#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ngf s PRO 2 N 0.00 2.05 -0.17 2.12 0.02 -1.26 -5.03 135.00 132.74 3ngf s PRO 2 Ca 0.00 1.44 -0.06 0.00 0.02 0.00 0.00 61.00 62.40 3ngf s PRO 2 Cb 0.00 -1.85 -0.04 0.00 0.02 0.00 0.00 34.50 32.63 3ngf s PRO 2 CO 0.00 -1.84 0.05 -0.98 -0.33 0.00 0.00 177.00 173.90 3ngf s ARG 3 N -4.44 3.82 -0.08 5.54 1.70 -1.26 -5.02 118.95 119.21 3ngf s ARG 3 Ca 0.67 -0.36 -0.01 0.00 -0.47 0.00 0.00 55.73 55.55 3ngf s ARG 3 Cb -0.22 -3.13 -0.03 0.00 -0.57 0.00 0.00 34.95 30.99 3ngf s ARG 3 CO 0.51 0.34 -0.01 -0.06 -1.08 0.00 0.00 175.30 174.99 3ngf s PHE 4 N 0.18 3.12 -0.16 5.89 0.08 -1.26 -0.39 117.98 125.44 3ngf s PHE 4 Ca 0.04 0.16 -0.01 0.00 0.12 0.00 0.00 56.93 57.23 3ngf s PHE 4 Cb -0.12 -1.78 -0.01 0.00 -0.57 0.00 0.00 43.02 40.54 3ngf s PHE 4 CO 0.01 0.44 -0.12 0.00 -0.10 0.00 0.00 175.22 175.45 3ngf s ALA 5 N -0.86 2.64 0.17 5.36 0.00 -0.24 -4.07 121.76 124.77 3ngf s ALA 5 Ca 0.13 -0.98 -0.30 0.00 0.00 0.00 0.00 51.96 50.81 3ngf s ALA 5 Cb -0.11 -1.33 -0.08 0.00 0.00 0.00 0.00 23.12 21.60 3ngf s ALA 5 CO 0.02 0.04 1.32 0.00 0.00 0.00 0.00 175.76 177.15 3ngf s ALA 6 N 0.69 3.53 -0.46 0.00 0.00 -0.69 -0.59 121.76 124.25 3ngf s ALA 6 Ca -0.06 1.10 -0.24 0.00 0.00 0.00 0.00 51.96 52.76 3ngf s ALA 6 Cb -0.15 -3.49 0.03 0.00 0.00 0.00 0.00 23.12 19.50 3ngf s ALA 6 CO 0.02 -0.55 0.82 1.21 0.00 0.00 0.00 175.76 177.26 3ngf s ASN 7 N 0.55 6.42 0.00 0.00 3.84 -1.20 -0.80 114.94 123.76 3ngf s ASN 7 Ca 0.59 -0.09 0.30 0.00 0.21 0.00 0.00 52.86 53.87 3ngf s ASN 7 Cb -0.36 -2.40 1.60 0.00 -0.55 0.00 0.00 41.25 39.54 3ngf s ASN 7 CO 0.36 -0.96 2.09 0.18 -2.79 0.00 0.00 177.10 175.97 3ngf n LEU 8 N 6.84 0.00 0.10 3.21 4.77 0.19 -0.20 117.00 131.92 3ngf n LEU 8 Ca 0.03 0.23 -0.20 0.00 -0.03 0.00 0.00 56.01 56.03 3ngf n LEU 8 Cb 0.48 -0.23 -0.15 0.00 -2.33 0.00 0.00 43.42 41.20 3ngf n LEU 8 CO 0.60 -0.00 -0.28 0.28 -1.33 0.00 0.00 177.39 176.66 3ngf h SER 9 N 0.00 0.58 0.00 -1.43 0.02 -1.92 -3.40 113.55 107.40 3ngf h SER 9 Ca 0.00 -0.71 -0.22 0.00 -0.84 0.00 0.00 61.79 60.02 3ngf h SER 9 Cb 0.22 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.53 3ngf h SER 9 CO 0.00 1.57 -2.10 0.35 -1.14 0.00 0.00 176.83 175.51 3ngf n THR 10 N -3.58 0.82 -4.05 -2.27 -2.24 -1.10 -4.92 114.28 96.95 3ngf n THR 10 Ca -0.16 -0.65 -0.22 0.00 -2.27 0.00 0.00 64.05 60.75 3ngf n THR 10 Cb 1.07 -0.34 -0.03 0.00 -2.10 0.00 0.00 70.33 68.92 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 -2.71 3.15 -1.80 -0.78 -1.94 0.72 -4.39 119.30 111.54 3ngf s MET 11 Ca -0.08 -0.91 0.00 0.00 -1.71 0.00 0.00 55.69 52.99 3ngf s MET 11 Cb 0.07 -2.71 0.00 0.00 2.01 0.00 0.00 34.83 34.20 3ngf s MET 11 CO 0.75 0.42 0.00 1.19 -0.01 0.00 0.00 175.02 177.37 3ngf n PHE 12 N -1.19 -0.96 1.52 -0.03 3.72 -1.26 -4.54 117.46 114.71 3ngf n PHE 12 Ca -0.08 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.42 3ngf n PHE 12 Cb 0.57 -3.94 0.64 0.00 -0.94 0.00 0.00 39.48 35.81 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 -1.98 0.00 0.30 4.37 4.13 -1.26 -2.23 115.26 118.58 3ngf n ASN 13 Ca -0.25 -0.84 0.19 0.00 1.68 0.00 0.00 54.58 55.36 3ngf n ASN 13 Cb 0.69 0.00 0.92 0.00 -1.54 0.00 0.00 39.78 39.84 3ngf n ASN 13 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 3ngf h GLU 14 N 0.00 0.00 -5.51 3.52 3.07 -1.97 -3.44 114.58 110.25 3ngf h GLU 14 Ca 0.00 0.00 -0.44 0.00 -0.50 0.00 0.00 59.36 58.42 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 0.01 -0.72 0.14 -1.40 0.00 0.00 179.01 177.04 3ngf s VAL 15 N -3.92 1.67 0.84 3.13 -7.23 -0.95 -5.15 120.40 108.79 3ngf s VAL 15 Ca -0.02 -2.19 -0.11 0.00 -1.81 0.00 0.00 61.98 57.86 3ngf s VAL 15 Cb 0.11 -2.09 0.10 0.00 0.56 0.00 0.00 36.38 35.06 3ngf s VAL 15 CO 0.49 -0.56 1.13 -2.84 -0.31 0.00 0.00 175.10 173.01 3ngf s PRO 16 N -3.67 1.63 0.20 4.82 0.02 -1.26 -4.81 135.00 131.93 3ngf s PRO 16 Ca 0.23 1.44 -0.14 0.00 0.02 0.00 0.00 61.00 62.55 3ngf s PRO 16 Cb 0.00 -1.81 0.22 0.00 0.02 0.00 0.00 34.50 32.93 3ngf s PRO 16 CO 0.07 -2.15 1.64 0.35 -0.33 0.00 0.00 177.00 176.58 3ngf h PHE 17 N -1.38 -0.26 0.00 6.54 3.57 -1.92 -1.56 116.94 121.93 3ngf h PHE 17 Ca -0.44 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.08 3ngf h PHE 17 Cb 1.26 0.20 -0.00 0.00 2.79 0.00 0.00 35.95 40.20 3ngf h PHE 17 CO 0.53 -0.23 -0.14 -0.07 -2.23 0.00 0.00 178.31 176.16 3ngf h LEU 18 N 0.02 0.00 -0.08 0.59 3.38 -1.98 -1.14 115.31 116.09 3ngf h LEU 18 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 3ngf h LEU 18 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3ngf h LEU 18 CO -0.58 0.14 0.00 1.21 0.09 0.00 0.00 178.44 179.31 3ngf n GLU 19 N -4.22 0.17 0.21 1.13 2.13 -0.59 -3.71 120.64 115.74 3ngf n GLU 19 Ca -0.02 0.18 0.06 0.00 0.66 0.00 0.00 57.16 58.04 3ngf n GLU 19 Cb 0.22 -1.71 0.44 0.00 0.27 0.00 0.00 31.44 30.66 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 0.01 5.31 3.08 -1.15 -3.01 114.38 118.62 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 0.31 -0.01 0.74 -1.07 0.00 0.00 179.97 179.94 3ngf h PHE 21 N 0.00 -0.01 -0.49 3.04 0.04 -1.71 -0.94 116.94 116.86 3ngf h PHE 21 Ca -0.00 -0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.77 3ngf h PHE 21 Cb 0.67 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.80 3ngf h PHE 21 CO 0.00 0.07 0.32 -0.09 -0.60 0.00 0.00 178.31 178.01 3ngf h ARG 22 N -0.10 0.64 -0.71 1.51 2.43 -1.79 -1.59 114.38 114.77 3ngf h ARG 22 Ca -0.00 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 3ngf h ARG 22 Cb 0.09 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 3ngf h ARG 22 CO 0.00 0.42 0.32 -0.07 -1.51 0.00 0.00 179.97 179.13 3ngf h LEU 23 N 0.65 0.93 -0.33 3.80 3.38 -1.38 -0.04 115.31 122.33 3ngf h LEU 23 Ca 0.18 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 3ngf h LEU 23 Cb -0.06 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 3ngf h LEU 23 CO -0.05 0.81 0.04 0.00 0.09 0.00 0.00 178.44 179.33 3ngf h ALA 24 N 1.33 0.44 -0.67 1.53 0.00 -0.94 -1.64 119.26 119.31 3ngf h ALA 24 Ca 0.24 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3ngf h ALA 24 Cb 0.14 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3ngf h ALA 24 CO -0.03 0.15 0.18 0.00 0.00 0.00 0.00 179.25 179.54 3ngf h ALA 25 N 0.88 0.89 0.00 0.00 0.00 -1.04 -1.64 119.26 118.36 3ngf h ALA 25 Ca 0.10 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3ngf h ALA 25 Cb 0.37 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3ngf h ALA 25 CO 0.01 0.60 -0.20 0.93 0.00 0.00 0.00 179.25 180.59 3ngf h GLU 26 N 1.00 0.00 -0.00 0.00 5.08 -0.90 -1.23 114.58 118.53 3ngf h GLU 26 