98 57.90 3ngf s VAL 15 Cb 0.12 -2.23 0.12 0.00 0.56 0.00 0.00 36.38 34.94 3ngf s VAL 15 CO 0.50 -0.45 1.11 -2.84 -0.31 0.00 0.00 175.10 173.11 3ngf s PRO 16 N -3.72 1.41 0.19 4.82 0.02 -1.26 -4.82 135.00 131.64 3ngf s PRO 16 Ca 0.26 1.29 -0.17 0.00 0.02 0.00 0.00 61.00 62.39 3ngf s PRO 16 Cb 0.02 -1.79 0.16 0.00 0.02 0.00 0.00 34.50 32.91 3ngf s PRO 16 CO 0.09 -2.27 1.62 0.35 -0.33 0.00 0.00 177.00 176.45 3ngf h PHE 17 N -1.60 -0.54 0.00 6.54 3.57 -1.92 -1.80 116.94 121.19 3ngf h PHE 17 Ca -0.45 0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.07 3ngf h PHE 17 Cb 1.26 0.32 -0.01 0.00 2.79 0.00 0.00 35.95 40.31 3ngf h PHE 17 CO 0.51 -0.30 -0.18 -0.07 -2.23 0.00 0.00 178.31 176.04 3ngf h LEU 18 N -0.09 0.00 -0.24 0.59 3.38 -1.98 -0.83 115.31 116.13 3ngf h LEU 18 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3ngf h LEU 18 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3ngf h LEU 18 CO -0.59 0.18 0.00 1.21 0.09 0.00 0.00 178.44 179.33 3ngf n GLU 19 N -3.73 0.23 0.23 1.13 2.13 -0.68 -3.71 120.64 116.24 3ngf n GLU 19 Ca -0.02 0.28 0.11 0.00 0.66 0.00 0.00 57.16 58.20 3ngf n GLU 19 Cb 0.29 -1.82 0.46 0.00 0.27 0.00 0.00 31.44 30.64 3ngf n GLU 19 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3ngf h ARG 20 N 0.00 0.00 0.05 5.31 3.08 -1.13 -3.02 114.38 118.67 3ngf h ARG 20 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 3ngf h ARG 20 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.65 3ngf h ARG 20 CO 0.00 0.17 -0.02 0.74 -1.07 0.00 0.00 179.97 179.78 3ngf h PHE 21 N 0.00 -0.06 -0.29 3.04 0.04 -1.71 -0.78 116.94 117.18 3ngf h PHE 21 Ca -0.00 -0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.80 3ngf h PHE 21 Cb 0.75 0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.89 3ngf h PHE 21 CO 0.00 0.13 0.08 -0.09 -0.60 0.00 0.00 178.31 177.83 3ngf h ARG 22 N -0.24 0.20 -0.96 1.51 2.43 -1.78 -1.85 114.38 113.68 3ngf h ARG 22 Ca -0.01 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3ngf h ARG 22 Cb 0.21 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.67 3ngf h ARG 22 CO 0.01 0.13 0.61 -0.07 -1.51 0.00 0.00 179.97 179.15 3ngf h LEU 23 N 0.20 1.12 -0.41 3.80 3.38 -1.40 0.60 115.31 122.60 3ngf h LEU 23 Ca 0.13 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 3ngf h LEU 23 Cb 0.12 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3ngf h LEU 23 CO -0.15 0.83 0.12 0.00 0.09 0.00 0.00 178.44 179.33 3ngf h ALA 24 N 1.37 0.54 -0.49 1.53 0.00 -0.83 -1.35 119.26 120.03 3ngf h ALA 24 Ca 0.35 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 3ngf h ALA 24 Cb -0.12 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3ngf h ALA 24 CO -0.07 0.20 0.06 0.00 0.00 0.00 0.00 179.25 179.44 3ngf h ALA 25 N 0.97 0.65 0.00 0.00 0.00 -0.88 -1.89 119.26 118.12 3ngf h ALA 25 Ca 0.13 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3ngf h ALA 25 Cb 0.28 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3ngf h ALA 25 CO -0.00 0.41 -0.27 0.93 0.00 0.00 0.00 179.25 180.32 3ngf h GLU 26 N 0.70 0.00 0.00 0.00 5.08 -0.76 -1.25 114.58 118.34 3ngf h GLU 26 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3ngf h GLU 26 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3ngf h GLU 26 CO 0.01 0.27 0.00 0.00 -1.00 0.00 0.00 179.01 178.29 3ngf n ALA 27 N -2.37 2.36 -0.22 3.43 0.00 -0.52 -4.92 120.51 118.27 3ngf n ALA 27 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3ngf n ALA 27 Cb 0.36 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.37 3ngf n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ngf n GLY 28 N 0.92 0.89 3.74 0.00 0.00 -0.47 -4.85 105.19 105.41 3ngf n GLY 28 Ca 0.14 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3ngf n GLY 28 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ngf s PHE 29 N -2.00 3.77 -1.23 1.61 0.08 -0.74 -1.05 117.98 118.43 3ngf s PHE 29 Ca 0.00 1.77 0.19 0.00 0.12 0.00 0.00 56.93 59.01 3ngf s PHE 29 Cb 0.00 -3.13 -0.14 0.00 -0.57 0.00 0.00 43.02 39.19 3ngf s PHE 29 CO 0.00 -0.05 0.88 0.41 -0.10 0.00 0.00 175.22 176.36 3ngf n GLY 30 N 1.83 -0.52 3.07 4.36 0.00 -1.25 -4.25 105.19 108.42 3ngf n GLY 30 Ca 0.01 -0.56 -0.11 0.00 0.00 0.00 0.00 46.02 45.36 3ngf n GLY 30 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ngf s GLY 31 N -2.62 0.50 0.08 -0.02 0.00 -1.26 -0.96 107.32 103.04 3ngf s GLY 31 Ca 0.10 -0.91 0.01 0.00 0.00 0.00 0.00 44.72 43.93 3ngf s GLY 31 CO 0.69 -0.99 -0.06 -1.34 0.00 0.00 0.00 173.10 171.40 3ngf s VAL 32 N -2.24 0.60 0.12 1.40 -7.23 -0.07 -1.68 120.40 111.30 3ngf s VAL 32 Ca -0.04 -1.80 -0.01 0.00 -1.81 0.00 0.00 61.98 58.32 3ngf s VAL 32 Cb -0.04 -1.51 -0.04 0.00 0.56 0.00 0.00 36.38 35.34 3ngf s VAL 32 CO -0.02 -0.83 0.03 -1.83 -0.31 0.00 0.00 175.10 172.13 3ngf s GLU 33 N -3.54 0.88 0.23 4.82 -1.05 -0.31 -1.11 118.70 118.61 3ngf s GLU 33 Ca 0.08 -1.40 -0.22 0.00 -0.15 0.00 0.00 54.97 53.28 3ngf s GLU 33 Cb 0.04 0.15 0.05 0.00 -0.44 0.00 0.00 34.13 33.93 3ngf s GLU 33 CO -0.05 -0.20 0.86 -0.59 0.95 0.00 0.00 175.26 176.23 3ngf s PHE 34 N -3.95 -0.10 -0.05 4.83 -0.12 -1.21 -0.64 117.98 116.74 3ngf s PHE 34 Ca 0.20 -0.31 -0.07 0.00 -0.05 0.00 0.00 56.93 56.70 3ngf s PHE 34 Cb 0.07 0.69 -0.04 0.00 -0.63 0.00 0.00 43.02 43.12 3ngf s PHE 34 CO -0.01 -1.07 0.34 -0.07 -0.05 0.00 0.00 175.22 174.36 3ngf h LEU 35 N 2.00 -0.20 -7.64 -1.99 4.07 -1.96 -3.36 115.31 106.23 3ngf h LEU 35 Ca -0.23 0.01 -0.48 0.00 0.08 0.00 0.00 57.88 57.25 3ngf h LEU 35 Cb 1.24 0.05 -0.37 0.00 1.08 0.00 0.00 40.66 42.66 3ngf h LEU 35 CO 0.27 0.13 -0.79 -0.36 -1.08 0.00 0.00 178.44 176.62 3ngf s PHE 36 N -2.31 1.10 -2.44 1.13 0.08 -1.26 -0.37 117.98 113.90 3ngf s PHE 36 Ca -0.04 -0.46 0.28 0.00 0.12 0.00 0.00 56.93 56.83 3ngf s PHE 36 Cb 0.00 -1.01 0.98 0.00 -0.57 0.00 0.00 43.02 42.43 3ngf s PHE 36 CO 0.11 -0.40 1.71 -0.35 -0.10 0.00 0.00 175.22 176.18 3ngf n PRO 37 N 4.86 1.61 0.15 0.24 -0.04 -1.26 -4.65 135.00 135.91 3ngf n PRO 37 Ca -0.12 -0.96 0.13 0.00 -0.04 0.00 0.00 63.50 62.51 3ngf n PRO 37 Cb 0.50 -1.48 0.50 0.00 -0.04 0.00 0.00 33.50 32.98 3ngf n PRO 37 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3ngf h TYR 38 N 2.33 0.00 -0.26 0.54 0.05 -1.95 -1.73 116.97 115.95 3ngf h TYR 38 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3ngf h TYR 38 Cb 0.52 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.26 3ngf h TYR 38 CO 0.00 0.00 0.00 -0.25 -1.05 0.00 0.00 178.16 176.86 3ngf n ASP 39 N -2.40 1.57 -4.16 3.88 8.00 -1.26 -4.86 116.55 117.32 3ngf n ASP 39 Ca 0.02 -1.90 -0.18 0.00 0.71 0.00 0.00 54.79 53.44 3ngf n ASP 39 Cb 0.28 -0.17 -0.12 0.00 -0.02 0.00 0.00 41.12 41.09 3ngf n ASP 39 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3ngf s PHE 40 N -1.66 1.15 0.10 1.24 0.40 -0.65 -5.12 117.98 113.44 3ngf s PHE 40 Ca 0.24 -0.47 -0.31 0.00 -0.60 0.00 0.00 56.93 55.79 3ngf s PHE 40 Cb 0.12 -0.65 -0.09 0.00 0.51 0.00 0.00 43.02 42.91 3ngf s PHE 40 CO 0.17 0.04 1.75 0.34 0.70 0.00 0.00 175.22 178.22 3ngf s ASP 41 N -1.75 6.50 0.28 1.36 2.15 -1.26 -4.92 116.67 119.03 3ngf s ASP 41 Ca -0.03 2.64 0.02 0.00 0.43 0.00 0.00 52.55 55.62 3ngf s ASP 41 Cb -0.10 -2.57 0.64 0.00 -0.30 0.00 0.00 42.92 40.60 3ngf s ASP 41 CO 0.02 -0.95 1.76 0.00 -0.17 0.00 0.00 175.17 175.83 3ngf h ALA 42 N 8.44 1.47 -0.75 3.66 0.00 -1.97 -1.60 119.26 128.52 3ngf h ALA 42 Ca -0.44 0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.61 3ngf h ALA 42 Cb 1.21 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 3ngf h ALA 42 CO 0.94 -0.09 0.49 -0.44 0.00 0.00 0.00 179.25 180.15 3ngf h ASP 43 N 0.67 0.73 -0.09 0.00 5.19 -1.94 0.53 116.42 121.50 3ngf h ASP 43 Ca 0.52 -0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.88 3ngf h ASP 43 Cb 0.80 -0.16 -0.00 0.00 0.18 0.00 0.00 39.33 40.15 3ngf h ASP 43 CO -0.39 0.48 -0.15 0.58 -3.12 0.00 0.00 179.24 176.65 3ngf h VAL 44 N 0.84 1.39 -0.82 -1.35 2.07 -1.69 -1.66 116.25 115.02 3ngf h VAL 44 Ca 0.31 -1.40 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 3ngf h VAL 44 Cb 0.17 2.10 -0.04 0.00 -1.52 0.00 0.00 31.29 32.00 3ngf h VAL 44 CO -0.10 0.40 0.46 0.40 0.02 0.00 0.00 177.57 178.75 3ngf h ILE 45 N -0.19 1.24 -0.68 4.57 2.04 -1.27 -0.46 117.51 122.75 3ngf h ILE 45 Ca 0.01 -0.57 0.05 0.00 1.00 0.00 0.00 64.86 65.35 3ngf h ILE 45 Cb 0.71 0.13 -0.05 0.00 -0.74 0.00 0.00 36.82 36.86 3ngf h ILE 45 CO 0.03 0.26 0.39 0.00 0.00 0.00 0.00 178.15 178.83 3ngf h ALA 46 N 1.25 0.91 -0.17 1.87 0.00 -0.80 -1.45 119.26 120.86 3ngf h ALA 46 Ca 0.29 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 3ngf h ALA 46 Cb 0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3ngf h ALA 46 CO -0.05 0.09 -0.26 0.00 0.00 0.00 0.00 179.25 179.03 3ngf h ARG 47 N 0.73 0.31 -0.19 0.00 3.08 -0.76 -1.54 114.38 116.01 3ngf h ARG 47 Ca 0.30 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.24 3ngf h ARG 47 Cb 0.15 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 3ngf h ARG 47 CO -0.17 0.55 0.12 0.93 -1.07 0.00 0.00 179.97 180.34 3ngf h GLU 48 N 0.28 0.25 -0.62 0.04 4.39 -0.24 -0.02 114.58 118.66 3ngf h GLU 48 Ca 0.04 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 3ngf h GLU 48 Cb 0.61 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.18 3ngf h GLU 48 CO 0.04 0.18 0.33 -0.07 -1.16 0.00 0.00 179.01 178.33 3ngf h LEU 49 N 0.25 0.78 -0.09 1.33 3.38 -1.02 -2.25 115.31 117.68 3ngf h LEU 49 Ca 0.07 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 3ngf h LEU 49 Cb -0.01 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 3ngf h LEU 49 CO -0.01 0.66 -0.09 0.50 0.09 0.00 0.00 178.44 179.59 3ngf h LYS 50 N 0.84 0.23 -0.24 1.13 3.64 -1.16 -0.02 116.57 120.98 3ngf h LYS 50 Ca 0.22 -0.12 -0.06 0.00 -1.27 0.00 0.00 60.65 59.42 3ngf h LYS 50 Cb 0.06 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 3ngf h LYS 50 CO -0.03 0.64 -0.12 0.37 -2.27 0.00 0.00 179.45 178.03 3ngf h GLN 51 N -0.18 0.40 -0.61 1.90 4.15 -0.96 -2.89 115.11 116.91 3ngf h GLN 51 Ca 0.02 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.33 3ngf h GLN 51 Cb 0.59 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.24 3ngf h GLN 51 CO 0.02 0.53 0.00 0.72 -1.93 0.00 0.00 178.83 178.17 3ngf n HIS 52 N -4.23 1.05 -3.74 3.99 8.25 -0.85 -4.99 115.22 114.70 3ngf n HIS 52 Ca 0.00 -0.56 -0.27 0.00 -0.26 0.00 0.00 57.72 56.63 3ngf n HIS 52 Cb 0.30 -0.10 0.03 0.00 1.12 0.00 0.00 29.99 31.34 3ngf n HIS 52 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3ngf n ASN 53 N 1.15 -3.23 -4.28 0.41 5.15 -0.72 -4.80 115.26 108.94 3ngf n ASN 53 Ca 0.22 -0.96 -0.29 0.00 -0.60 0.00 0.00 54.58 52.95 3ngf n ASN 53 Cb 0.69 -3.50 -0.15 0.00 -0.53 0.00 0.00 39.78 36.28 3ngf n ASN 53 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3ngf s LEU 54 N -6.60 2.09 -0.11 1.20 1.43 -0.10 -4.81 118.68 111.78 3ngf s LEU 54 Ca 0.26 -0.48 -0.17 0.00 -1.03 0.00 0.00 54.13 52.71 3ngf s LEU 54 Cb -0.09 -1.20 -0.04 0.00 0.03 0.00 0.00 46.19 44.89 3ngf s LEU 54 CO 0.85 0.27 0.45 -0.89 0.23 0.00 0.00 176.35 177.26 3ngf s THR 55 N -0.64 5.18 -0.47 5.49 2.01 -0.14 -4.63 115.64 122.44 3ngf s THR 55 Ca 0.09 0.90 -0.28 0.00 0.31 0.00 0.00 61.69 62.71 3ngf s THR 55 Cb -0.09 -3.79 0.03 0.00 0.01 0.00 0.00 72.50 68.66 3ngf s THR 55 CO 0.00 0.36 1.09 -1.58 -0.69 0.00 0.00 174.62 173.80 3ngf s GLN 56 N 0.42 3.69 -0.05 4.92 2.00 -1.26 -0.89 119.66 128.49 3ngf s GLN 56 Ca 0.25 0.49 0.00 0.00 -2.00 0.00 0.00 55.36 54.10 3ngf s GLN 56 Cb -0.15 -3.91 -0.26 0.00 0.80 0.00 0.00 33.01 29.49 3ngf s GLN 56 CO 0.10 -1.33 0.63 0.28 -0.50 0.00 0.00 175.29 174.47 3ngf h VAL 57 N 6.18 0.88 -1.84 1.34 2.07 -1.50 -3.40 116.25 119.98 3ngf h VAL 57 Ca -0.23 -2.61 -0.01 0.00 0.82 0.00 0.00 66.70 64.67 3ngf h VAL 57 Cb 1.06 2.58 -0.20 0.00 -1.52 0.00 0.00 31.29 33.21 3ngf h VAL 57 CO 1.10 0.76 0.32 -0.22 0.02 0.00 0.00 177.57 179.55 3ngf s LEU 58 N -6.75 -0.55 0.31 2.57 2.96 -1.26 -4.32 118.68 111.64 3ngf s LEU 58 Ca -0.12 0.60 -0.15 0.00 -0.22 0.00 0.00 54.13 54.23 3ngf s LEU 58 Cb 0.07 2.29 0.02 0.00 0.50 0.00 0.00 46.19 49.08 3ngf s LEU 58 CO 0.82 -0.51 0.66 0.72 -1.32 0.00 0.00 176.35 176.71 3ngf s PHE 59 N -1.17 0.18 0.19 5.38 -0.12 -1.23 -3.31 117.98 117.90 3ngf s PHE 59 Ca -0.08 -0.65 -0.04 0.00 -0.05 0.00 0.00 56.93 56.11 3ngf s PHE 59 Cb -0.00 0.54 -0.05 0.00 -0.63 0.00 0.00 43.02 42.87 3ngf s PHE 59 CO 0.07 -1.27 0.43 -0.80 -0.05 0.00 0.00 175.22 173.59 3ngf s ASN 60 N -3.02 6.48 0.85 1.98 -0.87 0.50 -1.40 114.94 119.44 3ngf s ASN 60 Ca 0.17 0.61 -0.11 0.00 -1.57 0.00 0.00 52.86 51.96 3ngf s ASN 60 Cb -0.04 -2.10 0.10 0.00 -0.02 0.00 0.00 41.25 39.20 3ngf s ASN 60 CO 0.10 -0.02 1.09 -0.04 -2.57 0.00 0.00 177.10 175.67 3ngf s MET 61 N -2.96 1.63 0.31 -0.60 -1.94 -0.26 -4.77 119.30 110.72 3ngf s MET 61 Ca 0.42 1.02 -0.29 0.00 -1.71 0.00 0.00 55.69 55.13 3ngf s MET 61 Cb -0.12 -1.84 -0.12 0.00 2.01 0.00 0.00 34.83 34.76 3ngf s MET 61 CO 0.26 -2.04 1.35 -2.30 -0.01 0.00 0.00 175.02 172.28 3ngf n PRO 62 N -3.77 2.16 0.00 2.03 -0.02 -1.26 -4.79 135.00 129.34 3ngf n PRO 62 Ca 0.08 0.76 0.13 0.00 -2.02 0.00 0.00 63.50 62.45 3ngf n PRO 62 Cb 0.54 -2.38 0.36 0.00 -0.02 0.00 0.00 33.50 32.00 3ngf n PRO 62 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3ngf n PRO 63 N 1.04 1.64 0.00 0.52 -0.04 -1.26 -4.80 135.00 132.10 3ngf n PRO 63 Ca 0.07 -1.11 0.00 0.00 -0.04 0.00 0.00 63.50 62.42 3ngf n PRO 63 Cb 0.35 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.33 3ngf n PRO 63 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ngf n GLY 64 N 1.26 0.25 3.40 0.55 0.00 -1.26 -1.10 105.19 108.29 3ngf n GLY 64 Ca 0.16 -1.37 -0.45 0.00 0.00 0.00 0.00 46.02 44.36 3ngf n GLY 64 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ngf s ASP 65 N -4.00 6.58 0.15 1.61 -1.08 -1.26 -4.88 116.67 113.79 3ngf s ASP 65 Ca 0.00 -2.12 -0.13 0.00 -0.52 0.00 0.00 52.55 49.78 3ngf s ASP 65 Cb 0.00 -2.32 0.03 0.00 -1.46 0.00 0.00 42.92 39.17 3ngf s ASP 65 CO 0.00 -0.92 1.64 -0.25 0.52 0.00 0.00 175.17 176.16 3ngf h TRP 66 N 8.57 0.89 -0.83 -5.34 2.91 -1.87 -1.77 115.95 118.51 3ngf h TRP 66 Ca 0.04 -0.12 0.11 0.00 1.13 0.00 0.00 58.89 60.06 3ngf h TRP 66 Cb 1.04 -0.24 -0.06 0.00 -0.51 0.00 0.00 29.16 29.39 3ngf h TRP 66 CO 1.06 0.80 0.54 0.00 -1.03 0.00 0.00 178.44 179.81 3ngf h ALA 67 N 0.98 1.79 -0.16 2.65 0.00 -1.89 0.91 119.26 123.54 3ngf h ALA 67 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3ngf h ALA 67 Cb 0.39 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3ngf h ALA 67 CO 0.01 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.27 3ngf n ALA 68 N -2.44 2.50 -0.27 0.00 0.00 -0.98 -4.90 120.51 114.42 3ngf n ALA 68 Ca 0.15 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3ngf n ALA 68 Cb 0.38 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.77 3ngf n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ngf n GLY 69 N 0.87 0.75 3.76 0.00 0.00 0.31 -5.07 105.19 105.82 3ngf n GLY 69 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 3ngf n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ngf s GLU 70 N -0.73 4.48 -0.37 1.61 2.02 -0.70 -4.94 118.70 120.07 3ngf s GLU 70 Ca 0.00 1.83 0.13 0.00 0.02 0.00 0.00 54.97 56.95 3ngf s GLU 70 Cb 0.00 -3.04 0.44 0.00 0.10 0.00 0.00 34.13 31.63 3ngf s GLU 70 CO 0.00 0.05 0.99 0.54 0.02 0.00 0.00 175.26 176.86 3ngf n ARG 71 N 0.86 1.93 0.00 1.61 5.12 -1.26 -4.28 116.66 120.64 3ngf n ARG 71 Ca 0.00 -3.71 0.00 0.00 -1.93 0.00 0.00 57.85 52.21 3ngf n ARG 71 Cb 0.45 -1.62 0.00 0.00 -1.16 0.00 0.00 32.46 30.13 3ngf n ARG 71 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ngf n GLY 72 N -0.18 1.31 0.00 -0.13 0.00 -0.26 -1.56 105.19 104.37 3ngf n GLY 72 Ca 0.20 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 44.18 3ngf n GLY 72 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3ngf n MET 73 N 1.37 0.00 0.28 1.61 0.00 -1.18 -3.43 117.12 115.77 3ngf n MET 73 Ca 0.00 -0.36 0.13 0.00 0.00 0.00 0.00 57.70 57.46 3ngf n MET 73 Cb 0.00 -0.41 0.82 0.00 0.00 0.00 0.00 33.22 33.63 3ngf n MET 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3ngf h ALA 74 N 0.00 1.66 -0.46 3.17 0.00 -1.30 -1.68 119.26 120.65 3ngf h ALA 74 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ngf h ALA 74 Cb 0.94 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3ngf h ALA 74 CO 0.00 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.26 3ngf n ALA 75 N -2.39 2.78 -2.98 0.00 0.00 -0.50 -2.86 120.51 114.56 3ngf n ALA 75 Ca -0.03 -1.64 -0.40 0.00 0.00 0.00 0.00 53.44 51.37 3ngf n ALA 75 Cb 0.09 -0.76 -0.11 0.00 0.00 0.00 0.00 19.45 18.67 3ngf n ALA 75 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3ngf s ILE 76 N -1.82 4.37 0.30 0.00 1.01 -0.64 -4.31 121.20 120.12 3ngf s ILE 76 Ca 0.40 -1.02 -0.30 0.00 0.00 0.00 0.00 60.65 59.73 3ngf s ILE 76 Cb 0.27 -3.50 -0.12 0.00 0.01 0.00 0.00 42.46 39.12 3ngf s ILE 76 CO 0.18 -0.29 1.57 -1.20 0.00 0.00 0.00 174.94 175.21 3ngf n SER 77 N 4.95 3.77 0.00 3.58 7.64 -1.26 -2.29 113.62 130.02 3ngf n SER 77 Ca -0.12 1.15 0.00 0.00 1.01 0.00 0.00 58.87 60.92 3ngf n SER 77 Cb 0.45 -1.