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3ngf h GLU 26 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3ngf h GLU 26 CO 0.00 0.20 -0.08 0.00 -1.00 0.00 0.00 179.01 178.13 3ngf n ALA 27 N -2.28 2.66 -0.30 3.43 0.00 -0.63 -4.92 120.51 118.47 3ngf n ALA 27 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.22 3ngf n ALA 27 Cb 0.33 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.39 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 1.30 0.83 3.74 0.00 0.00 -0.46 -4.79 105.19 105.80 3ngf n GLY 28 Ca 0.14 -0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 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 3.91 -0.80 1.61 0.08 -0.65 -0.23 117.98 119.90 3ngf s PHE 29 Ca 0.00 1.84 0.22 0.00 0.12 0.00 0.00 56.93 59.11 3ngf s PHE 29 Cb 0.00 -2.99 -0.14 0.00 -0.57 0.00 0.00 43.02 39.32 3ngf s PHE 29 CO 0.00 0.37 0.90 0.41 -0.10 0.00 0.00 175.22 176.80 3ngf n GLY 30 N 1.81 -1.05 3.11 4.36 0.00 -1.26 -4.23 105.19 107.93 3ngf n GLY 30 Ca -0.01 -0.54 -0.12 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.31 0.62 0.09 -0.02 0.00 -1.26 -1.14 107.32 102.30 3ngf s GLY 31 Ca 0.05 -1.02 0.02 0.00 0.00 0.00 0.00 44.72 43.77 3ngf s GLY 31 CO 0.85 -1.10 -0.07 -1.34 0.00 0.00 0.00 173.10 171.45 3ngf s VAL 32 N -2.36 0.67 0.14 1.40 -7.23 -0.12 -1.70 120.40 111.21 3ngf s VAL 32 Ca -0.00 -1.87 -0.00 0.00 -1.81 0.00 0.00 61.98 58.29 3ngf s VAL 32 Cb -0.03 -1.60 -0.04 0.00 0.56 0.00 0.00 36.38 35.27 3ngf s VAL 32 CO -0.02 -0.84 0.04 -1.83 -0.31 0.00 0.00 175.10 172.14 3ngf s GLU 33 N -3.67 0.98 0.18 4.82 -1.05 0.02 -0.82 118.70 119.16 3ngf s GLU 33 Ca 0.10 -1.47 -0.24 0.00 -0.15 0.00 0.00 54.97 53.21 3ngf s GLU 33 Cb 0.04 0.10 0.06 0.00 -0.44 0.00 0.00 34.13 33.89 3ngf s GLU 33 CO -0.04 -0.23 0.95 -0.59 0.95 0.00 0.00 175.26 176.30 3ngf s PHE 34 N -3.94 -0.08 -0.06 4.83 -0.12 -1.18 -0.63 117.98 116.80 3ngf s PHE 34 Ca 0.24 -0.27 -0.03 0.00 -0.05 0.00 0.00 56.93 56.82 3ngf s PHE 34 Cb 0.07 0.67 -0.02 0.00 -0.63 0.00 0.00 43.02 43.11 3ngf s PHE 34 CO 0.02 -0.91 0.16 -0.07 -0.05 0.00 0.00 175.22 174.37 3ngf h LEU 35 N 2.00 -0.09 -7.63 -1.99 4.07 -1.96 -3.36 115.31 106.35 3ngf h LEU 35 Ca -0.25 0.00 -0.50 0.00 0.08 0.00 0.00 57.88 57.22 3ngf h LEU 35 Cb 1.23 0.02 -0.37 0.00 1.08 0.00 0.00 40.66 42.62 3ngf h LEU 35 CO 0.28 0.26 -0.79 -0.36 -1.08 0.00 0.00 178.44 176.75 3ngf s PHE 36 N -1.82 1.22 -2.47 1.13 0.08 -1.26 -0.33 117.98 114.53 3ngf s PHE 36 Ca -0.02 -0.56 0.25 0.00 0.12 0.00 0.00 56.93 56.73 3ngf s PHE 36 Cb 0.00 -1.10 0.85 0.00 -0.57 0.00 0.00 43.02 42.21 3ngf s PHE 36 CO 0.05 -0.46 1.62 -0.35 -0.10 0.00 0.00 175.22 175.99 3ngf n PRO 37 N 5.01 1.78 0.15 0.24 -0.04 -1.26 -4.64 135.00 136.23 3ngf n PRO 37 Ca -0.11 -1.15 0.13 0.00 -0.04 0.00 0.00 63.50 62.33 3ngf n PRO 37 Cb 0.50 -1.45 0.47 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 2.61 0.00 -0.09 0.54 0.05 -1.96 -1.20 116.97 116.93 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 0.56 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.30 3ngf h TYR 38 CO 0.05 0.00 0.00 -3.47 -1.05 0.00 0.00 178.16 173.69 3ngf n ASP 39 N -2.42 1.10 -4.31 3.88 2.03 -1.26 -4.86 116.55 110.71 3ngf n ASP 39 Ca 0.03 -1.55 -0.24 0.00 0.52 0.00 0.00 54.79 53.56 3ngf n ASP 39 Cb 0.32 -0.05 -0.12 0.00 -0.72 0.00 0.00 41.12 40.55 3ngf n ASP 39 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3ngf s PHE 40 N -1.89 1.86 0.11 -0.67 0.40 -0.45 -5.12 117.98 112.21 3ngf s PHE 40 Ca 0.33 -0.43 -0.31 0.00 -0.60 0.00 0.00 56.93 55.93 3ngf s PHE 40 Cb 0.17 -0.99 -0.09 0.00 0.51 0.00 0.00 43.02 42.62 3ngf s PHE 40 CO 0.27 0.26 1.64 0.34 0.70 0.00 0.00 175.22 178.44 3ngf s ASP 41 N -2.15 6.57 0.28 1.36 2.15 -1.26 -4.92 116.67 118.71 3ngf s ASP 41 Ca 0.10 2.56 0.02 0.00 0.43 0.00 0.00 52.55 55.66 3ngf s ASP 41 Cb -0.09 -2.57 0.59 0.00 -0.30 0.00 0.00 42.92 40.55 3ngf s ASP 41 CO 0.05 -0.88 1.82 0.00 -0.17 0.00 0.00 175.17 175.99 3ngf h ALA 42 N 7.80 1.53 -0.59 3.66 0.00 -1.97 -1.63 119.26 128.07 3ngf h ALA 42 Ca -0.43 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 3ngf h ALA 42 Cb 1.20 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 3ngf h ALA 42 CO 0.93 0.16 0.32 -0.44 0.00 0.00 0.00 179.25 180.21 3ngf h ASP 43 N 0.93 0.71 -0.13 0.00 3.32 -1.94 0.10 116.42 119.41 3ngf h ASP 43 Ca 0.51 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.47 3ngf h ASP 43 Cb 0.58 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 3ngf h ASP 43 CO -0.29 0.58 -0.06 0.58 -1.72 0.00 0.00 179.24 178.32 3ngf h VAL 44 N 0.81 1.31 -0.46 -1.35 2.07 -1.70 -1.91 116.25 115.02 3ngf h VAL 44 Ca 0.21 -1.09 -0.06 0.00 0.82 0.00 0.00 66.70 66.57 3ngf h VAL 44 Cb 0.02 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 3ngf h VAL 44 CO -0.03 0.32 0.02 0.40 0.02 0.00 0.00 177.57 178.30 3ngf h ILE 45 N -0.06 1.23 -0.73 4.57 1.08 -1.23 -0.57 117.51 121.79 3ngf h ILE 45 Ca 0.03 -0.93 0.05 0.00 -0.39 0.00 0.00 64.86 63.63 3ngf h ILE 45 Cb 0.53 0.85 -0.05 0.00 -3.07 0.00 0.00 36.82 35.07 3ngf h ILE 45 CO 0.02 0.33 0.43 0.00 -0.69 0.00 0.00 178.15 178.24 3ngf h ALA 46 N 1.32 0.98 -0.26 1.87 0.00 -0.90 -1.69 119.26 120.59 3ngf h ALA 46 Ca 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 3ngf h ALA 46 Cb 0.40 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3ngf h ALA 46 CO 0.01 0.15 -0.40 0.00 0.00 0.00 0.00 179.25 179.01 3ngf h ARG 47 N 0.80 0.61 -0.37 0.00 3.08 -0.80 -1.45 114.38 116.25 3ngf h ARG 47 Ca 0.32 -0.31 0.05 0.00 0.07 0.00 0.00 59.98 60.10 3ngf h ARG 47 Cb 0.15 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.16 3ngf h ARG 47 CO -0.16 0.91 0.11 0.93 -1.07 0.00 0.00 179.97 180.68 3ngf h GLU 48 N 0.50 0.24 -0.52 0.04 4.39 -0.64 0.21 114.58 118.81 3ngf h GLU 48 Ca 0.04 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 3ngf h GLU 48 Cb 0.92 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.49 3ngf h GLU 48 CO 0.08 0.16 0.28 -0.07 -1.16 0.00 0.00 179.01 178.30 3ngf h LEU 49 N 0.25 0.66 -0.21 1.33 3.38 -1.09 -2.43 115.31 117.20 3ngf h LEU 49 Ca 0.17 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 3ngf h LEU 49 Cb 0.17 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3ngf h LEU 49 CO -0.20 0.57 -0.19 0.50 0.09 0.00 0.00 178.44 179.21 3ngf h LYS 50 N 0.69 0.50 -0.02 1.13 3.64 -1.04 -0.02 116.57 121.46 3ngf h LYS 50 Ca 0.18 -0.25 -0.10 0.00 -1.27 0.00 0.00 60.65 59.21 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 0.83 -0.47 0.37 -2.27 0.00 0.00 179.45 177.88 3ngf h GLN 51 N 0.18 0.04 -0.53 1.90 4.15 -0.95 -2.89 115.11 117.01 3ngf h GLN 51 Ca 0.04 