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.07 3ngf n SER 77 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ngf n GLY 78 N 2.02 2.74 1.62 0.23 0.00 -1.26 -4.91 105.19 105.63 3ngf n GLY 78 Ca 0.08 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.15 3ngf n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ngf n ARG 79 N -2.00 4.11 -0.10 1.61 1.74 -0.97 -4.65 116.66 116.40 3ngf n ARG 79 Ca 0.00 -3.07 -0.12 0.00 -0.77 0.00 0.00 57.85 53.88 3ngf n ARG 79 Cb 0.00 -2.14 -0.04 0.00 -1.02 0.00 0.00 32.46 29.27 3ngf n ARG 79 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3ngf h GLU 80 N 3.12 0.66 -0.14 5.56 3.07 -1.90 -1.39 114.58 123.57 3ngf h GLU 80 Ca 0.05 -0.30 -0.10 0.00 -0.50 0.00 0.00 59.36 58.51 3ngf h GLU 80 Cb 1.89 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 29.77 3ngf h GLU 80 CO 0.46 0.89 -0.35 0.37 -1.40 0.00 0.00 179.01 178.98 3ngf h GLN 81 N 0.42 0.28 -0.30 2.33 5.75 -1.99 0.19 115.11 121.80 3ngf h GLN 81 Ca 0.07 -0.12 0.02 0.00 -0.15 0.00 0.00 58.65 58.47 3ngf h GLN 81 Cb 0.70 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.21 3ngf h GLN 81 CO 0.05 0.59 0.14 1.49 -2.65 0.00 0.00 178.83 178.46 3ngf h GLU 82 N 0.24 0.29 -0.70 1.69 4.81 -1.85 0.43 114.58 119.50 3ngf h GLU 82 Ca 0.03 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.29 3ngf h GLU 82 Cb 0.73 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.99 3ngf h GLU 82 CO 0.06 0.19 0.41 0.35 -0.73 0.00 0.00 179.01 179.29 3ngf h PHE 83 N 0.30 0.76 -0.40 0.92 3.57 -0.88 -0.68 116.94 120.54 3ngf h PHE 83 Ca 0.12 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 3ngf h PHE 83 Cb 0.05 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.53 3ngf h PHE 83 CO -0.10 0.39 0.18 0.00 -2.23 0.00 0.00 178.31 176.55 3ngf h ARG 84 N 0.77 0.59 -0.79 1.11 3.08 -0.42 -0.93 114.38 117.79 3ngf h ARG 84 Ca 0.30 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.25 3ngf h ARG 84 Cb 0.13 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.04 3ngf h ARG 84 CO -0.15 0.53 0.48 -0.44 -1.07 0.00 0.00 179.97 179.31 3ngf h ASP 85 N 0.51 0.94 0.41 7.04 3.32 -0.73 -2.09 116.42 125.82 3ngf h ASP 85 Ca 0.14 -0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.06 3ngf h ASP 85 Cb 0.14 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 3ngf h ASP 85 CO -0.02 0.72 -0.36 0.78 -1.72 0.00 0.00 179.24 178.65 3ngf h ASN 86 N 1.08 0.00 -0.79 6.45 2.35 -0.43 -2.06 115.58 122.19 3ngf h ASN 86 Ca 0.28 0.00 0.05 0.00 -0.55 0.00 0.00 56.30 56.08 3ngf h ASN 86 Cb -0.05 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.27 3ngf h ASN 86 CO -0.05 0.36 0.49 0.58 -1.65 0.00 0.00 177.43 177.15 3ngf h VAL 87 N 0.00 1.07 -0.28 2.81 2.07 -0.47 -1.69 116.25 119.76 3ngf h VAL 87 Ca -0.00 -0.32 -0.10 0.00 0.82 0.00 0.00 66.70 67.10 3ngf h VAL 87 Cb 0.66 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 3ngf h VAL 87 CO 0.05 0.17 -0.27 -0.78 0.02 0.00 0.00 177.57 176.76 3ngf h ASP 88 N 0.92 0.56 -0.09 0.57 3.58 -1.32 0.15 116.42 120.79 3ngf h ASP 88 Ca 0.33 -0.20 -0.01 0.00 0.42 0.00 0.00 57.03 57.58 3ngf h ASP 88 Cb 0.09 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 40.99 3ngf h ASP 88 CO -0.14 0.81 0.03 0.40 -2.88 0.00 0.00 179.24 177.45 3ngf h ILE 89 N 0.48 1.17 -0.74 2.25 2.04 -1.39 -1.74 117.51 119.58 3ngf h ILE 89 Ca 0.07 -0.50 0.02 0.00 1.00 0.00 0.00 64.86 65.45 3ngf h ILE 89 Cb 0.71 1.33 -0.04 0.00 -0.74 0.00 0.00 36.82 38.08 3ngf h ILE 89 CO 0.05 0.14 0.48 0.00 0.00 0.00 0.00 178.15 178.83 3ngf h ALA 90 N 0.85 0.96 -0.63 1.87 0.00 -1.08 -2.69 119.26 118.54 3ngf h ALA 90 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ngf h ALA 90 Cb 0.20 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3ngf h ALA 90 CO -0.00 0.29 0.40 1.25 0.00 0.00 0.00 179.25 181.19 3ngf h LEU 91 N 0.94 0.75 -0.49 0.00 5.85 -0.60 -0.00 115.31 121.76 3ngf h LEU 91 Ca 0.29 -0.04 0.08 0.00 0.84 0.00 0.00 57.88 59.05 3ngf h LEU 91 Cb -0.03 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 40.75 3ngf h LEU 91 CO -0.09 0.57 0.11 -0.74 -0.34 0.00 0.00 178.44 177.94 3ngf h HIS 92 N 0.86 0.18 -0.44 1.25 2.76 -1.03 -0.40 115.15 118.32 3ngf h HIS 92 Ca 0.23 0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 58.33 3ngf h HIS 92 Cb -0.06 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 28.88 3ngf h HIS 92 CO -0.02 0.01 -0.12 1.88 -1.30 0.00 0.00 177.93 178.38 3ngf h TYR 93 N 0.25 0.98 -0.82 5.26 -1.99 -1.18 -2.40 116.97 117.08 3ngf h TYR 93 Ca 0.24 -0.22 -0.02 0.00 2.00 0.00 0.00 58.73 60.74 3ngf h TYR 93 Cb 0.31 -0.24 -0.04 0.00 2.00 0.00 0.00 36.73 38.76 3ngf h TYR 93 CO -0.21 0.97 0.45 0.00 -0.00 0.00 0.00 178.16 179.37 3ngf h ALA 94 N 0.86 1.05 -0.32 3.88 0.00 -0.50 -0.76 119.26 123.47 3ngf h ALA 94 Ca 0.11 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3ngf h ALA 94 Cb 0.67 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3ngf h ALA 94 CO 0.05 0.55 -0.07 -0.07 0.00 0.00 0.00 179.25 179.71 3ngf h LEU 95 N 1.14 0.61 -1.13 0.00 3.38 -1.08 0.50 115.31 118.72 3ngf h LEU 95 Ca 0.29 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.92 3ngf h LEU 95 Cb 0.03 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 3ngf h LEU 95 CO -0.05 0.83 0.59 0.00 0.09 0.00 0.00 178.44 179.90 3ngf h ALA 96 N 0.80 1.40 -0.10 1.53 0.00 -1.08 -2.69 119.26 119.13 3ngf h ALA 96 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3ngf h ALA 96 Cb 0.56 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3ngf h ALA 96 CO 0.03 0.53 0.00 1.28 0.00 0.00 0.00 179.25 181.09 3ngf n LEU 97 N -4.42 2.45 -3.96 0.00 4.77 -0.32 -4.72 117.00 110.79 3ngf n LEU 97 Ca 0.11 -0.88 -0.28 0.00 -0.03 0.00 0.00 56.01 54.93 3ngf n LEU 97 Cb 0.07 -0.05 -0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3ngf n LEU 97 CO 0.36 0.44 -0.08 -0.67 -1.33 0.00 0.00 177.39 176.11 3ngf n ASP 98 N 0.89 -2.17 -4.76 -1.43 2.03 -0.01 -4.42 116.55 106.67 3ngf n ASP 98 Ca 0.17 -0.92 -0.36 0.00 0.52 0.00 0.00 54.79 54.19 3ngf n ASP 98 Cb 0.49 -3.35 -0.07 0.00 -0.72 0.00 0.00 41.12 37.47 3ngf n ASP 98 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3ngf n ARG 100 N 3.17 2.81 -3.70 0.00 5.12 -1.26 -4.68 116.66 118.12 3ngf n ARG 100 Ca -0.14 -2.32 -0.14 0.00 -1.93 0.00 0.00 57.85 53.33 3ngf n ARG 100 Cb 0.52 -1.47 -0.14 0.00 -1.16 0.00 0.00 32.46 30.22 3ngf n ARG 100 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3ngf s THR 101 N -1.77 -0.18 -0.02 0.55 2.01 -1.26 -1.46 115.64 113.50 3ngf s THR 101 Ca 0.28 0.22 0.05 0.00 0.31 0.00 0.00 61.69 62.55 3ngf s THR 101 Cb 0.20 -0.36 -0.01 0.00 0.01 0.00 0.00 72.50 72.34 3ngf s THR 101 CO 0.11 0.09 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.21 3ngf s LEU 102 N 1.72 1.99 -0.27 4.42 1.43 -0.14 -3.54 118.68 124.30 3ngf s LEU 102 Ca -0.05 -0.31 -0.13 0.00 -1.03 0.00 0.00 54.13 52.61 3ngf s LEU 102 Cb -0.11 -0.88 -0.04 0.00 0.03 0.00 0.00 46.19 45.19 3ngf s LEU 102 CO -0.08 0.19 0.29 -2.28 0.23 0.00 0.00 176.35 174.70 3ngf s HIS 103 N -0.26 3.24 -0.39 0.29 5.65 -0.50 -0.12 115.29 123.19 3ngf s HIS 103 Ca 0.04 0.28 -0.16 0.00 0.25 0.00 0.00 55.06 55.46 3ngf s HIS 103 Cb -0.08 -2.48 0.01 0.00 -1.18 0.00 0.00 32.58 28.85 3ngf s HIS 103 CO 0.00 -0.19 0.41 0.00 -0.65 0.00 0.00 174.74 174.31 3ngf s ALA 104 N 1.91 3.46 0.46 1.58 0.00 -0.55 -1.10 121.76 127.51 3ngf s ALA 104 Ca 0.11 -1.39 -0.22 0.00 0.00 0.00 0.00 51.96 50.47 3ngf s ALA 104 Cb -0.16 -2.96 -0.09 0.00 0.00 0.00 0.00 23.12 19.91 3ngf s ALA 104 CO 0.10 -1.38 1.05 -1.64 0.00 0.00 0.00 175.76 173.90 3ngf s MET 105 N 2.09 3.91 -0.17 0.00 -1.94 -1.26 -4.68 119.30 117.26 3ngf s MET 105 Ca 0.12 1.44 0.18 0.00 -1.71 0.00 0.00 55.69 55.72 3ngf s MET 105 Cb -0.17 -2.27 -0.25 0.00 2.01 0.00 0.00 34.83 34.16 3ngf s MET 105 CO 0.13 -0.35 0.13 0.43 -0.01 0.00 0.00 175.02 175.35 3ngf n SER 106 N -0.63 0.24 0.00 3.03 7.64 -1.25 -2.23 113.62 120.41 3ngf n SER 106 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.96 3ngf n SER 106 Cb 0.51 1.13 0.00 0.00 -1.01 0.00 0.00 64.21 64.84 3ngf n SER 106 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ngf n GLY 107 N 1.73 1.71 3.63 0.23 0.00 -0.60 -1.41 105.19 110.48 3ngf n GLY 107 Ca -0.27 -1.99 -0.43 0.00 0.00 0.00 0.00 46.02 43.33 3ngf n GLY 107 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ngf s ILE 108 N -2.24 4.56 -0.77 -0.61 -1.09 -1.26 -1.65 121.20 118.14 3ngf s ILE 108 Ca 0.00 1.54 0.06 0.00 -2.23 0.00 0.00 60.65 60.02 3ngf s ILE 108 Cb 0.00 -4.36 0.05 0.00 -1.58 0.00 0.00 42.46 36.57 3ngf s ILE 108 CO 0.00 -0.46 0.69 0.35 -1.23 0.00 0.00 174.94 174.29 3ngf n THR 109 N 5.85 0.00 -1.62 2.92 -2.24 -0.45 -4.93 114.28 113.82 3ngf n THR 109 Ca 0.10 -0.50 -0.48 0.00 -2.27 0.00 0.00 64.05 60.90 3ngf n THR 109 Cb 0.47 1.13 -0.04 0.00 -2.10 0.00 0.00 70.33 69.79 3ngf n THR 109 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3ngf n GLU 110 N 0.34 1.52 0.00 -0.78 2.13 -1.05 -0.74 120.64 122.06 3ngf n GLU 110 Ca 0.04 0.54 0.00 0.00 0.66 0.00 0.00 57.16 58.40 3ngf n GLU 110 Cb 0.15 -2.13 0.00 0.00 0.27 0.00 0.00 31.44 29.73 3ngf n GLU 110 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ngf n GLY 111 N 2.24 2.31 3.92 8.31 0.00 -1.26 -5.04 105.19 115.67 3ngf n GLY 111 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 3ngf n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ngf s LEU 112 N 0.00 3.92 0.02 0.99 1.43 0.08 -5.03 118.68 120.08 3ngf s LEU 112 Ca 0.00 0.63 -0.30 0.00 -1.03 0.00 0.00 54.13 53.43 3ngf s LEU 112 Cb 0.00 -3.51 -0.07 0.00 0.03 0.00 0.00 46.19 42.63 3ngf s LEU 112 CO 0.00 -0.35 1.71 -0.62 0.23 0.00 0.00 176.35 177.32 3ngf s ASP 113 N -3.89 6.60 0.13 2.29 2.15 -1.26 -4.91 116.67 117.79 3ngf s ASP 113 Ca 0.43 2.43 -0.15 0.00 0.43 0.00 0.00 52.55 55.69 3ngf s ASP 113 Cb -0.10 -2.55 -0.00 0.00 -0.30 0.00 0.00 42.92 39.97 3ngf s ASP 113 CO 0.37 -0.93 1.68 -0.09 -0.17 0.00 0.00 175.17 176.03 3ngf h ARG 114 N 9.15 0.63 -0.35 4.34 9.65 -1.96 -2.17 114.38 133.67 3ngf h ARG 114 Ca -0.43 -0.12 0.02 0.00 -1.10 0.00 0.00 59.98 58.35 3ngf h ARG 114 Cb 1.20 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 29.66 3ngf h ARG 114 CO 0.94 0.59 0.20 -0.22 2.80 0.00 0.00 179.97 184.28 3ngf h LYS 115 N 0.52 0.39 -0.81 0.20 3.64 -2.00 -1.10 116.57 117.43 3ngf h LYS 115 Ca 0.14 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.54 3ngf h LYS 115 Cb 0.21 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.89 3ngf h LYS 115 CO -0.01 0.26 0.50 0.00 -2.27 0.00 0.00 179.45 177.93 3ngf h ALA 116 N 1.16 1.08 -0.51 5.00 0.00 -1.92 -1.25 119.26 122.81 3ngf h ALA 116 Ca 0.14 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3ngf h ALA 116 Cb 0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3ngf h ALA 116 CO -0.07 0.28 0.30 0.00 0.00 0.00 0.00 179.25 179.76 3ngf h GLU 118 N 0.69 0.80 -0.38 0.00 5.08 -0.79 0.31 114.58 120.28 3ngf h GLU 118 Ca 0.18 -0.18 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 3ngf h GLU 118 Cb 0.02 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 3ngf h GLU 118 CO -0.03 0.76 -0.18 0.93 -1.00 0.00 0.00 179.01 179.49 3ngf h GLU 119 N 0.70 0.71 -0.37 2.33 4.39 -1.17 -0.86 114.58 120.30 3ngf h GLU 119 Ca 0.16 -0.26 -0.07 0.00 0.34 0.00 0.00 59.36 59.53 3ngf h GLU 119 Cb 0.30 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 3ngf h GLU 119 CO -0.00 0.84 -0.04 1.15 -1.16 0.00 0.00 179.01 179.81 3ngf h THR 120 N 0.63 1.27 -0.45 1.13 2.02 -1.06 -1.89 112.91 114.55 3ngf h THR 120 Ca 0.10 -1.07 0.06 0.00 0.77 0.00 0.00 66.41 66.27 3ngf h THR 120 Cb 0.66 1.21 -0.05 0.00 -1.74 0.00 0.00 68.15 68.22 3ngf h THR 120 CO 0.05 0.36 0.15 0.15 0.37 0.00 0.00 175.52 176.59 3ngf h PHE 121 N 0.50 0.26 -0.48 3.16 3.57 -0.68 -0.87 116.94 122.39 3ngf h PHE 121 Ca 0.10 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 3ngf h PHE 121 Cb 0.52 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 3ngf h PHE 121 CO 0.04 0.08 0.21 0.82 -2.23 0.00 0.00 178.31 177.23 3ngf h ILE 122 N 0.31 1.20 -0.46 1.41 2.04 -0.99 -0.89 117.51 120.13 3ngf h ILE 122 Ca 0.21 -0.61 -0.06 0.00 1.00 0.00 0.00 64.86 65.40 3ngf h ILE 122 Cb 0.22 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 3ngf h ILE 122 CO -0.23 0.23 0.06 -0.33 0.00 0.00 0.00 178.15 177.88 3ngf h GLU 123 N 0.64 0.78 -0.43 2.37 4.39 -1.06 -1.10 114.58 120.17 3ngf h GLU 123 Ca 0.16 -0.22 -0.07 0.00 0.34 0.00 0.00 59.36 59.57 3ngf h GLU 123 Cb 0.17 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 3ngf h GLU 123 CO -0.02 0.80 -0.02 -0.91 -1.16 0.00 0.00 179.01 177.70 3ngf h ASN 124 N 0.64 0.77 -0.20 1.42 2.35 -0.99 -1.53 115.58 118.03 3ngf h ASN 124 Ca 0.14 -0.32 -0.10 0.00 -0.55 0.00 0.00 56.30 55.47 3ngf h ASN 124 Cb 0.42 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 3ngf h ASN 124 CO 0.01 0.90 -0.21 -0.26 -1.65 0.00 0.00 177.43 176.23 3ngf h PHE 125 N 0.61 0.71 -0.44 1.19 -1.00 -1.09 0.04 116.94 116.97 3ngf h PHE 125 Ca 0.12 -0.15 -0.05 0.00 2.81 0.00 0.00 57.97 60.70 3ngf h PHE 125 Cb 0.52 -0.18 -0.02 0.00 3.61 0.00 0.00 35.95 39.89 3ngf h PHE 125 CO 0.04 0.80 0.08 0.00 -1.61 0.00 0.00 178.31 177.62 3ngf h ARG 126 N 0.57 0.72 -0.23 1.51 3.08 -1.01 0.51 114.38 119.53 3ngf h ARG 126 Ca 0.09 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.95 3ngf h ARG 126 Cb 0.67 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 3ngf h ARG 126 CO 0.05 0.74 0.14 -0.92 -1.07 0.00 0.00 179.97 178.91 3ngf h TYR 127 N 0.58 0.30 -0.50 3.04 3.20 -1.01 -0.58 116.97 122.00 3ngf h TYR 127 Ca 0.13 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 3ngf h TYR 127 Cb 0.36 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 3ngf h TYR 127 CO 0.02 0.21 0.25 0.00 -1.64 0.00 0.00 178.16 177.00 3ngf h ALA 128 N 1.06 0.64 -0.53 1.82 0.00 -0.85 -1.11 119.26 120.28 3ngf h ALA 128 Ca 0.08 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.91 3ngf h ALA 128 Cb -0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 3ngf h ALA 128 CO -0.02 0.20 0.31 0.00 0.00 0.00 0.00 179.25 179.75 3ngf h ALA 129 N 1.09 0.69 -0.41 0.00 0.00 -0.62 -1.23 119.26 118.77 3ngf h ALA 129 Ca 0.17 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 3ngf h ALA 129 Cb 0.11 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3ngf h ALA 129 CO -0.02 0.01 -0.13 -0.44 0.00 0.00 0.00 179.25 178.67 3ngf h ASP 130 N 0.62 0.74 0.61 0.00 3.32 -0.72 -0.13 116.42 120.85 3ngf h ASP 130 Ca 0.22 -0.23 -0.17 0.00 0.02 0.00 0.00 57.03 56.88 3ngf h ASP 130 Cb 0.04 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 3ngf h ASP 130 CO -0.11 0.89 -0.75 0.11 -1.72 0.00 0.00 179.24 177.66 3ngf h LYS 131 N 0.67 0.11 0.00 3.56 1.79 -0.95 -3.33 116.57 118.42 3ngf h LYS 131 Ca 0.11 -0.10 -0.12 0.00 -2.18 0.00 0.00 60.65 58.36 3ngf h LYS 131 Cb 0.60 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.26 3ngf h LYS 131 CO 0.04 0.81 -1.32 1.28 -1.08 0.00 0.00 179.45 179.17 3ngf n LEU 132 N -3.71 0.84 -0.19 2.94 4.77 -0.49 -4.33 117.00 116.83 3ngf n LEU 132 Ca -0.02 0.36 0.03 0.00 -0.03 0.00 0.00 56.01 56.35 3ngf n LEU 132 Cb 0.72 0.04 0.29 0.00 -2.33 0.00 0.00 43.42 42.14 3ngf n LEU 132 CO 0.45 0.05 1.23 0.00 -1.33 0.00 0.00 177.39 177.79 3ngf h ALA 133 N 1.58 1.56 -0.03 -1.18 0.00 -1.13 -1.54 119.26 118.53 3ngf h ALA 133 Ca -0.12 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.76 3ngf h ALA 133 Cb 1.42 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 3ngf h ALA 133 CO 0.03 0.37 0.05 -1.35 0.00 0.00 0.00 179.25 178.36 3ngf h PRO 134 N 0.90 0.00 -0.39 0.00 0.11 -1.78 -1.46 132.00 129.38 3ngf h PRO 134 Ca 0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.40 3ngf h PRO 134 Cb 0.