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.43 3ngf h GLN 51 Cb 0.72 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.41 3ngf h GLN 51 CO 0.05 0.51 0.00 0.72 -1.93 0.00 0.00 178.83 178.17 3ngf n HIS 52 N -3.98 0.91 -3.70 3.99 8.25 -0.92 -5.00 115.22 114.78 3ngf n HIS 52 Ca -0.02 -0.56 -0.24 0.00 -0.26 0.00 0.00 57.72 56.64 3ngf n HIS 52 Cb 0.50 -0.10 0.03 0.00 1.12 0.00 0.00 29.99 31.53 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 0.89 -2.35 -4.32 0.41 5.15 -0.60 -4.80 115.26 109.65 3ngf n ASN 53 Ca 0.20 -0.88 -0.28 0.00 -0.60 0.00 0.00 54.58 53.01 3ngf n ASN 53 Cb 0.64 -3.86 -0.14 0.00 -0.53 0.00 0.00 39.78 35.89 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 -6.57 2.19 -0.11 1.20 1.43 -0.12 -4.84 118.68 111.86 3ngf s LEU 54 Ca 0.14 -0.59 -0.11 0.00 -1.03 0.00 0.00 54.13 52.53 3ngf s LEU 54 Cb -0.04 -1.17 -0.05 0.00 0.03 0.00 0.00 46.19 44.96 3ngf s LEU 54 CO 0.83 0.21 0.26 -0.89 0.23 0.00 0.00 176.35 176.99 3ngf s THR 55 N -0.84 5.31 -0.43 5.49 2.01 -0.30 -4.62 115.64 122.26 3ngf s THR 55 Ca 0.10 0.48 -0.25 0.00 0.31 0.00 0.00 61.69 62.34 3ngf s THR 55 Cb -0.10 -3.56 0.02 0.00 0.01 0.00 0.00 72.50 68.87 3ngf s THR 55 CO 0.02 0.52 0.88 -1.58 -0.69 0.00 0.00 174.62 173.77 3ngf s GLN 56 N -0.46 3.59 -0.06 4.92 2.00 -1.26 -0.94 119.66 127.45 3ngf s GLN 56 Ca 0.17 0.20 0.07 0.00 -2.00 0.00 0.00 55.36 53.81 3ngf s GLN 56 Cb -0.13 -3.89 -0.24 0.00 0.80 0.00 0.00 33.01 29.55 3ngf s GLN 56 CO 0.06 -1.10 0.60 0.28 -0.50 0.00 0.00 175.29 174.63 3ngf h VAL 57 N 5.97 0.81 -1.75 1.34 2.07 -1.36 -3.41 116.25 119.91 3ngf h VAL 57 Ca -0.24 -2.62 0.02 0.00 0.82 0.00 0.00 66.70 64.68 3ngf h VAL 57 Cb 1.08 2.46 -0.23 0.00 -1.52 0.00 0.00 31.29 33.08 3ngf h VAL 57 CO 0.99 0.61 0.36 -0.22 0.02 0.00 0.00 177.57 179.33 3ngf s LEU 58 N -6.38 -0.53 0.31 2.57 2.96 -1.26 -4.27 118.68 112.08 3ngf s LEU 58 Ca -0.09 0.80 -0.13 0.00 -0.22 0.00 0.00 54.13 54.49 3ngf s LEU 58 Cb 0.08 2.14 0.02 0.00 0.50 0.00 0.00 46.19 48.92 3ngf s LEU 58 CO 0.81 -0.33 0.60 0.72 -1.32 0.00 0.00 176.35 176.83 3ngf s PHE 59 N -0.47 0.32 0.11 5.38 -0.12 -1.23 -3.07 117.98 118.89 3ngf s PHE 59 Ca -0.02 -0.75 -0.02 0.00 -0.05 0.00 0.00 56.93 56.08 3ngf s PHE 59 Cb -0.02 0.41 -0.05 0.00 -0.63 0.00 0.00 43.02 42.72 3ngf s PHE 59 CO 0.01 -1.21 0.30 -0.80 -0.05 0.00 0.00 175.22 173.47 3ngf s ASN 60 N -3.05 6.43 0.85 1.98 -0.87 0.55 -1.30 114.94 119.53 3ngf s ASN 60 Ca 0.20 0.44 -0.11 0.00 -1.57 0.00 0.00 52.86 51.82 3ngf s ASN 60 Cb -0.03 -2.03 0.10 0.00 -0.02 0.00 0.00 41.25 39.28 3ngf s ASN 60 CO 0.11 0.10 1.11 -0.04 -2.57 0.00 0.00 177.10 175.81 3ngf s MET 61 N -2.60 1.63 0.28 -0.60 -1.94 -0.11 -4.75 119.30 111.21 3ngf s MET 61 Ca 0.38 1.23 -0.30 0.00 -1.71 0.00 0.00 55.69 55.30 3ngf s MET 61 Cb -0.12 -1.82 -0.13 0.00 2.01 0.00 0.00 34.83 34.76 3ngf s MET 61 CO 0.26 -2.10 1.29 -2.30 -0.01 0.00 0.00 175.02 172.16 3ngf n PRO 62 N -3.84 1.89 0.00 2.03 -0.02 -1.26 -4.78 135.00 129.01 3ngf n PRO 62 Ca 0.09 0.67 0.13 0.00 -2.02 0.00 0.00 63.50 62.37 3ngf n PRO 62 Cb 0.53 -2.24 0.32 0.00 -0.02 0.00 0.00 33.50 32.09 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 1.31 1.42 0.00 0.52 -0.04 -1.26 -4.81 135.00 132.15 3ngf n PRO 63 Ca 0.09 -0.97 0.00 0.00 -0.04 0.00 0.00 63.50 62.58 3ngf n PRO 63 Cb 0.32 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 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 1.30 -0.14 3.49 0.55 0.00 -1.26 -0.86 105.19 108.27 3ngf n GLY 64 Ca 0.14 -1.49 -0.43 0.00 0.00 0.00 0.00 46.02 44.24 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 6.70 0.13 1.61 -1.08 -1.26 -4.87 116.67 113.90 3ngf s ASP 65 Ca 0.00 -2.13 -0.18 0.00 -0.52 0.00 0.00 52.55 49.72 3ngf s ASP 65 Cb 0.00 -2.45 -0.04 0.00 -1.46 0.00 0.00 42.92 38.97 3ngf s ASP 65 CO 0.00 -1.11 1.77 -0.25 0.52 0.00 0.00 175.17 176.10 3ngf h TRP 66 N 8.62 0.37 -0.86 -5.34 2.91 -1.86 -1.58 115.95 118.21 3ngf h TRP 66 Ca 0.22 0.00 0.17 0.00 1.13 0.00 0.00 58.89 60.42 3ngf h TRP 66 Cb 0.98 -0.12 -0.06 0.00 -0.51 0.00 0.00 29.16 29.44 3ngf h TRP 66 CO 1.20 0.26 0.57 0.00 -1.03 0.00 0.00 178.44 179.43 3ngf h ALA 67 N 1.08 2.07 -0.14 2.65 0.00 -1.89 0.50 119.26 123.53 3ngf h ALA 67 Ca 0.10 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3ngf h ALA 67 Cb -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3ngf h ALA 67 CO -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 179.25 178.91 3ngf n ALA 68 N -2.49 2.51 -0.23 0.00 0.00 -0.80 -4.90 120.51 114.60 3ngf n ALA 68 Ca 0.18 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3ngf n ALA 68 Cb 0.59 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.98 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 0.85 0.66 3.76 0.00 0.00 0.17 -5.07 105.19 105.56 3ngf n GLY 69 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.77 4.55 -0.37 1.61 2.02 -0.66 -4.93 118.70 120.15 3ngf s GLU 70 Ca 0.00 1.90 0.12 0.00 0.02 0.00 0.00 54.97 57.01 3ngf s GLU 70 Cb 0.00 -3.17 0.44 0.00 0.10 0.00 0.00 34.13 31.50 3ngf s GLU 70 CO 0.00 0.07 1.02 0.54 0.02 0.00 0.00 175.26 176.92 3ngf n ARG 71 N 1.36 2.19 0.00 1.61 5.12 -1.26 -4.16 116.66 121.53 3ngf n ARG 71 Ca 0.00 -3.83 0.00 0.00 -1.93 0.00 0.00 57.85 52.09 3ngf n ARG 71 Cb 0.44 -1.70 0.00 0.00 -1.16 0.00 0.00 32.46 30.04 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 -0.25 1.83 0.84 -0.13 0.00 -0.04 -1.48 105.19 105.96 3ngf n GLY 72 Ca 0.23 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.29 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 1.76 0.00 0.20 1.61 0.00 -1.18 -3.36 117.12 116.16 3ngf n MET 73 Ca 0.00 -1.13 0.06 0.00 0.00 0.00 0.00 57.70 56.64 3ngf n MET 73 Cb 0.00 -0.17 0.56 0.00 0.00 0.00 0.00 33.22 33.61 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 0.29 1.87 -0.48 3.17 0.00 -1.28 -2.88 119.26 119.94 3ngf h ALA 74 Ca -0.12 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3ngf h ALA 74 Cb 1.48 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.23 3ngf h ALA 74 CO -0.00 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.35 3ngf n ALA 75 N -2.52 3.12 -3.38 0.00 0.00 -0.34 -2.90 120.51 114.48 3ngf n ALA 75 Ca -0.02 -1.82 -0.38 0.00 0.00 0.00 0.00 53.44 51.22 3ngf n ALA 75 Cb 0.12 -0.87 -0.12 0.00 0.00 0.00 0.00 19.45 18.58 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 -2.22 3.75 0.28 0.00 1.01 -1.09 -4.38 121.20 118.55 3ngf s ILE 76 Ca 0.46 -1.39 -0.30 0.00 0.00 0.00 0.00 60.65 59.41 3ngf s ILE 76 Cb 0.33 -3.25 -0.12 0.00 0.01 0.00 0.00 42.46 39.42 3ngf s ILE 76 CO 0.17 -0.36 1.50 -1.20 0.00 0.00 0.00 174.94 175.06 3ngf n SER 77 N 4.79 3.37 0.00 3.58 7.64 -1.26 -2.34 113.62 129.39 3ngf n SER 77 Ca -0.10 1.15 0.00 0.00 1.01 0.00 0.00 58.87 60.93 3ngf n SER 77 Cb 0.43 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.11 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 2.04 1.38 1.59 0.23 0.00 -1.26 -4.93 105.19 104.24 3ngf n GLY 78 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 3.47 -0.12 1.61 1.74 -0.99 -4.72 116.66 115.65 3ngf n ARG 79 Ca 0.00 -3.05 -0.11 0.00 -0.77 0.00 0.00 57.85 53.92 3ngf n ARG 79 Cb 0.00 -2.08 -0.02 0.00 -1.02 0.00 0.00 32.46 29.34 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 2.44 0.64 -0.64 5.56 3.07 -1.89 0.26 114.58 124.01 3ngf h GLU 80 Ca 0.15 -0.22 -0.05 0.00 -0.50 0.00 0.00 59.36 58.74 3ngf h GLU 80 Cb 1.97 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 29.80 3ngf h GLU 80 CO 0.53 0.77 0.19 0.37 -1.40 0.00 0.00 179.01 179.47 3ngf h GLN 81 N 0.45 1.00 -0.19 2.33 5.75 -1.99 0.74 115.11 123.20 3ngf h GLN 81 Ca 0.10 -0.22 0.04 0.00 -0.15 0.00 0.00 58.65 58.41 3ngf h GLN 81 Cb 0.49 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.87 3ngf h GLN 81 CO 0.02 0.88 -0.03 1.49 -2.65 0.00 0.00 178.83 178.55 3ngf h GLU 82 N 0.93 0.02 -0.50 1.69 4.81 -1.85 0.93 114.58 120.61 3ngf h GLU 82 Ca 0.21 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.48 3ngf h GLU 82 Cb 0.30 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.63 3ngf h GLU 82 CO -0.01 0.02 0.24 0.35 -0.73 0.00 0.00 179.01 178.88 3ngf h PHE 83 N 0.02 0.43 -0.54 0.92 3.57 -0.46 -0.82 116.94 120.06 3ngf h PHE 83 Ca 0.09 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 3ngf h PHE 83 Cb 0.13 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 3ngf h PHE 83 CO -0.20 0.20 0.31 0.00 -2.23 0.00 0.00 178.31 176.40 3ngf h ARG 84 N 0.46 0.74 -0.50 1.11 3.08 -0.47 -1.21 114.38 117.60 3ngf h ARG 84 Ca 0.22 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.16 3ngf h ARG 84 Cb 0.16 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 3ngf h ARG 84 CO -0.17 0.55 0.16 -0.44 -1.07 0.00 0.00 179.97 179.00 3ngf h ASP 85 N 0.72 0.67 0.65 7.04 3.32 -0.58 -2.32 116.42 125.92 3ngf h ASP 85 Ca 0.19 -0.09 -0.07 0.00 0.02 0.00 0.00 57.03 57.08 3ngf h ASP 85 Cb 0.01 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 3ngf h ASP 85 CO -0.03 0.64 -0.32 0.78 -1.72 0.00 0.00 179.24 178.58 3ngf h ASN 86 N 0.72 0.00 -0.76 6.45 2.35 -0.48 -2.69 115.58 121.17 3ngf h ASN 86 Ca 0.17 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.87 3ngf h ASN 86 Cb 0.20 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.54 3ngf h ASN 86 CO -0.01 0.32 0.29 0.58 -1.65 0.00 0.00 177.43 176.96 3ngf h VAL 87 N 0.00 1.26 -0.36 2.81 2.07 -0.66 -0.56 116.25 120.80 3ngf h VAL 87 Ca -0.00 -0.84 -0.08 0.00 0.82 0.00 0.00 66.70 66.59 3ngf h VAL 87 Cb 0.73 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 3ngf h VAL 87 CO 0.04 0.34 -0.12 -0.78 0.02 0.00 0.00 177.57 177.07 3ngf h ASP 88 N 1.12 0.62 -0.08 0.57 3.58 -1.40 0.42 116.42 121.25 3ngf h ASP 88 Ca 0.25 -0.17 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 3ngf h ASP 88 Cb 0.24 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 41.12 3ngf h ASP 88 CO -0.02 0.77 -0.01 0.40 -2.88 0.00 0.00 179.24 177.50 3ngf h ILE 89 N 0.58 1.27 -0.83 2.25 2.04 -1.39 -1.49 117.51 119.93 3ngf h ILE 89 Ca 0.10 -0.84 0.05 0.00 1.00 0.00 0.00 64.86 65.17 3ngf h ILE 89 Cb 0.54 1.68 -0.06 0.00 -0.74 0.00 0.00 36.82 38.24 3ngf h ILE 89 CO 0.03 0.23 0.52 0.00 0.00 0.00 0.00 178.15 178.94 3ngf h ALA 90 N 0.71 1.12 -0.45 1.87 0.00 -0.90 -2.74 119.26 118.88 3ngf h ALA 90 Ca 0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3ngf h ALA 90 Cb 0.37 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3ngf h ALA 90 CO 0.01 0.30 0.22 1.25 0.00 0.00 0.00 179.25 181.02 3ngf h LEU 91 N 0.98 0.58 -0.43 0.00 5.85 -0.83 0.13 115.31 121.59 3ngf h LEU 91 Ca 0.35 -0.13 0.08 0.00 0.84 0.00 0.00 57.88 59.03 3ngf h LEU 91 Cb 0.10 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 40.91 3ngf h LEU 91 CO -0.15 0.55 -0.05 -0.74 -0.34 0.00 0.00 178.44 177.71 3ngf h HIS 92 N 0.58 -0.11 -0.46 1.25 2.76 -1.01 0.87 115.15 119.02 3ngf h HIS 92 Ca 0.15 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 58.23 3ngf h HIS 92 Cb 0.12 0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.18 3ngf h HIS 92 CO -0.01 -0.13 -0.22 1.88 -1.30 0.00 0.00 177.93 178.15 3ngf h TYR 93 N 0.06 1.11 -0.84 5.26 -1.99 -1.21 -2.37 116.97 116.98 3ngf h TYR 93 Ca 0.21 -0.27 -0.00 0.00 2.00 0.00 0.00 58.73 60.66 3ngf h TYR 93 Cb 0.32 -0.26 -0.04 0.00 2.00 0.00 0.00 36.73 38.75 3ngf h TYR 93 CO -0.32 1.09 0.51 0.00 -0.00 0.00 0.00 178.16 179.44 3ngf h ALA 94 N 0.85 1.08 -0.33 3.88 0.00 -0.11 -0.71 119.26 123.92 3ngf h ALA 94 Ca 0.10 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3ngf h ALA 94 Cb 0.79 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3ngf h ALA 94 CO 0.07 0.53 -0.10 -0.07 0.00 0.00 0.00 179.25 179.68 3ngf h LEU 95 N 1.16 0.66 -1.15 0.00 3.38 -0.82 -0.52 115.31 118.02 3ngf h LEU 95 Ca 0.30 -0.37 0.07 0.00 0.09 0.00 0.00 57.88 57.97 3ngf h LEU 95 Cb -0.06 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.45 3ngf h LEU 95 CO -0.06 0.88 0.59 0.00 0.09 0.00 0.00 178.44 179.94 3ngf h ALA 96 N 0.80 1.54 -0.34 1.53 0.00 -1.07 -2.69 119.26 119.02 3ngf h ALA 96 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ngf h ALA 96 Cb 0.60 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3ngf h ALA 96 CO 0.04 0.31 0.00 1.28 0.00 0.00 0.00 179.25 180.88 3ngf n LEU 97 N -4.50 2.86 -4.14 0.00 4.77 -0.30 -4.70 117.00 110.98 3ngf n LEU 97 Ca 0.14 -1.25 -0.31 0.00 -0.03 0.00 0.00 56.01 54.57 3ngf n LEU 97 Cb 0.23 -0.22 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 3ngf n LEU 97 CO 0.32 0.62 -0.22 -0.67 -1.33 0.00 0.00 177.39 176.12 3ngf n ASP 98 N 1.09 -1.05 -4.76 -1.43 2.03 -0.60 -4.41 116.55 107.42 3ngf n ASP 98 Ca 0.18 -1.07 -0.36 0.00 0.52 0.00 0.00 54.79 54.06 3ngf n ASP 98 Cb 0.51 -2.60 -0.07 0.00 -0.72 0.00 0.00 41.12 38.23 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 3.16 2.39 -3.73 0.00 5.12 -1.26 -4.68 116.66 117.66 3ngf n ARG 100 Ca -0.14 -1.99 -0.14 0.00 -1.93 0.00 0.00 57.85 53.65 3ngf n ARG 100 Cb 0.52 -1.32 -0.14 0.00 -1.16 0.00 0.00 32.46 30.36 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 -1.04 -0.10 -0.02 0.55 2.01 -1.26 -1.09 115.64 114.69 3ngf s THR 101 Ca 0.26 0.21 0.03 0.00 0.31 0.00 0.00 61.69 62.50 3ngf s THR 101 Cb 0.14 -0.29 -0.00 0.00 0.01 0.00 0.00 72.50 72.36 3ngf s THR 101 CO 0.19 0.08 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.34 3ngf s LEU 102 N 