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.14 3ngf h PRO 134 CO -0.08 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 178.43 3ngf n HIS 135 N -3.47 0.51 -1.91 0.65 8.25 -0.62 -4.99 115.22 113.65 3ngf n HIS 135 Ca -0.02 -0.37 -0.16 0.00 -0.26 0.00 0.00 57.72 56.91 3ngf n HIS 135 Cb 0.14 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.20 3ngf n HIS 135 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ngf n GLY 136 N 0.98 0.57 3.81 -1.41 0.00 -0.55 -4.99 105.19 103.60 3ngf n GLY 136 Ca 0.15 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 3ngf n GLY 136 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ngf s ILE 137 N -2.69 5.42 -0.08 -0.61 1.01 -0.97 -4.88 121.20 118.40 3ngf s ILE 137 Ca 0.00 0.28 -0.07 0.00 0.00 0.00 0.00 60.65 60.87 3ngf s ILE 137 Cb 0.00 -3.47 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 3ngf s ILE 137 CO 0.00 0.53 0.18 -0.89 0.00 0.00 0.00 174.94 174.76 3ngf s THR 138 N -0.43 5.44 -0.12 2.92 2.01 -0.54 -4.23 115.64 120.70 3ngf s THR 138 Ca 0.13 0.17 -0.03 0.00 0.31 0.00 0.00 61.69 62.28 3ngf s THR 138 Cb -0.12 -3.47 -0.03 0.00 0.01 0.00 0.00 72.50 68.89 3ngf s THR 138 CO 0.03 0.53 -0.01 0.54 -0.69 0.00 0.00 174.62 175.02 3ngf s VAL 139 N -1.12 4.16 0.08 3.82 0.11 -0.67 -0.96 120.40 125.82 3ngf s VAL 139 Ca 0.19 -0.28 0.07 0.00 -2.93 0.00 0.00 61.98 59.03 3ngf s VAL 139 Cb -0.13 -2.79 -0.04 0.00 -1.53 0.00 0.00 36.38 31.90 3ngf s VAL 139 CO 0.09 0.55 -0.15 -0.76 -3.33 0.00 0.00 175.10 171.50 3ngf s LEU 140 N -0.29 2.81 -0.19 2.54 1.43 0.82 -2.07 118.68 123.74 3ngf s LEU 140 Ca 0.06 -0.44 -0.08 0.00 -1.03 0.00 0.00 54.13 52.64 3ngf s LEU 140 Cb -0.12 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 3ngf s LEU 140 CO 0.02 0.21 0.08 0.54 0.23 0.00 0.00 176.35 177.44 3ngf s VAL 141 N -1.09 4.95 -0.31 -1.59 0.11 -0.78 -1.48 120.40 120.22 3ngf s VAL 141 Ca 0.18 0.03 -0.03 0.00 -2.93 0.00 0.00 61.98 59.22 3ngf s VAL 141 Cb -0.11 -3.25 0.04 0.00 -1.53 0.00 0.00 36.38 31.54 3ngf s VAL 141 CO 0.09 0.45 0.03 -0.70 -3.33 0.00 0.00 175.10 171.64 3ngf s GLU 142 N 0.45 2.53 0.30 1.54 2.12 -1.26 -0.62 118.70 123.76 3ngf s GLU 142 Ca 0.05 -1.21 -0.29 0.00 0.36 0.00 0.00 54.97 53.87 3ngf s GLU 142 Cb -0.12 -3.27 -0.10 0.00 0.26 0.00 0.00 34.13 30.89 3ngf s GLU 142 CO 0.00 -0.62 1.39 -2.14 -0.54 0.00 0.00 175.26 173.35 3ngf s PRO 143 N 1.31 4.28 0.00 4.30 0.02 -1.26 -4.91 135.00 138.75 3ngf s PRO 143 Ca -0.04 2.30 0.00 0.00 0.02 0.00 0.00 61.00 63.29 3ngf s PRO 143 Cb -0.19 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.25 3ngf s PRO 143 CO 0.00 -0.33 0.00 1.28 -0.33 0.00 0.00 177.00 177.62 3ngf n LEU 144 N 1.39 0.00 -4.10 -5.54 4.77 -0.74 -4.75 117.00 108.03 3ngf n LEU 144 Ca 0.03 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.90 3ngf n LEU 144 Cb 0.41 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.39 3ngf n LEU 144 CO 0.60 0.00 -0.39 0.54 -1.33 0.00 0.00 177.39 176.82 3ngf s ASN 145 N -0.31 0.87 0.00 -1.43 2.20 -1.26 -4.52 114.94 110.49 3ngf s ASN 145 Ca 0.00 -0.76 0.29 0.00 -0.94 0.00 0.00 52.86 51.45 3ngf s ASN 145 Cb 0.00 0.08 1.19 0.00 -2.00 0.00 0.00 41.25 40.52 3ngf s ASN 145 CO 0.00 -0.35 1.89 0.35 -2.94 0.00 0.00 177.10 176.05 3ngf n THR 146 N 0.78 0.00 -0.05 0.54 -2.24 -1.26 -1.28 114.28 110.76 3ngf n THR 146 Ca -0.18 -0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.49 3ngf n THR 146 Cb 0.58 -0.41 -0.09 0.00 -2.10 0.00 0.00 70.33 68.30 3ngf n THR 146 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3ngf h ARG 147 N 0.02 -0.02 0.00 -0.78 2.43 -1.99 -3.13 114.38 110.91 3ngf h ARG 147 Ca 0.00 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 3ngf h ARG 147 Cb 0.47 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 3ngf h ARG 147 CO 0.00 0.69 -0.50 -0.91 -1.51 0.00 0.00 179.97 177.74 3ngf h ASN 148 N -0.97 0.00 -1.95 -3.80 -0.26 -2.00 -3.39 115.58 103.21 3ngf h ASN 148 Ca -0.00 0.00 -0.53 0.00 -0.56 0.00 0.00 56.30 55.21 3ngf h ASN 148 Cb 0.71 0.00 -0.39 0.00 -1.06 0.00 0.00 38.32 37.59 3ngf h ASN 148 CO 0.00 0.50 -1.12 0.80 -1.06 0.00 0.00 177.43 176.55 3ngf n MET 149 N -3.25 0.80 -1.68 0.81 1.56 -0.41 -5.03 117.12 109.92 3ngf n MET 149 Ca 0.02 -3.24 -0.43 0.00 -0.27 0.00 0.00 57.70 53.77 3ngf n MET 149 Cb 0.72 -1.38 -0.02 0.00 2.15 0.00 0.00 33.22 34.70 3ngf n MET 149 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 3ngf n PRO 150 N 1.03 2.08 -1.00 2.12 -0.04 -1.18 -2.22 135.00 135.79 3ngf n PRO 150 Ca 0.22 0.74 0.00 0.00 -0.04 0.00 0.00 63.50 64.42 3ngf n PRO 150 Cb 0.58 -2.35 0.00 0.00 -0.04 0.00 0.00 33.50 31.69 3ngf n PRO 150 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ngf n GLY 151 N 1.41 0.89 3.76 0.55 0.00 -1.26 -4.99 105.19 105.54 3ngf n GLY 151 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 3ngf n GLY 151 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3ngf s TYR 152 N -3.55 2.46 0.22 1.61 5.04 -0.94 -1.34 117.35 120.86 3ngf s TYR 152 Ca 0.00 1.46 -0.07 0.00 -2.44 0.00 0.00 57.07 56.01 3ngf s TYR 152 Cb 0.00 -3.60 0.28 0.00 0.35 0.00 0.00 41.96 38.98 3ngf s TYR 152 CO 0.00 -2.35 1.84 0.35 -1.34 0.00 0.00 175.55 174.05 3ngf h PHE 153 N 1.45 0.86 -3.25 4.97 3.57 -1.66 -3.43 116.94 119.44 3ngf h PHE 153 Ca -0.50 0.03 -0.44 0.00 3.53 0.00 0.00 57.97 60.58 3ngf h PHE 153 Cb 1.29 -0.27 -0.38 0.00 2.79 0.00 0.00 35.95 39.37 3ngf h PHE 153 CO 0.48 0.44 -0.77 -1.50 -2.23 0.00 0.00 178.31 174.73 3ngf s ILE 154 N -6.08 0.39 -0.01 1.41 1.10 -1.26 -5.00 121.20 111.74 3ngf s ILE 154 Ca -0.13 0.07 0.02 0.00 -0.51 0.00 0.00 60.65 60.10 3ngf s ILE 154 Cb 0.17 -0.57 0.03 0.00 0.15 0.00 0.00 42.46 42.24 3ngf s ILE 154 CO 0.78 0.22 0.80 1.33 -2.11 0.00 0.00 174.94 175.96 3ngf n VAL 155 N 5.14 0.37 -4.48 4.00 0.24 -1.26 -1.79 118.33 120.54 3ngf n VAL 155 Ca -0.07 -0.41 -0.21 0.00 -2.04 0.00 0.00 64.34 61.61 3ngf n VAL 155 Cb 0.50 0.63 -0.15 0.00 -1.47 0.00 0.00 33.84 33.35 3ngf n VAL 155 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 3ngf s HIS 156 N -0.48 1.08 -0.00 6.34 3.76 -1.26 -4.68 115.29 120.05 3ngf s HIS 156 Ca 0.04 -0.26 -0.25 0.00 -0.15 0.00 0.00 55.06 54.44 3ngf s HIS 156 Cb 0.03 -0.74 -0.18 0.00 1.11 0.00 0.00 32.58 32.80 3ngf s HIS 156 CO 0.00 -0.09 1.26 1.96 -0.85 0.00 0.00 174.74 177.02 3ngf h GLN 157 N 6.25 -0.17 0.00 1.40 1.08 -1.96 -2.14 115.11 119.57 3ngf h GLN 157 Ca -0.33 0.01 -0.09 0.00 -1.45 0.00 0.00 58.65 56.80 3ngf h GLN 157 Cb 1.17 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.63 3ngf h GLN 157 CO 0.49 0.20 -0.41 -0.07 -0.95 0.00 0.00 178.83 178.08 3ngf h LEU 158 N -0.59 0.00 -0.52 1.46 3.38 -1.99 -1.14 115.31 115.92 3ngf h LEU 158 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3ngf h LEU 158 Cb 0.45 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3ngf h LEU 158 CO 0.03 0.41 0.27 -0.08 0.09 0.00 0.00 178.44 179.16 3ngf h GLU 159 N 0.00 0.73 -0.69 1.13 4.81 -1.99 -1.09 114.58 117.48 3ngf h GLU 159 Ca -0.00 -0.10 -0.06 0.00 -0.13 0.00 0.00 59.36 59.07 3ngf h GLU 159 Cb 0.85 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.06 3ngf h GLU 159 CO 0.05 0.59 0.18 0.00 -0.73 0.00 0.00 179.01 179.10 3ngf h ALA 160 N 1.11 1.01 -0.70 2.92 0.00 -0.67 -1.68 119.26 121.25 3ngf h ALA 160 Ca 0.18 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.90 3ngf h ALA 160 Cb 0.08 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 3ngf h ALA 160 CO -0.03 0.65 0.42 0.28 0.00 0.00 0.00 179.25 180.57 3ngf h VAL 161 N 1.04 1.04 -0.72 0.00 2.07 -0.84 -0.87 116.25 117.97 3ngf h VAL 161 Ca 0.22 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 3ngf h VAL 161 Cb 0.34 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 3ngf h VAL 161 CO -0.00 0.15 0.37 1.23 0.02 0.00 0.00 177.57 179.34 3ngf h GLY 162 N 0.80 1.09 1.06 2.17 0.00 -0.75 -0.80 103.07 106.63 3ngf h GLY 162 Ca 0.30 -0.51 -0.07 0.00 0.00 0.00 0.00 47.33 47.04 3ngf h GLY 162 CO -0.14 0.49 0.15 1.41 0.00 0.00 0.00 176.54 178.45 3ngf h LEU 163 N 1.00 1.04 -0.78 3.11 3.38 -0.83 -2.13 115.31 120.09 3ngf h LEU 163 Ca 0.25 -0.24 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 3ngf h LEU 163 Cb 0.07 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3ngf h LEU 163 CO -0.04 1.01 0.05 0.58 0.09 0.00 0.00 178.44 180.14 3ngf h VAL 164 N 1.02 1.26 -0.96 1.22 2.07 -0.93 -1.39 116.25 118.53 3ngf h VAL 164 Ca 0.21 -1.04 0.04 0.00 0.82 0.00 0.00 66.70 66.72 3ngf h VAL 164 Cb 0.39 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 30.85 3ngf h VAL 164 CO 0.01 0.38 0.63 0.50 0.02 0.00 0.00 177.57 179.11 3ngf h LYS 165 N 0.91 1.18 -0.42 1.57 3.64 -0.83 -2.03 116.57 120.59 3ngf h LYS 165 Ca 0.18 -0.07 -0.10 0.00 -1.27 0.00 0.00 60.65 59.39 3ngf h LYS 165 Cb 0.46 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 3ngf h LYS 165 CO 0.02 0.78 -0.13 0.00 -2.27 0.00 0.00 179.45 177.85 3ngf h ARG 166 N 1.22 0.77 -0.95 1.90 3.08 -0.80 -2.77 114.38 116.83 3ngf h ARG 166 Ca 0.38 -0.27 0.04 0.00 0.07 0.00 0.00 59.98 60.21 3ngf h ARG 166 Cb 0.00 -0.06 -0.06 0.00 0.08 0.00 0.00 29.97 29.94 3ngf h ARG 166 CO -0.12 0.87 0.61 0.28 -1.07 0.00 0.00 179.97 180.54 3ngf h VAL 167 N 0.69 1.15 -5.53 2.04 2.07 -0.60 -3.47 116.25 112.60 3ngf h VAL 167 Ca 0.11 -0.40 -0.28 0.00 