1.43 1.86 -0.28 4.42 1.43 -0.23 -3.56 118.68 123.75 3ngf s LEU 102 Ca -0.07 -0.22 -0.16 0.00 -1.03 0.00 0.00 54.13 52.66 3ngf s LEU 102 Cb -0.11 -0.63 -0.03 0.00 0.03 0.00 0.00 46.19 45.45 3ngf s LEU 102 CO -0.07 0.10 0.40 -2.28 0.23 0.00 0.00 176.35 174.73 3ngf s HIS 103 N 0.06 3.24 -0.40 0.29 5.65 -0.42 0.04 115.29 123.75 3ngf s HIS 103 Ca -0.01 0.39 -0.17 0.00 0.25 0.00 0.00 55.06 55.52 3ngf s HIS 103 Cb -0.08 -2.62 0.01 0.00 -1.18 0.00 0.00 32.58 28.71 3ngf s HIS 103 CO 0.00 -0.27 0.44 0.00 -0.65 0.00 0.00 174.74 174.27 3ngf s ALA 104 N 2.12 3.44 0.47 1.58 0.00 -0.67 -0.93 121.76 127.77 3ngf s ALA 104 Ca 0.16 -1.39 -0.21 0.00 0.00 0.00 0.00 51.96 50.51 3ngf s ALA 104 Cb -0.16 -3.02 -0.08 0.00 0.00 0.00 0.00 23.12 19.86 3ngf s ALA 104 CO 0.10 -1.47 1.08 -1.64 0.00 0.00 0.00 175.76 173.82 3ngf s MET 105 N 2.19 3.80 -0.19 0.00 -1.94 -1.26 -4.68 119.30 117.21 3ngf s MET 105 Ca 0.13 1.51 0.16 0.00 -1.71 0.00 0.00 55.69 55.78 3ngf s MET 105 Cb -0.17 -2.23 -0.24 0.00 2.01 0.00 0.00 34.83 34.20 3ngf s MET 105 CO 0.14 -0.46 0.10 0.43 -0.01 0.00 0.00 175.02 175.22 3ngf n SER 106 N -0.75 0.20 0.00 3.03 7.64 -1.25 -2.09 113.62 120.40 3ngf n SER 106 Ca 0.08 0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.99 3ngf n SER 106 Cb 0.51 0.82 0.00 0.00 -1.01 0.00 0.00 64.21 64.53 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 1.77 2.20 3.62 0.23 0.00 -0.55 -1.19 105.19 111.27 3ngf n GLY 107 Ca -0.32 -1.98 -0.43 0.00 0.00 0.00 0.00 46.02 43.28 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 -2.54 4.45 -0.73 -0.61 -1.09 -1.26 -1.85 121.20 117.58 3ngf s ILE 108 Ca 0.00 1.53 0.07 0.00 -2.23 0.00 0.00 60.65 60.02 3ngf s ILE 108 Cb 0.00 -4.44 0.12 0.00 -1.58 0.00 0.00 42.46 36.56 3ngf s ILE 108 CO 0.00 -0.61 0.93 0.35 -1.23 0.00 0.00 174.94 174.39 3ngf n THR 109 N 6.10 0.49 -1.70 2.92 -2.24 -0.59 -4.93 114.28 114.32 3ngf n THR 109 Ca 0.11 -0.74 -0.43 0.00 -2.27 0.00 0.00 64.05 60.71 3ngf n THR 109 Cb 0.48 0.83 -0.03 0.00 -2.10 0.00 0.00 70.33 69.51 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 0.27 2.48 -0.42 -0.78 2.13 -1.12 -1.26 120.64 121.94 3ngf n GLU 110 Ca 0.06 0.89 0.00 0.00 0.66 0.00 0.00 57.16 58.77 3ngf n GLU 110 Cb 0.26 -2.67 0.00 0.00 0.27 0.00 0.00 31.44 29.30 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 3.14 1.31 3.96 8.31 0.00 -1.26 -5.05 105.19 115.60 3ngf n GLY 111 Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 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 4.21 -0.03 0.99 1.43 -0.39 -5.06 118.68 119.83 3ngf s LEU 112 Ca 0.00 0.21 -0.30 0.00 -1.03 0.00 0.00 54.13 53.01 3ngf s LEU 112 Cb 0.00 -3.03 -0.06 0.00 0.03 0.00 0.00 46.19 43.13 3ngf s LEU 112 CO 0.00 -0.15 1.56 -0.62 0.23 0.00 0.00 176.35 177.37 3ngf s ASP 113 N -4.00 6.72 0.18 2.29 2.15 -1.26 -4.92 116.67 117.83 3ngf s ASP 113 Ca 0.36 2.20 -0.13 0.00 0.43 0.00 0.00 52.55 55.42 3ngf s ASP 113 Cb -0.09 -2.54 0.09 0.00 -0.30 0.00 0.00 42.92 40.07 3ngf s ASP 113 CO 0.32 -0.86 1.82 -0.09 -0.17 0.00 0.00 175.17 176.19 3ngf h ARG 114 N 8.83 0.81 -0.57 4.34 9.65 -1.97 -1.71 114.38 133.76 3ngf h ARG 114 Ca -0.38 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 58.41 3ngf h ARG 114 Cb 1.17 -0.17 -0.03 0.00 -1.39 0.00 0.00 29.97 29.56 3ngf h ARG 114 CO 0.94 0.58 0.30 -0.22 2.80 0.00 0.00 179.97 184.37 3ngf h LYS 115 N 0.81 0.81 -0.92 0.20 3.64 -1.99 -0.92 116.57 118.20 3ngf h LYS 115 Ca 0.22 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 3ngf h LYS 115 Cb -0.03 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.59 3ngf h LYS 115 CO -0.04 0.63 0.53 0.00 -2.27 0.00 0.00 179.45 178.30 3ngf h ALA 116 N 1.13 1.17 -0.34 5.00 0.00 -1.89 -1.14 119.26 123.19 3ngf h ALA 116 Ca 0.20 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3ngf h ALA 116 Cb 0.07 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3ngf h ALA 116 CO -0.03 0.66 0.07 0.00 0.00 0.00 0.00 179.25 179.94 3ngf h GLU 118 N 0.40 1.13 -0.74 0.00 5.08 -1.01 0.17 114.58 119.60 3ngf h GLU 118 Ca 0.10 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 3ngf h GLU 118 Cb 0.33 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 3ngf h GLU 118 CO 0.00 1.02 0.41 0.93 -1.00 0.00 0.00 179.01 180.37 3ngf h GLU 119 N 1.06 1.02 -0.33 2.33 5.08 -1.09 -1.93 114.58 120.73 3ngf h GLU 119 Ca 0.21 -0.12 -0.17 0.00 -1.00 0.00 0.00 59.36 58.29 3ngf h GLU 119 Cb 0.42 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 3ngf h GLU 119 CO 0.01 0.76 -0.46 1.15 -1.00 0.00 0.00 179.01 179.47 3ngf h THR 120 N 1.02 1.27 -0.40 1.13 2.02 -0.94 -2.11 112.91 114.90 3ngf h THR 120 Ca 0.26 -1.64 0.08 0.00 0.77 0.00 0.00 66.41 65.88 3ngf h THR 120 Cb 0.02 1.52 -0.07 0.00 -1.74 0.00 0.00 68.15 67.88 3ngf h THR 120 CO -0.04 0.54 -0.07 0.15 0.37 0.00 0.00 175.52 176.47 3ngf h PHE 121 N 0.70 -0.15 -0.31 3.16 3.57 -0.83 -0.16 116.94 122.92 3ngf h PHE 121 Ca 0.04 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 3ngf h PHE 121 Cb 1.06 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.92 3ngf h PHE 121 CO 0.07 -0.15 0.17 0.82 -2.23 0.00 0.00 178.31 176.99 3ngf h ILE 122 N 0.03 1.13 -0.52 1.41 2.04 -1.15 0.06 117.51 120.51 3ngf h ILE 122 Ca 0.20 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 3ngf h ILE 122 Cb 0.29 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 3ngf h ILE 122 CO -0.39 0.13 0.26 -0.33 0.00 0.00 0.00 178.15 177.82 3ngf h GLU 123 N 0.38 0.74 -0.34 2.37 4.39 -1.09 0.07 114.58 121.10 3ngf h GLU 123 Ca 0.11 -0.10 -0.10 0.00 0.34 0.00 0.00 59.36 59.61 3ngf h GLU 123 Cb 0.05 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 3ngf h GLU 123 CO -0.02 0.60 -0.18 -0.91 -1.16 0.00 0.00 179.01 177.34 3ngf h ASN 124 N 0.70 0.76 -0.51 1.42 2.35 -0.74 -1.80 115.58 117.75 3ngf h ASN 124 Ca 0.18 -0.41 -0.09 0.00 -0.55 0.00 0.00 56.30 55.43 3ngf h ASN 124 Cb 0.09 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 3ngf h ASN 124 CO -0.03 1.00 -0.02 -0.26 -1.65 0.00 0.00 177.43 176.48 3ngf h PHE 125 N 0.51 1.04 -0.59 1.19 -1.00 -0.92 -0.20 116.94 116.97 3ngf h PHE 125 Ca 0.07 -0.17 -0.02 0.00 2.81 0.00 0.00 57.97 60.66 3ngf h PHE 125 Cb 0.73 -0.27 -0.03 0.00 3.61 0.00 0.00 35.95 39.99 3ngf h PHE 125 CO 0.06 0.94 0.28 0.00 -1.61 0.00 0.00 178.31 177.98 3ngf h ARG 126 N 0.88 0.84 -0.19 1.51 3.08 -0.89 -0.27 114.38 119.34 3ngf h ARG 126 Ca 0.16 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 3ngf h ARG 126 Cb 0.54 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 3ngf h ARG 126 CO 0.03 0.68 0.12 -0.92 -1.07 0.00 0.00 179.97 178.81 3ngf h TYR 127 N 0.80 0.25 -0.59 3.04 3.20 -1.07 -0.54 116.97 122.06 3ngf h TYR 127 Ca 0.20 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 3ngf h TYR 127 Cb 0.11 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.27 3ngf h TYR 127 CO -0.00 0.19 0.31 0.00 -1.64 0.00 0.00 178.16 177.02 3ngf h ALA 128 N 1.04 0.75 -0.59 1.82 0.00 -0.88 -1.29 119.26 120.11 3ngf h ALA 128 Ca 0.07 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.90 3ngf h ALA 128 Cb 0.01 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 3ngf h ALA 128 CO -0.01 0.28 0.36 0.00 0.00 0.00 0.00 179.25 179.88 3ngf h ALA 129 N 1.14 0.76 -0.28 0.00 0.00 -0.83 -0.32 119.26 119.73 3ngf h ALA 129 Ca 0.20 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 3ngf h ALA 129 Cb 0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3ngf h ALA 129 CO -0.03 0.10 -0.35 -0.44 0.00 0.00 0.00 179.25 178.53 3ngf h ASP 130 N 0.71 0.63 0.40 0.00 3.32 -0.52 -0.79 116.42 120.17 3ngf h ASP 130 Ca 0.24 -0.26 -0.19 0.00 0.02 0.00 0.00 57.03 56.83 3ngf h ASP 130 Cb 0.02 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 3ngf h ASP 130 CO -0.10 0.93 -0.81 0.11 -1.72 0.00 0.00 179.24 177.65 3ngf h LYS 131 N 0.51 0.31 0.00 3.56 1.79 -1.01 -3.33 116.57 118.40 3ngf h LYS 131 Ca 0.05 -0.29 -0.16 0.00 -2.18 0.00 0.00 60.65 58.08 3ngf h LYS 131 Cb 0.84 0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 31.54 3ngf h LYS 131 CO 0.07 0.96 -1.08 -0.07 -1.08 0.00 0.00 179.45 178.25 3ngf h LEU 132 N 0.19 0.00 -1.19 2.94 3.38 -0.87 -3.38 115.31 116.39 3ngf h LEU 132 Ca -0.04 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.02 3ngf h LEU 132 Cb 1.40 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.09 3ngf h LEU 132 CO 0.13 0.61 0.58 0.00 0.09 0.00 0.00 178.44 179.85 3ngf h ALA 133 N 1.39 1.61 0.00 1.53 0.00 -1.26 -1.33 119.26 121.20 3ngf h ALA 133 Ca -0.10 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3ngf h ALA 133 Cb 1.56 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 3ngf h ALA 133 CO 0.06 0.21 -0.01 -1.35 0.00 0.00 0.00 179.25 178.17 3ngf h PRO 134 N 0.91 0.00 -0.32 0.00 0.11 -1.77 -1.93 132.00 128.99 3ngf h PRO 134 Ca 0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.52 3ngf h PRO 134 Cb 0.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.48 3ngf h PRO 134 CO -0.17 0.01 0.00 0.72 -0.21 0.00 0.00 178.00 178.35 3ngf n HIS 135 N -3.34 0.42 -1.77 0.65 8.25 -0.55 -4.98 115.22 113.91 3ngf n HIS 135 Ca -0.03 -0.29 -0.13 0.00 -0.26 0.00 0.00 57.72 57.01 3ngf n HIS 135 Cb 0.10 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.17 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 1.03 0.68 3.81 -1.41 0.00 -0.73 -5.00 105.19 103.58 3ngf n GLY 136 Ca 0.15 -0.39 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.55 5.30 -0.11 -0.61 1.01 -0.93 -4.88 121.20 118.43 3ngf s ILE 137 Ca 0.00 0.50 -0.05 0.00 0.00 0.00 0.00 60.65 61.10 3ngf s ILE 137 Cb 0.00 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 3ngf s ILE 137 CO 0.00 0.53 0.09 -0.89 0.00 0.00 0.00 174.94 174.67 3ngf s THR 138 N -0.50 5.10 -0.12 2.92 2.01 -0.25 -4.19 115.64 120.60 3ngf s THR 138 Ca 0.18 0.05 -0.04 0.00 0.31 0.00 0.00 61.69 62.19 3ngf s THR 138 Cb -0.14 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 3ngf s THR 138 CO 0.06 0.62 0.03 0.54 -0.69 0.00 0.00 174.62 175.18 3ngf s VAL 139 N -0.98 4.52 0.13 3.82 0.11 -0.58 -1.07 120.40 126.35 3ngf s VAL 139 Ca 0.14 -0.15 0.09 0.00 -2.93 0.00 0.00 61.98 59.13 3ngf s VAL 139 Cb -0.12 -2.95 -0.04 0.00 -1.53 0.00 0.00 36.38 31.74 3ngf s VAL 139 CO 0.03 0.56 -0.17 -0.76 -3.33 0.00 0.00 175.10 171.43 3ngf s LEU 140 N -0.42 2.72 -0.14 2.54 1.43 0.11 -2.39 118.68 122.52 3ngf s LEU 140 Ca 0.09 -0.59 -0.04 0.00 -1.03 0.00 0.00 54.13 52.56 3ngf s LEU 140 Cb -0.12 -1.53 -0.03 0.00 0.03 0.00 0.00 46.19 44.54 3ngf s LEU 140 CO 0.02 0.16 -0.01 0.54 0.23 0.00 0.00 176.35 177.29 3ngf s VAL 141 N -1.27 4.13 -0.31 -1.59 0.11 -0.80 -1.67 120.40 119.01 3ngf s VAL 141 Ca 0.19 -0.28 0.00 0.00 -2.93 0.00 0.00 61.98 58.96 3ngf s VAL 141 Cb -0.10 -2.80 0.07 0.00 -1.53 0.00 0.00 36.38 32.02 3ngf s VAL 141 CO 0.11 0.52 -0.01 -0.70 -3.33 0.00 0.00 175.10 171.69 3ngf s GLU 142 N -0.00 2.20 0.30 1.54 2.12 -1.26 -0.67 118.70 122.93 3ngf s GLU 142 Ca 0.02 -1.43 -0.30 0.00 0.36 0.00 0.00 54.97 53.62 3ngf s GLU 142 Cb -0.13 -3.14 -0.11 0.00 0.26 0.00 0.00 34.13 31.01 3ngf s GLU 142 CO 0.02 -0.70 1.59 -2.14 -0.54 0.00 0.00 175.26 173.49 3ngf s PRO 143 N 1.15 4.12 0.00 4.30 0.02 -1.26 -4.91 135.00 138.41 3ngf s PRO 143 Ca -0.03 2.59 0.00 0.00 0.02 0.00 0.00 61.00 63.58 3ngf s PRO 143 Cb -0.20 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.30 3ngf s PRO 143 CO -0.04 -0.63 0.00 1.28 -0.33 0.00 0.00 177.00 177.28 3ngf n LEU 144 N 2.00 0.00 -4.20 -5.54 4.77 -0.58 -4.77 117.00 108.67 3ngf n LEU 144 Ca 0.07 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.93 3ngf n LEU 144 Cb 0.37 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.36 3ngf n LEU 144 CO 0.64 0.00 -0.40 0.54 -1.33 0.00 0.00 177.39 176.84 3ngf s ASN 145 N -0.36 1.44 0.00 -1.43 2.20 -1.26 -4.53 114.94 111.00 3ngf s ASN 145 Ca 0.00 -0.99 0.28 0.00 -0.94 0.00 0.00 52.86 51.21 3ngf s ASN 145 Cb 0.00 0.04 1.03 0.00 -2.00 0.00 0.00 41.25 40.32 3ngf s ASN 145 CO 0.00 -0.39 1.76 0.35 -2.94 0.00 0.00 177.10 175.88 3ngf n THR 146 N -0.05 0.00 -0.05 0.54 -2.24 -1.26 -0.92 114.28 110.30 3ngf n THR 146 Ca -0.12 -0.02 -0.18 0.00 -2.27 0.00 0.00 64.05 61.47 3ngf n THR 146 Cb 0.60 -0.15 -0.13 0.00 -2.10 0.00 0.00 70.33 68.55 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 0.19 0.07 0.00 -0.78 2.43 -1.99 -3.21 114.38 111.10 3ngf h ARG 147 Ca 0.00 -0.12 -0.21 0.00 -0.81 0.00 0.00 59.98 58.83 3ngf h ARG 147 Cb 0.45 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 3ngf h ARG 147 CO 0.00 1.06 -1.03 -0.91 -1.51 0.00 0.00 179.97 177.58 3ngf h ASN 148 N -0.82 0.00 -2.06 -3.80 -0.26 -1.99 -3.40 115.58 103.24 3ngf h ASN 148 Ca -0.14 0.00 -0.55 0.00 -0.56 0.00 0.00 56.30 55.05 3ngf h ASN 148 Cb 1.25 0.00 -0.40 0.00 -1.06 0.00 0.00 38.32 38.11 3ngf h ASN 148 CO -0.02 0.98 -0.98 0.80 -1.06 0.00 0.00 177.43 177.15 3ngf n MET 149 N -3.32 1.34 -1.75 0.81 1.56 -0.10 -5.03 117.12 110.63 3ngf n MET 149 Ca -0.01 -3.68 -0.42 0.00 -0.27 0.00 0.00 57.70 53.32 3ngf n MET 149 Cb 0.94 -1.61 -0.01 0.00 2.15 0.00 0.00 33.22 34.69 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 0.94 2.64 -0.75 2.12 -0.04 -1.21 -2.10 135.00 136.59 3ngf n PRO 150 Ca 0.24 0.93 0.00 0.00 -0.04 0.00 0.00 63.50 64.64 3ngf n PRO 150 Cb 0.52 -2.69 0.00 0.00 -0.04 0.00 0.00 33.50 31.29 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 