0.82 0.00 0.00 66.70 66.95 3ngf h VAL 167 Cb 0.62 -0.13 0.19 0.00 -1.52 0.00 0.00 31.29 30.44 3ngf h VAL 167 CO 0.04 0.22 -0.83 -3.20 0.02 0.00 0.00 177.57 173.81 3ngf n ASN 168 N -4.49 -5.20 -3.79 0.57 5.15 -0.84 -4.84 115.26 101.82 3ngf n ASN 168 Ca 0.13 -0.69 -0.14 0.00 -0.60 0.00 0.00 54.58 53.28 3ngf n ASN 168 Cb 0.10 -5.14 -0.15 0.00 -0.53 0.00 0.00 39.78 34.06 3ngf n ASN 168 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3ngf s ARG 169 N -4.73 0.02 0.45 1.20 1.81 -1.26 -5.07 118.95 111.37 3ngf s ARG 169 Ca 0.32 0.21 0.14 0.00 -1.72 0.00 0.00 55.73 54.68 3ngf s ARG 169 Cb -0.04 -0.15 1.00 0.00 -0.45 0.00 0.00 34.95 35.30 3ngf s ARG 169 CO 0.74 -0.12 1.99 -1.35 -0.68 0.00 0.00 175.30 175.87 3ngf h PRO 170 N 6.95 0.00 -1.46 3.54 0.11 -1.98 -3.10 132.00 136.06 3ngf h PRO 170 Ca -0.39 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.19 3ngf h PRO 170 Cb 1.15 0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.05 3ngf h PRO 170 CO 0.46 0.19 0.65 0.27 -0.21 0.00 0.00 178.00 179.36 3ngf n ASN 171 N -4.31 7.04 -3.93 -2.05 6.94 -1.26 -4.82 115.26 112.87 3ngf n ASN 171 Ca -0.02 -3.44 -0.16 0.00 -0.02 0.00 0.00 54.58 50.94 3ngf n ASN 171 Cb 0.25 -1.06 -0.15 0.00 -2.36 0.00 0.00 39.78 36.46 3ngf n ASN 171 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3ngf s VAL 172 N -3.52 0.39 0.32 3.53 1.01 -1.17 -1.68 120.40 119.27 3ngf s VAL 172 Ca 0.50 -0.17 -0.10 0.00 0.00 0.00 0.00 61.98 62.21 3ngf s VAL 172 Cb 0.38 -0.36 0.04 0.00 0.00 0.00 0.00 36.38 36.45 3ngf s VAL 172 CO -0.09 0.13 0.59 0.00 0.00 0.00 0.00 175.10 175.73 3ngf n ALA 173 N 3.22 -1.19 -2.71 5.51 0.00 -0.88 -4.96 120.51 119.50 3ngf n ALA 173 Ca -0.16 -1.10 -0.36 0.00 0.00 0.00 0.00 53.44 51.82 3ngf n ALA 173 Cb 0.56 0.88 -0.06 0.00 0.00 0.00 0.00 19.45 20.84 3ngf n ALA 173 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3ngf s VAL 174 N -2.38 5.28 -0.40 0.00 1.01 -0.49 -1.87 120.40 121.55 3ngf s VAL 174 Ca 0.15 0.37 -0.16 0.00 0.00 0.00 0.00 61.98 62.34 3ngf s VAL 174 Cb -0.03 -3.56 0.02 0.00 0.00 0.00 0.00 36.38 32.80 3ngf s VAL 174 CO 0.11 0.49 0.38 -1.58 0.00 0.00 0.00 175.10 174.50 3ngf s GLN 175 N -1.39 3.14 -0.68 2.72 0.74 0.21 -1.97 119.66 122.43 3ngf s GLN 175 Ca 0.23 -0.78 -0.17 0.00 0.05 0.00 0.00 55.36 54.70 3ngf s GLN 175 Cb -0.14 -3.94 0.15 0.00 1.10 0.00 0.00 33.01 30.17 3ngf s GLN 175 CO 0.12 -0.77 0.72 -1.17 -0.55 0.00 0.00 175.29 173.64 3ngf s LEU 176 N 1.98 5.93 -0.39 3.68 2.96 -0.35 -4.12 118.68 128.38 3ngf s LEU 176 Ca 0.10 -1.94 -0.21 0.00 -0.22 0.00 0.00 54.13 51.86 3ngf s LEU 176 Cb -0.18 -2.26 0.01 0.00 0.50 0.00 0.00 46.19 44.26 3ngf s LEU 176 CO 0.12 -0.90 0.66 -0.62 -1.32 0.00 0.00 176.35 174.30 3ngf s ASP 177 N 3.22 6.40 0.51 3.68 -1.08 -1.26 -1.60 116.67 126.54 3ngf s ASP 177 Ca 0.13 -0.00 0.30 0.00 -0.52 0.00 0.00 52.55 52.46 3ngf s ASP 177 Cb -0.20 -2.34 1.22 0.00 -1.46 0.00 0.00 42.92 40.14 3ngf s ASP 177 CO -0.01 -0.69 1.94 -0.07 0.52 0.00 0.00 175.17 176.86 3ngf h LEU 178 N 9.57 0.00 0.29 -1.34 3.38 -1.47 -0.26 115.31 125.49 3ngf h LEU 178 Ca -0.26 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 3ngf h LEU 178 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3ngf h LEU 178 CO 0.87 0.10 -0.14 0.22 0.09 0.00 0.00 178.44 179.58 3ngf h TYR 179 N 0.00 -0.36 -0.43 1.13 3.20 -1.79 -0.78 116.97 117.93 3ngf h TYR 179 Ca -0.00 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.81 3ngf h TYR 179 Cb 0.58 0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.95 3ngf h TYR 179 CO 0.00 -0.11 0.07 0.45 -1.64 0.00 0.00 178.16 176.93 3ngf h HIS 180 N -0.57 0.76 -0.76 -3.82 3.86 -1.76 -2.59 115.15 110.28 3ngf h HIS 180 Ca -0.04 -0.11 0.04 0.00 -1.16 0.00 0.00 60.37 59.11 3ngf h HIS 180 Cb 0.42 -0.21 -0.05 0.00 1.06 0.00 0.00 27.41 28.63 3ngf h HIS 180 CO -0.01 0.73 0.47 0.00 0.86 0.00 0.00 177.93 179.98 3ngf h ALA 181 N 0.94 1.00 -0.70 2.45 0.00 -1.07 -0.97 119.26 120.91 3ngf h ALA 181 Ca 0.13 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3ngf h ALA 181 Cb 0.38 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3ngf h ALA 181 CO 0.01 0.24 0.18 0.37 0.00 0.00 0.00 179.25 180.04 3ngf h GLN 182 N 0.90 1.10 -0.33 0.00 5.75 -1.03 0.15 115.11 121.65 3ngf h GLN 182 Ca 0.31 -0.25 -0.11 0.00 -0.15 0.00 0.00 58.65 58.45 3ngf h GLN 182 Cb 0.07 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.46 3ngf h GLN 182 CO -0.13 0.97 -0.24 0.82 -2.65 0.00 0.00 178.83 177.60 3ngf h ILE 183 N 1.05 1.29 0.08 2.39 5.03 -1.09 -3.30 117.51 122.96 3ngf h ILE 183 Ca 0.22 -1.38 -0.34 0.00 -0.12 0.00 0.00 64.86 63.23 3ngf h ILE 183 Cb 0.35 1.46 -0.03 0.00 -3.03 0.00 0.00 36.82 35.57 3ngf h ILE 183 CO 0.00 0.45 -1.93 0.23 -0.68 0.00 0.00 178.15 176.22 3ngf n MET 184 N -4.27 0.71 0.00 2.37 2.81 -0.40 -4.83 117.12 113.51 3ngf n MET 184 Ca -0.03 0.26 0.00 0.00 -1.81 0.00 0.00 57.70 56.12 3ngf n MET 184 Cb 0.44 -1.73 0.00 0.00 -0.71 0.00 0.00 33.22 31.23 3ngf n MET 184 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3ngf n ASP 185 N -3.32 1.60 -0.16 7.83 8.00 0.37 -5.06 116.55 125.81 3ngf n ASP 185 Ca -0.28 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.22 3ngf n ASP 185 Cb 1.05 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.15 3ngf n ASP 185 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ngf n GLY 186 N 3.11 -0.35 3.85 0.44 0.00 -0.27 -4.96 105.19 107.01 3ngf n GLY 186 Ca 0.00 -1.05 -0.27 0.00 0.00 0.00 0.00 46.02 44.70 3ngf n GLY 186 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ngf n ASP 187 N -1.76 -1.90 -0.09 1.61 2.03 -1.26 -4.80 116.55 110.38 3ngf n ASP 187 Ca 0.00 -1.00 -0.11 0.00 0.52 0.00 0.00 54.79 54.21 3ngf n ASP 187 Cb 0.00 -3.23 0.03 0.00 -0.72 0.00 0.00 41.12 37.20 3ngf n ASP 187 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3ngf h LEU 188 N -1.88 0.87 -0.06 -2.67 3.38 -1.95 -0.50 115.31 112.50 3ngf h LEU 188 Ca -0.64 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 56.94 3ngf h LEU 188 Cb 1.37 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 3ngf h LEU 188 CO 0.57 1.14 0.03 0.74 0.09 0.00 0.00 178.44 181.02 3ngf h THR 189 N 0.68 1.10 -0.03 0.22 2.02 -2.00 -0.02 112.91 114.89 3ngf h THR 189 Ca 0.06 -0.28 -0.12 0.00 0.77 0.00 0.00 66.41 66.84 3ngf h THR 189 Cb 0.93 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 68.49 3ngf h THR 189 CO 0.09 0.08 -0.53 0.03 0.37 0.00 0.00 175.52 175.55 3ngf h ARG 190 N -0.01 0.08 -0.13 6.66 2.47 -1.94 -2.01 114.38 119.50 3ngf h ARG 190 Ca 0.02 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.67 3ngf h ARG 190 Cb 0.10 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.42 3ngf h ARG 190 CO -0.00 0.59 -0.01 1.25 0.56 0.00 0.00 179.97 182.36 3ngf h LEU 191 N 0.06 0.24 -0.56 3.04 5.85 -0.86 0.06 115.31 123.15 3ngf h LEU 191 Ca -0.00 -0.33 0.05 0.00 0.84 0.00 0.00 57.88 58.43 3ngf h LEU 191 Cb 0.96 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.88 3ngf h LEU 191 CO 0.07 0.52 0.29 0.40 -0.34 0.00 0.00 178.44 179.39 3ngf h ILE 192 N -0.04 0.97 -0.80 4.05 2.04 -0.90 0.16 117.51 123.00 3ngf h ILE 192 Ca 0.04 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 3ngf h ILE 192 Cb 0.40 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 3ngf h ILE 192 CO 0.01 0.10 0.37 -0.33 0.00 0.00 0.00 178.15 178.30 3ngf h GLU 193 N 0.56 1.16 -0.39 2.37 5.08 -1.26 -1.05 114.58 121.05 3ngf h GLU 193 Ca 0.25 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.36 3ngf h GLU 193 Cb 0.14 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 3ngf h GLU 193 CO -0.16 0.90 -0.04 0.87 -1.00 0.00 0.00 179.01 179.58 3ngf h LYS 194 N 1.13 0.65 -0.05 2.33 1.57 -0.41 -3.02 116.57 118.78 3ngf h LYS 194 Ca 0.27 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3ngf h LYS 194 Cb 0.14 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.37 3ngf h LYS 194 CO -0.03 0.70 0.00 -1.33 -0.57 0.00 0.00 179.45 178.22 3ngf n MET 195 N -4.22 1.58 -1.65 3.15 2.81 0.53 -4.96 117.12 114.36 3ngf n MET 195 Ca 0.02 -0.85 -0.50 0.00 -1.81 0.00 0.00 57.70 54.56 3ngf n MET 195 Cb 0.30 -1.46 -0.05 0.00 -0.71 0.00 0.00 33.22 31.30 3ngf n MET 195 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3ngf n ASN 196 N 0.04 2.58 0.00 7.83 5.15 -0.46 -0.50 115.26 129.89 3ngf n ASN 196 Ca 0.19 1.08 0.00 0.00 -0.60 0.00 0.00 54.58 55.25 3ngf n ASN 196 Cb 0.31 -1.31 0.00 0.00 -0.53 0.00 0.00 39.78 38.25 