1.56 0.89 3.76 0.55 0.00 -1.26 -5.01 105.19 105.68 3ngf n GLY 151 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.50 2.50 0.21 1.61 5.04 -0.89 -1.54 117.35 120.77 3ngf s TYR 152 Ca 0.00 1.36 -0.10 0.00 -2.44 0.00 0.00 57.07 55.90 3ngf s TYR 152 Cb 0.00 -3.77 0.28 0.00 0.35 0.00 0.00 41.96 38.82 3ngf s TYR 152 CO 0.00 -2.62 1.74 0.35 -1.34 0.00 0.00 175.55 173.68 3ngf h PHE 153 N 2.02 0.37 -3.24 4.97 3.57 -1.72 -3.42 116.94 119.49 3ngf h PHE 153 Ca -0.50 0.03 -0.47 0.00 3.53 0.00 0.00 57.97 60.56 3ngf h PHE 153 Cb 1.27 -0.07 -0.38 0.00 2.79 0.00 0.00 35.95 39.56 3ngf h PHE 153 CO 0.49 0.08 -0.78 -1.50 -2.23 0.00 0.00 178.31 174.38 3ngf s ILE 154 N -6.10 0.57 0.00 1.41 1.10 -1.26 -5.00 121.20 111.93 3ngf s ILE 154 Ca -0.13 -0.04 0.00 0.00 -0.51 0.00 0.00 60.65 59.98 3ngf s ILE 154 Cb 0.17 -0.71 0.00 0.00 0.15 0.00 0.00 42.46 42.07 3ngf s ILE 154 CO 0.74 0.26 0.63 1.33 -2.11 0.00 0.00 174.94 175.80 3ngf n VAL 155 N 5.08 0.29 -4.57 4.00 0.24 -1.26 -1.53 118.33 120.58 3ngf n VAL 155 Ca -0.09 -0.30 -0.22 0.00 -2.04 0.00 0.00 64.34 61.69 3ngf n VAL 155 Cb 0.50 0.88 -0.16 0.00 -1.47 0.00 0.00 33.84 33.59 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 -0.29 1.24 0.02 6.34 3.76 -1.26 -4.65 115.29 120.46 3ngf s HIS 156 Ca 0.00 -0.32 -0.26 0.00 -0.15 0.00 0.00 55.06 54.33 3ngf s HIS 156 Cb 0.00 -0.85 -0.17 0.00 1.11 0.00 0.00 32.58 32.67 3ngf s HIS 156 CO 0.00 -0.11 1.35 1.96 -0.85 0.00 0.00 174.74 177.09 3ngf h GLN 157 N 6.26 -0.35 0.00 1.40 1.08 -1.96 -2.21 115.11 119.33 3ngf h GLN 157 Ca -0.33 0.02 -0.08 0.00 -1.45 0.00 0.00 58.65 56.82 3ngf h GLN 157 Cb 1.17 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.67 3ngf h GLN 157 CO 0.48 -0.06 -0.37 -0.07 -0.95 0.00 0.00 178.83 177.87 3ngf h LEU 158 N -0.64 0.00 -0.80 1.46 3.38 -1.99 -1.40 115.31 115.33 3ngf h LEU 158 Ca -0.04 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 3ngf h LEU 158 Cb 0.45 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 3ngf h LEU 158 CO 0.06 0.37 0.33 -0.08 0.09 0.00 0.00 178.44 179.21 3ngf h GLU 159 N 0.00 1.18 -0.52 1.13 4.81 -1.99 -1.00 114.58 118.20 3ngf h GLU 159 Ca -0.00 -0.21 -0.10 0.00 -0.13 0.00 0.00 59.36 58.92 3ngf h GLU 159 Cb 0.77 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 3ngf h GLU 159 CO 0.05 0.95 -0.06 0.00 -0.73 0.00 0.00 179.01 179.22 3ngf h ALA 160 N 1.17 0.71 -0.75 2.92 0.00 -0.71 -0.93 119.26 121.69 3ngf h ALA 160 Ca 0.27 -0.32 0.07 0.00 0.00 0.00 0.00 54.91 54.92 3ngf h ALA 160 Cb 0.20 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 3ngf h ALA 160 CO -0.02 0.58 0.43 0.28 0.00 0.00 0.00 179.25 180.51 3ngf h VAL 161 N 0.83 0.97 -0.74 0.00 2.07 -0.99 -0.22 116.25 118.17 3ngf h VAL 161 Ca 0.14 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 3ngf h VAL 161 Cb 0.61 0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 3ngf h VAL 161 CO 0.04 0.14 0.42 1.23 0.02 0.00 0.00 177.57 179.42 3ngf h GLY 162 N 0.77 1.10 1.08 2.17 0.00 -0.84 -1.65 103.07 105.70 3ngf h GLY 162 Ca 0.34 -0.49 -0.09 0.00 0.00 0.00 0.00 47.33 47.09 3ngf h GLY 162 CO -0.20 0.47 0.02 1.41 0.00 0.00 0.00 176.54 178.25 3ngf h LEU 163 N 1.02 1.05 -1.14 3.11 3.38 -0.54 -2.54 115.31 119.65 3ngf h LEU 163 Ca 0.26 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3ngf h LEU 163 Cb 0.02 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 3ngf h LEU 163 CO -0.04 1.09 0.29 0.58 0.09 0.00 0.00 178.44 180.44 3ngf h VAL 164 N 0.98 1.21 -0.85 1.22 2.07 -0.82 -1.86 116.25 118.20 3ngf h VAL 164 Ca 0.18 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 3ngf h VAL 164 Cb 0.53 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 3ngf h VAL 164 CO 0.03 0.25 0.46 0.50 0.02 0.00 0.00 177.57 178.83 3ngf h LYS 165 N 0.89 1.18 -0.23 1.57 3.64 -1.03 -2.30 116.57 120.29 3ngf h LYS 165 Ca 0.22 -0.13 -0.09 0.00 -1.27 0.00 0.00 60.65 59.38 3ngf h LYS 165 Cb 0.11 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 3ngf h LYS 165 CO -0.03 0.86 -0.23 0.00 -2.27 0.00 0.00 179.45 177.79 3ngf h ARG 166 N 1.18 0.42 -0.70 1.90 3.08 -1.02 -2.85 114.38 116.40 3ngf h ARG 166 Ca 0.30 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 60.19 3ngf h ARG 166 Cb 0.03 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 3ngf h ARG 166 CO -0.05 0.63 0.37 0.28 -1.07 0.00 0.00 179.97 180.14 3ngf h VAL 167 N 0.38 1.22 -5.22 2.04 2.07 -0.83 -3.47 116.25 112.43 3ngf h VAL 167 Ca 0.06 -0.56 -0.26 0.00 0.82 0.00 0.00 66.70 66.76 3ngf h VAL 167 Cb 0.61 0.31 0.16 0.00 -1.52 0.00 0.00 31.29 30.86 3ngf h VAL 167 CO 0.04 0.24 -0.72 -3.20 0.02 0.00 0.00 177.57 173.96 3ngf n ASN 168 N -4.49 -3.82 -3.80 0.57 5.15 -0.92 -4.84 115.26 103.11 3ngf n ASN 168 Ca 0.06 -0.59 -0.16 0.00 -0.60 0.00 0.00 54.58 53.29 3ngf n ASN 168 Cb 0.10 -4.66 -0.16 0.00 -0.53 0.00 0.00 39.78 34.53 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 -4.79 0.12 0.44 1.20 1.81 -1.26 -5.06 118.95 111.41 3ngf s ARG 169 Ca 0.18 0.13 0.17 0.00 -1.72 0.00 0.00 55.73 54.48 3ngf s ARG 169 Cb -0.02 -0.35 1.00 0.00 -0.45 0.00 0.00 34.95 35.13 3ngf s ARG 169 CO 0.65 -0.14 1.95 -1.35 -0.68 0.00 0.00 175.30 175.73 3ngf h PRO 170 N 7.22 0.00 -1.37 3.54 0.11 -1.97 -2.80 132.00 136.72 3ngf h PRO 170 Ca -0.44 0.00 -0.39 0.00 0.11 0.00 0.00 66.00 65.28 3ngf h PRO 170 Cb 1.13 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.07 3ngf h PRO 170 CO 0.48 0.24 0.51 0.27 -0.21 0.00 0.00 178.00 179.29 3ngf n ASN 171 N -4.07 6.46 -4.04 -2.05 6.94 -1.26 -4.80 115.26 112.43 3ngf n ASN 171 Ca -0.02 -3.20 -0.21 0.00 -0.02 0.00 0.00 54.58 51.12 3ngf n ASN 171 Cb 0.30 -1.01 -0.15 0.00 -2.36 0.00 0.00 39.78 36.56 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 -2.78 0.93 0.27 3.53 1.01 -1.06 -1.53 120.40 120.77 3ngf s VAL 172 Ca 0.38 -0.46 -0.07 0.00 0.00 0.00 0.00 61.98 61.83 3ngf s VAL 172 Cb 0.30 -0.81 0.03 0.00 0.00 0.00 0.00 36.38 35.90 3ngf s VAL 172 CO 0.00 0.28 0.47 0.00 0.00 0.00 0.00 175.10 175.85 3ngf n ALA 173 N 3.10 -0.83 -2.70 5.51 0.00 -1.01 -4.94 120.51 119.64 3ngf n ALA 173 Ca -0.17 -1.00 -0.37 0.00 0.00 0.00 0.00 53.44 51.90 3ngf n ALA 173 Cb 0.55 0.80 -0.06 0.00 0.00 0.00 0.00 19.45 20.73 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 -2.51 5.27 -0.42 0.00 1.01 -0.62 -1.90 120.40 121.23 3ngf s VAL 174 Ca 0.15 0.49 -0.18 0.00 0.00 0.00 0.00 61.98 62.44 3ngf s VAL 174 Cb -0.02 -3.55 0.02 0.00 0.00 0.00 0.00 36.38 32.83 3ngf s VAL 174 CO 0.11 0.58 0.47 -1.58 0.00 0.00 0.00 175.10 174.68 3ngf s GLN 175 N -1.12 3.12 -0.74 2.72 0.74 0.16 -1.83 119.66 122.71 3ngf s GLN 175 Ca 0.20 -0.71 -0.17 