3ngf n ASN 196 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3ngf n GLY 197 N 3.33 0.87 0.10 8.20 0.00 -1.26 -4.87 105.19 111.55 3ngf n GLY 197 Ca 0.19 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.25 3ngf n GLY 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ngf n ALA 198 N 0.43 2.83 -2.88 4.61 0.00 0.34 -4.98 120.51 120.86 3ngf n ALA 198 Ca 0.00 -0.31 -0.32 0.00 0.00 0.00 0.00 53.44 52.81 3ngf n ALA 198 Cb 0.00 -0.27 -0.16 0.00 0.00 0.00 0.00 19.45 19.02 3ngf n ALA 198 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3ngf s PHE 199 N -1.41 2.54 -1.20 0.00 -0.71 -1.24 -1.40 117.98 114.55 3ngf s PHE 199 Ca 0.05 -0.76 0.13 0.00 -1.04 0.00 0.00 56.93 55.31 3ngf s PHE 199 Cb 0.06 -1.66 0.01 0.00 -1.21 0.00 0.00 43.02 40.22 3ngf s PHE 199 CO 0.25 -0.24 0.75 0.43 -1.34 0.00 0.00 175.22 175.06 3ngf n SER 200 N 3.12 1.47 -3.69 1.98 7.64 -0.83 -4.92 113.62 118.39 3ngf n SER 200 Ca -0.18 -1.23 -0.14 0.00 1.01 0.00 0.00 58.87 58.32 3ngf n SER 200 Cb 0.52 0.41 -0.08 0.00 -1.01 0.00 0.00 64.21 64.05 3ngf n SER 200 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 3ngf s HIS 201 N -1.52 -0.40 0.05 1.43 5.65 -1.25 -4.66 115.29 114.59 3ngf s HIS 201 Ca 0.11 0.80 0.06 0.00 0.25 0.00 0.00 55.06 56.28 3ngf s HIS 201 Cb 0.10 0.19 -0.03 0.00 -1.18 0.00 0.00 32.58 31.67 3ngf s HIS 201 CO 0.30 -0.39 -0.18 0.08 -0.65 0.00 0.00 174.74 173.90 3ngf s VAL 202 N -0.76 1.43 0.09 0.89 1.01 -1.15 -1.21 120.40 120.71 3ngf s VAL 202 Ca -0.08 -1.19 0.04 0.00 0.00 0.00 0.00 61.98 60.75 3ngf s VAL 202 Cb -0.03 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.03 3ngf s VAL 202 CO 0.04 0.06 -0.12 -1.10 0.00 0.00 0.00 175.10 173.98 3ngf s GLN 203 N -1.32 0.85 0.07 2.72 -0.21 -0.63 -0.14 119.66 120.99 3ngf s GLN 203 Ca 0.04 -1.10 0.03 0.00 0.02 0.00 0.00 55.36 54.36 3ngf s GLN 203 Cb -0.09 -0.66 -0.03 0.00 1.00 0.00 0.00 33.01 33.24 3ngf s GLN 203 CO 0.02 0.12 -0.10 0.96 -2.12 0.00 0.00 175.29 174.17 3ngf s ILE 204 N -2.03 0.78 -0.14 1.08 -4.36 -0.25 -1.03 121.20 115.26 3ngf s ILE 204 Ca 0.03 -1.32 -0.30 0.00 -0.26 0.00 0.00 60.65 58.80 3ngf s ILE 204 Cb -0.05 -0.96 0.13 0.00 1.25 0.00 0.00 42.46 42.82 3ngf s ILE 204 CO 0.01 -0.42 1.00 0.00 0.24 0.00 0.00 174.94 175.78 3ngf s ALA 205 N -1.75 -1.93 0.64 2.27 0.00 -1.26 -2.69 121.76 117.04 3ngf s ALA 205 Ca -0.03 1.48 -0.17 0.00 0.00 0.00 0.00 51.96 53.24 3ngf s ALA 205 Cb -0.07 -0.47 -0.01 0.00 0.00 0.00 0.00 23.12 22.56 3ngf s ALA 205 CO 0.00 -0.40 1.21 -1.54 0.00 0.00 0.00 175.76 175.03 3ngf s SER 206 N -1.46 4.87 -0.12 0.00 1.04 0.50 -4.51 113.70 114.03 3ngf s SER 206 Ca 0.01 2.37 0.02 0.00 0.48 0.00 0.00 55.95 58.82 3ngf s SER 206 Cb -0.01 -2.59 -0.01 0.00 0.10 0.00 0.00 66.02 63.51 3ngf s SER 206 CO -0.01 -1.81 -0.17 -0.69 0.98 0.00 0.00 173.24 171.54 3ngf s VAL 207 N -1.73 2.68 -1.86 5.02 1.01 -1.26 -0.67 120.40 123.59 3ngf s VAL 207 Ca 0.76 -0.80 0.24 0.00 0.00 0.00 0.00 61.98 62.18 3ngf s VAL 207 Cb -0.30 -2.09 0.09 0.00 0.00 0.00 0.00 36.38 34.08 3ngf s VAL 207 CO 0.37 0.54 1.28 -0.81 0.00 0.00 0.00 175.10 176.48 3ngf n PRO 208 N 3.47 0.98 0.00 2.72 -0.04 -1.26 -1.01 135.00 139.86 3ngf n PRO 208 Ca -0.18 -0.73 0.13 0.00 -0.04 0.00 0.00 63.50 62.67 3ngf n PRO 208 Cb 0.53 -1.48 0.28 0.00 -0.04 0.00 0.00 33.50 32.78 3ngf n PRO 208 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3ngf n ASP 209 N -0.37 1.96 -3.33 3.54 8.00 -1.23 -4.95 116.55 120.16 3ngf n ASP 209 Ca 0.10 -1.54 -0.19 0.00 0.71 0.00 0.00 54.79 53.87 3ngf n ASP 209 Cb 0.41 0.11 0.08 0.00 -0.02 0.00 0.00 41.12 41.70 3ngf n ASP 209 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 3ngf n ARG 210 N 0.34 -6.89 -0.73 -1.24 0.63 0.16 -4.91 116.66 104.02 3ngf n ARG 210 Ca 0.15 0.78 0.00 0.00 -0.92 0.00 0.00 57.85 57.86 3ngf n ARG 210 Cb 0.45 -5.65 0.00 0.00 0.45 0.00 0.00 32.46 27.71 3ngf n ARG 210 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 3ngf n HIS 211 N -4.43 -0.61 -1.43 -0.14 8.25 -1.26 -0.67 115.22 114.94 3ngf n HIS 211 Ca -0.11 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.91 3ngf n HIS 211 Cb 0.60 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.71 3ngf n HIS 211 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3ngf n GLU 212 N -0.20 0.42 -1.08 -0.41 4.71 -1.26 -0.37 120.64 122.45 3ngf n GLU 212 Ca 0.00 0.15 -0.15 0.00 -0.01 0.00 0.00 57.16 57.15 3ngf n GLU 212 Cb 0.00 -1.33 -0.11 0.00 -1.01 0.00 0.00 31.44 28.99 3ngf n GLU 212 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 3ngf n PRO 213 N 0.85 2.00 -0.32 3.49 -0.04 -1.26 -3.48 135.00 136.24 3ngf n PRO 213 Ca 0.13 -1.30 0.02 0.00 -0.04 0.00 0.00 63.50 62.31 3ngf n PRO 213 Cb 0.36 -1.92 0.03 0.00 -0.04 0.00 0.00 33.50 31.93 3ngf n PRO 213 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3ngf n ASP 214 N 1.84 0.62 -4.00 3.54 5.75 -1.26 -4.60 116.55 118.44 3ngf n ASP 214 Ca 0.40 -2.12 -0.10 0.00 -0.01 0.00 0.00 54.79 52.96 3ngf n ASP 214 Cb 0.76 -0.22 -0.08 0.00 -1.03 0.00 0.00 41.12 40.55 3ngf n ASP 214 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 3ngf s GLU 215 N -0.70 1.12 0.57 0.11 -1.05 -1.23 -5.12 118.70 112.41 3ngf s GLU 215 Ca 0.07 -1.23 0.00 0.00 -0.15 0.00 0.00 54.97 53.66 3ngf s GLU 215 Cb 0.06 0.35 0.00 0.00 -0.44 0.00 0.00 34.13 34.10 3ngf s GLU 215 CO 0.01 -0.39 0.00 0.41 0.95 0.00 0.00 175.26 176.23 3ngf n GLY 216 N -0.19 -1.85 0.18 -3.83 0.00 -1.26 -4.44 105.19 93.80 3ngf n GLY 216 Ca -0.07 -1.74 0.13 0.00 0.00 0.00 0.00 46.02 44.34 3ngf n GLY 216 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3ngf h GLU 217 N 0.00 0.00 -5.95 1.61 4.11 -1.48 -3.45 114.58 109.43 3ngf h GLU 217 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.36 58.81 3ngf h GLU 217 Cb 0.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 3ngf h GLU 217 CO 0.00 0.00 -0.38 -0.51 0.07 0.00 0.00 179.01 178.19 3ngf s LEU 218 N -5.58 4.36 -0.89 3.06 1.43 -1.26 -5.05 118.68 114.74 3ngf s LEU 218 Ca 0.07 0.56 -0.16 0.00 -1.03 0.00 0.00 54.13 53.57 3ngf s LEU 218 Cb 0.08 -2.78 0.18 0.00 0.03 0.00 0.00 46.19 43.70 3ngf s LEU 218 CO 0.62 0.22 0.94 0.21 0.23 0.00 0.00 176.35 178.57 3ngf s ASN 219 N -1.84 6.73 0.25 2.29 2.47 -1.26 -4.78 114.94 118.80 3ngf s ASN 219 Ca 0.30 -2.45 -0.03 0.00 0.42 0.00 0.00 52.86 51.09 3ngf s ASN 219 Cb -0.13 -2.29 0.29 0.00 -1.45 0.00 0.00 41.25 37.66 3ngf s ASN 219 CO 0.18 -0.77 1.75 1.88 -3.72 0.00 0.00 177.10 176.42 3ngf h TYR 220 N 8.18 0.93 -0.97 0.43 0.05 -1.96 -2.45 116.97 121.18 3ngf h TYR 220 Ca 0.14 -0.12 0.13 0.00 0.05 0.00 0.00 58.73 58.92 3ngf h TYR 220 Cb 1.03 -0.26 -0.09 0.00 1.01 0.00 0.00 36.73 38.42 3ngf h TYR 220 CO 1.09 0.82 0.59 -1.35 -1.05 0.00 0.00 178.16 178.26 3ngf h PRO 221 N 0.82 0.88 -0.22 4.88 0.11 -1.92 0.94 132.00 137.50 3ngf h PRO 221 Ca 0.16 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.21 3ngf h PRO 221 Cb 0.42 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 3ngf h PRO 221 CO 0.01 0.58 0.11 -0.92 -0.21 0.00 0.00 178.00 177.58 3ngf h TYR 222 N 0.91 0.32 -0.31 0.65 3.20 -1.90 -2.27 116.97 117.56 3ngf h TYR 222 Ca 0.49 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.32 3ngf h TYR 222 Cb 0.54 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 3ngf h TYR 222 CO -0.02 0.31 0.07 -0.07 -1.64 0.00 0.00 178.16 176.81 3ngf h LEU 223 N 0.23 0.41 -1.03 2.82 3.38 -0.73 -0.30 115.31 120.09 3ngf h LEU 223 Ca 0.08 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3ngf h LEU 223 Cb 0.11 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3ngf h LEU 223 CO -0.01 0.43 0.28 -0.26 0.09 0.00 0.00 178.44 178.97 3ngf h PHE 224 N 0.45 0.98 -0.26 1.13 0.04 -0.67 -1.52 116.94 117.09 3ngf h PHE 224 Ca 0.11 -0.05 -0.10 0.00 2.80 0.00 0.00 57.97 60.72 3ngf h PHE 224 Cb 0.19 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.02 3ngf h PHE 224 CO 0.01 0.74 -0.27 0.66 -0.60 0.00 0.00 178.31 178.84 3ngf h SER 225 N 0.96 0.51 -0.25 2.17 4.64 -0.51 -1.62 113.55 119.46 3ngf h SER 225 Ca 0.23 -0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.35 3ngf h SER 225 Cb 0.16 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 3ngf h SER 225 CO -0.02 0.77 0.11 0.58 -0.87 0.00 0.00 176.83 177.40 3ngf h VAL 226 N 0.44 1.16 -0.68 0.95 2.07 -0.78 -0.07 116.25 119.33 3ngf h VAL 226 Ca 0.06 -0.47 0.06 0.00 0.82 0.00 0.00 66.70 67.18 3ngf h VAL 226 Cb 0.71 1.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.42 3ngf h VAL 226 CO 0.05 0.16 0.38 -0.07 0.02 0.00 0.00 177.57 178.11 3ngf h LEU 227 N 0.26 0.55 -0.49 2.57 3.38 -1.00 -1.58 115.31 119.00 3ngf h LEU 227 Ca 0.08 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 3ngf h LEU 227 Cb 0.15 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3ngf h LEU 227 CO -0.01 0.35 0.23 -0.33 0.09 0.00 0.00 178.44 178.77 3ngf h GLU 228 N 0.68 0.70 -0.19 1.13 4.39 -1.05 -1.24 114.58 119.00 3ngf h GLU 228 Ca 0.31 -0.11 -0.02 0.00 0.34 0.00 0.00 59.36 59.89 3ngf h GLU 228 Cb 0.22 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 3ngf h GLU 228 CO -0.20 0.59 0.04 0.66 -1.16 0.00 0.00 179.01 178.95 3ngf h SER 229 N 0.64 0.24 -0.09 1.42 4.64 -0.23 -1.08 113.55 119.08 3ngf h SER 229 Ca 0.17 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3ngf h SER 229 Cb 0.12 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3ngf h SER 229 CO -0.02 0.25 0.00 1.33 -0.87 0.00 0.00 176.83 177.52 3ngf n VAL 230 N -4.42 0.11 -1.83 0.95 0.24 -0.67 -4.94 118.33 107.76 3ngf n VAL 230 Ca -0.00 -0.28 -0.04 0.00 -2.04 0.00 0.00 64.34 61.98 3ngf n VAL 230 Cb 0.14 0.36 -0.01 0.00 -1.47 0.00 0.00 33.84 32.87 3ngf n VAL 230 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ngf n GLY 231 N 1.13 0.33 3.70 7.63 0.00 -0.41 -4.92 105.19 112.65 3ngf n GLY 231 Ca 0.18 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 3ngf n GLY 231 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3ngf s TYR 232 N -2.18 2.95 -0.08 1.61 5.04 -0.49 -4.90 117.35 119.30 3ngf s TYR 232 Ca 0.00 0.78 0.12 0.00 -2.44 0.00 0.00 57.07 55.53 3ngf s TYR 232 Cb 0.00 -3.73 0.21 0.00 0.35 0.00 0.00 41.96 38.79 3ngf s TYR 232 CO 0.00 -2.70 1.11 0.54 -1.34 0.00 0.00 175.55 173.15 3ngf n ARG 233 N 4.77 0.74 0.00 4.97 5.12 -1.26 -4.70 116.66 126.30 3ngf n ARG 233 Ca 0.13 -2.05 0.00 0.00 -1.93 0.00 0.00 57.85 54.00 3ngf n ARG 233 Cb 0.42 -1.02 0.00 0.00 -1.16 0.00 0.00 32.46 30.71 3ngf n ARG 233 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ngf n GLY 234 N -0.71 0.00 3.84 -0.13 0.00 -1.26 -5.05 105.19 101.88 3ngf n GLY 234 Ca 0.10 -1.68 -0.22 0.00 0.00 0.00 0.00 46.02 44.22 3ngf n GLY 234 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3ngf s TRP 235 N 0.41 3.15 -0.29 1.61 0.52 -1.26 -4.49 118.94 118.58 3ngf s TRP 235 Ca 0.00 -0.10 -0.00 0.00 0.02 0.00 0.00 56.10 56.02 3ngf s TRP 235 Cb 0.00 -1.42 0.05 0.00 -1.15 0.00 0.00 33.47 30.95 3ngf s TRP 235 CO 0.00 0.51 -0.03 0.08 0.02 0.00 0.00 176.95 177.53 3ngf s VAL 236 N -2.11 2.75 0.03 4.03 1.01 0.32 -2.94 120.40 123.49 3ngf s VAL 236 Ca 0.33 -1.47 -0.26 0.00 0.00 0.00 0.00 61.98 60.58 3ngf s VAL 236 Cb -0.08 -2.60 -0.05 0.00 0.00 0.00 0.00 36.38 33.66 3ngf s VAL 236 CO 0.25 -0.09 0.82 -0.83 0.00 0.00 0.00 175.10 175.25 3ngf s GLY 237 N 1.21 2.81 -1.21 4.51 0.00 0.80 -1.04 107.32 114.40 3ngf s GLY 237 Ca -0.06 0.34 -0.09 0.00 0.00 0.00 0.00 44.72 44.91 3ngf s GLY 237 CO -0.02 1.26 1.63 0.00 0.00 0.00 0.00 173.10 175.96 3ngf n GLU 239 N 3.63 3.94 -4.28 0.00 2.13 -1.09 -3.37 120.64 121.59 3ngf n GLU 239 Ca 0.35 -3.98 -0.17 0.00 0.66 0.00 0.00 57.16 54.02 3ngf n GLU 239 Cb 0.37 -2.76 -0.10 0.00 0.27 0.00 0.00 31.44 29.22 3ngf n GLU 239 CO 0.00 0.00 0.00 1.52 -0.41 0.00 0.00 177.13 178.24 3ngf s TYR 240 N -0.83 1.45 -0.36 4.31 -0.85 -1.26 -4.59 117.35 115.22 3ngf s TYR 240 Ca 0.36 -0.63 -0.18 0.00 -0.52 0.00 0.00 57.07 56.10 3ngf s TYR 240 Cb 0.06 -0.72 0.00 0.00 0.38 0.00 0.00 41.96 41.68 3ngf s TYR 240 CO 0.04 0.19 0.51 -0.80 -1.52 0.00 0.00 175.55 173.97 3ngf s ASN 241 N -2.94 6.30 0.35 -0.18 0.01 0.16 -4.14 114.94 114.50 3ngf s ASN 241 Ca 0.15 -0.11 -0.27 0.00 -0.71 0.00 0.00 52.86 51.93 3ngf s ASN 241 Cb -0.01 -2.27 -0.12 0.00 0.41 0.00 0.00 41.25 39.26 3ngf s ASN 241 CO 0.03 -0.50 1.19 -2.65 -1.51 0.00 0.00 177.10 173.66 3ngf n PRO 242 N 5.76 1.84 -0.35 -0.60 -0.02 -1.26 -4.02 135.00 136.35 3ngf n PRO 242 Ca -0.05 0.65 0.06 0.00 -2.02 0.00 0.00 63.50 62.14 3ngf n PRO 242 Cb 0.49 -2.19 0.23 0.00 -0.02 0.00 0.00 33.50 32.00 3ngf n PRO 242 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ngf h ARG 243 N 2.25 0.94 0.00 -0.52 3.08 -1.95 -3.46 114.38 114.72 3ngf h ARG 243 Ca -0.45 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.55 3ngf h ARG 243 Cb 1.30 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 31.14 3ngf h ARG 243 CO 0.61 0.62 0.00 0.41 -1.07 0.00 0.00 179.97 180.54 3ngf n GLY 244 N -1.34 4.15 3.72 0.04 0.00 -1.26 -5.10 105.19 105.39 3ngf n GLY 244 Ca 0.18 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 3ngf n GLY 244 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ngf s LYS 245 N 3.75 4.18 0.17 1.61 2.20 -1.26 -4.90 119.74 125.48 3ngf s LYS 245 Ca 0.00 2.47 -0.22 0.00 -0.36 0.00 0.00 55.97 57.86 3ngf s LYS 245 Cb 0.00 -3.11 0.09 0.00 -1.51 0.00 0.00 37.83 33.30 3ngf s LYS 245 CO 0.00 -0.66 1.60 1.15 -0.36 0.00 0.00 175.35 177.08 3ngf h THR 246 N 3.89 0.22 0.00 3.43 2.02 -1.99 -1.89 112.91 118.59 3ngf h THR 246 Ca -0.43 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 66.68 3ngf h THR 246 Cb 1.20 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 3ngf h THR 246 CO 0.92 0.00 -0.32 -0.33 0.37 0.00 0.00 175.52 176.16 3ngf h GLU 247 N -0.21 0.00 0.00 6.66 3.07 -2.01 -1.95 114.58 120.15 3ngf h GLU 247 Ca 0.20 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.06 3ngf h GLU 247 Cb 0.53 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.44 3ngf h GLU 247 CO -0.59 0.32 0.00 0.77 -1.40 0.00 0.00 179.01 178.11 3ngf h SER 248 N 0.00 0.00 -0.22 1.42 0.02 -1.72 -2.68 113.55 110.36 3ngf h SER 248 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3ngf h SER 248 Cb 0.58 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.12 3ngf h SER 248 CO 0.04 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.34 3ngf n GLY 249 N -0.22 1.03 0.75 -3.77 0.00 -0.73 -4.62 105.19 97.63 3ngf n GLY 249 Ca 0.00 -0.62 0.03 0.00 0.00 0.00 0.00 46.02 45.44 3ngf n GLY 249 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ngf n LEU 250 N 1.03 2.07 -0.12 0.99 4.77 -1.01 -4.16 117.00 120.56 3ngf n LEU 250 Ca 0.17 -1.04 0.09 0.00 -0.03 0.00 0.00 56.01 55.20 3ngf n LEU 250 Cb 0.51 -0.37 0.43 0.00 -2.33 0.00 0.00 43.42 41.66 3ngf n LEU 250 CO 0.15 0.37 1.20 0.00 -1.33 0.00 0.00 177.39 177.78 3ngf h ALA 251 N 3.11 1.86 0.00 -1.18 0.00 -1.83 -1.69 119.26 119.53 3ngf h ALA 251 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3ngf h ALA 251 Cb 0.69 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3ngf h ALA 251 CO 0.09 0.01 -0.08 0.11 0.00 0.00 0.00 179.25 179.39 3ngf h TRP 252 N 0.57 0.00 0.00 0.00 5.08 -1.97 -2.30 115.95 117.32 3ngf h TRP 252 Ca 0.29 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.26 3ngf h TRP 252 Cb 0.40 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.56 3ngf h TRP 252 CO -0.00 0.08 -0.65 0.34 -1.28 0.00 0.00 178.44 176.92 3ngf n PHE 253 N -4.42 0.47 -0.25 0.12 7.35 -0.65 -4.40 117.46 115.67 3ngf n PHE 253 Ca -0.03 0.14 0.06 0.00 -0.76 0.00 0.00 57.45 56.86 3ngf n PHE 253 Cb 0.15 -0.59 0.19 0.00 0.35 0.00 0.00 39.48 39.58 3ngf n PHE 253 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3ngf h ALA 254 N 2.56 1.00 0.00 3.13 0.00 -1.24 0.62 119.26 125.34 3ngf h ALA 254 Ca 0.00 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3ngf h ALA 254 Cb 0.72 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 3ngf h ALA 254 CO 0.00 -0.33 -0.05 -1.35 0.00 0.00 0.00 179.25 177.52 3ngf h PRO 255 N 0.29 0.00 -0.02 0.00 0.11 -1.79 -3.18 132.00 127.41 3ngf h PRO 255 Ca 0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.54 3ngf h PRO 255 Cb 0.73 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.84 3ngf h PRO 255 CO -0.51 0.05 -0.12 0.66 -0.21 0.00 0.00 178.00 177.87 3ngf n TYR 256 N -3.47 0.00 -0.91 0.65 4.01 0.19 -5.05 117.16 112.58 3ngf n TYR 256 Ca -0.02 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.38 3ngf n TYR 256 Cb 0.17 0.00 0.09 0.00 -0.31 0.00 0.00 39.34 39.29 3ngf n TYR 256 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3ngf n ARG 257 N 0.80 -0.14 -0.70 -0.72 1.74 -1.10 -4.92 116.66 111.62 3ngf n ARG 257 Ca 0.11 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 3ngf n ARG 257 Cb 0.48 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 3ngf n ARG 257 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86