0.00 0.05 0.00 0.00 55.36 54.73 3ngf s GLN 175 Cb -0.14 -3.97 0.14 0.00 1.10 0.00 0.00 33.01 30.14 3ngf s GLN 175 CO 0.09 -0.88 0.82 -1.17 -0.55 0.00 0.00 175.29 173.61 3ngf s LEU 176 N 2.23 5.71 -0.40 3.68 2.96 -0.19 -4.19 118.68 128.49 3ngf s LEU 176 Ca 0.14 -1.95 -0.21 0.00 -0.22 0.00 0.00 54.13 51.89 3ngf s LEU 176 Cb -0.17 -2.30 0.01 0.00 0.50 0.00 0.00 46.19 44.24 3ngf s LEU 176 CO 0.14 -0.95 0.66 -0.62 -1.32 0.00 0.00 176.35 174.27 3ngf s ASP 177 N 3.22 6.39 0.47 3.68 -1.08 -1.26 -1.39 116.67 126.70 3ngf s ASP 177 Ca 0.18 -0.06 0.27 0.00 -0.52 0.00 0.00 52.55 52.43 3ngf s ASP 177 Cb -0.16 -2.33 1.01 0.00 -1.46 0.00 0.00 42.92 39.98 3ngf s ASP 177 CO -0.02 -0.70 1.86 -0.07 0.52 0.00 0.00 175.17 176.76 3ngf h LEU 178 N 9.59 0.00 0.09 -1.34 3.38 -1.36 -0.43 115.31 125.24 3ngf h LEU 178 Ca -0.26 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 3ngf h LEU 178 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3ngf h LEU 178 CO 0.87 0.15 -0.04 0.22 0.09 0.00 0.00 178.44 179.73 3ngf h TYR 179 N 0.00 -0.11 -0.53 1.13 3.20 -1.79 0.12 116.97 118.98 3ngf h TYR 179 Ca -0.00 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.76 3ngf h TYR 179 Cb 0.70 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.99 3ngf h TYR 179 CO 0.00 -0.03 -0.09 0.45 -1.64 0.00 0.00 178.16 176.85 3ngf h HIS 180 N -0.17 1.08 -0.64 -3.82 3.86 -1.69 -2.69 115.15 111.09 3ngf h HIS 180 Ca -0.01 -0.21 -0.09 0.00 -1.16 0.00 0.00 60.37 58.90 3ngf h HIS 180 Cb 0.13 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.31 3ngf h HIS 180 CO -0.06 1.01 0.06 0.00 0.86 0.00 0.00 177.93 179.80 3ngf h ALA 181 N 1.01 0.89 -0.34 2.45 0.00 -1.03 -1.80 119.26 120.44 3ngf h ALA 181 Ca 0.14 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 3ngf h ALA 181 Cb 0.64 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3ngf h ALA 181 CO 0.04 0.67 -0.24 0.37 0.00 0.00 0.00 179.25 180.09 3ngf h GLN 182 N 1.01 0.68 -0.28 0.00 5.75 -0.90 0.49 115.11 121.86 3ngf h GLN 182 Ca 0.19 -0.27 -0.13 0.00 -0.15 0.00 0.00 58.65 58.29 3ngf h GLN 182 Cb 0.49 -0.03 -0.00 0.00 1.07 0.00 0.00 27.48 29.00 3ngf h GLN 182 CO 0.02 0.86 -0.33 0.82 -2.65 0.00 0.00 178.83 177.55 3ngf h ILE 183 N 0.59 1.30 0.04 2.39 2.04 -1.27 -3.32 117.51 119.28 3ngf h ILE 183 Ca 0.08 -1.51 -0.34 0.00 1.00 0.00 0.00 64.86 64.09 3ngf h ILE 183 Cb 0.72 1.62 -0.05 0.00 -0.74 0.00 0.00 36.82 38.38 3ngf h ILE 183 CO 0.06 0.48 -2.02 0.23 0.00 0.00 0.00 178.15 176.90 3ngf n MET 184 N -4.23 0.68 0.00 2.37 2.81 -0.69 -4.85 117.12 113.21 3ngf n MET 184 Ca -0.04 0.21 0.00 0.00 -1.81 0.00 0.00 57.70 56.06 3ngf n MET 184 Cb 0.50 -1.68 0.00 0.00 -0.71 0.00 0.00 33.22 31.32 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 -3.14 0.82 -0.08 7.83 8.00 0.01 -5.05 116.55 124.94 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 1.06 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.16 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 2.99 -0.66 3.87 0.44 0.00 -0.32 -4.96 105.19 106.54 3ngf n GLY 186 Ca 0.00 -1.13 -0.26 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.18 -1.36 -0.00 1.61 2.03 -1.26 -4.80 116.55 111.59 3ngf n ASP 187 Ca 0.00 -0.98 -0.09 0.00 0.52 0.00 0.00 54.79 54.23 3ngf n ASP 187 Cb 0.00 -3.25 0.06 0.00 -0.72 0.00 0.00 41.12 37.21 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 -1.86 0.64 -0.06 -2.67 3.38 -1.95 0.14 115.31 112.93 3ngf h LEU 188 Ca -0.64 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.00 3ngf h LEU 188 Cb 1.37 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 3ngf h LEU 188 CO 0.59 1.04 0.03 0.74 0.09 0.00 0.00 178.44 180.92 3ngf h THR 189 N 0.45 1.12 0.00 0.22 2.02 -2.00 0.21 112.91 114.93 3ngf h THR 189 Ca 0.02 -0.35 -0.10 0.00 0.77 0.00 0.00 66.41 66.74 3ngf h THR 189 Cb 1.06 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.70 3ngf h THR 189 CO 0.10 0.10 -0.49 0.03 0.37 0.00 0.00 175.52 175.63 3ngf h ARG 190 N -0.04 0.00 -0.08 6.66 2.47 -1.93 -1.80 114.38 119.66 3ngf h ARG 190 Ca 0.02 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.73 3ngf h ARG 190 Cb 0.14 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.45 3ngf h ARG 190 CO -0.00 0.49 -0.01 1.25 0.56 0.00 0.00 179.97 182.26 3ngf h LEU 191 N 0.00 0.14 -0.72 3.04 5.85 -0.71 -0.38 115.31 122.54 3ngf h LEU 191 Ca -0.00 -0.33 0.08 0.00 0.84 0.00 0.00 57.88 58.46 3ngf h LEU 191 Cb 0.91 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.84 3ngf h LEU 191 CO 0.06 0.44 0.39 0.40 -0.34 0.00 0.00 178.44 179.40 3ngf h ILE 192 N -0.16 0.92 -0.69 4.05 2.04 -0.80 0.95 117.51 123.83 3ngf h ILE 192 Ca 0.02 -0.24 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 3ngf h ILE 192 Cb 0.37 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 3ngf h ILE 192 CO 0.01 0.13 0.26 -0.33 0.00 0.00 0.00 178.15 178.21 3ngf h GLU 193 N 0.69 1.04 -0.29 2.37 5.08 -1.20 -1.63 114.58 120.64 3ngf h GLU 193 Ca 0.34 -0.20 -0.09 0.00 -1.00 0.00 0.00 59.36 58.41 3ngf h GLU 193 Cb 0.27 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3ngf h GLU 193 CO -0.22 0.87 -0.21 0.87 -1.00 0.00 0.00 179.01 179.32 3ngf h LYS 194 N 0.98 0.53 -0.11 2.33 1.57 -0.37 -3.03 116.57 118.47 3ngf h LYS 194 Ca 0.23 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3ngf h LYS 194 Cb 0.23 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3ngf h LYS 194 CO -0.02 0.71 0.00 -1.33 -0.57 0.00 0.00 179.45 178.25 3ngf n MET 195 N -4.14 1.61 -1.73 3.15 2.81 0.27 -4.95 117.12 114.14 3ngf n MET 195 Ca 0.00 -0.91 -0.42 0.00 -1.81 0.00 0.00 57.70 54.56 3ngf n MET 195 Cb 0.39 -1.40 -0.02 0.00 -0.71 0.00 0.00 33.22 31.47 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 0.13 3.88 0.00 7.83 5.15 -0.65 -0.30 115.26 131.29 3ngf n ASN 196 Ca 0.17 1.10 0.00 0.00 -0.60 0.00 0.00 54.58 55.25 3ngf n ASN 196 Cb 0.30 -1.57 0.00 0.00 -0.53 0.00 0.00 39.78 37.97 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 3.13 0.93 0.14 8.20 0.00 -1.26 -4.88 105.19 111.45 3ngf n GLY 197 Ca 0.13 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.17 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 0.62 2.49 -2.74 4.61 0.00 0.58 -4.98 120.51 121.09 3ngf n ALA 198 Ca 0.00 -0.50 -0.31 0.00 0.00 0.00 0.00 53.44 52.63 3ngf n ALA 198 Cb 0.00 -0.12 -0.16 0.00 0.00 0.00 0.00 19.45 19.16 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 -0.38 2.41 -1.10 0.00 -0.71 -1.24 -1.60 117.98 115.36 3ngf s PHE 199 Ca 0.04 -0.71 0.11 0.00 -1.04 0.00 0.00 56.93 55.33 3ngf s PHE 199 Cb 0.03 -1.58 0.02 0.00 -1.21 0.00 0.00 43.02 40.28 3ngf s PHE 199 CO 0.05 -0.21 0.71 0.43 -1.34 0.00 0.00 175.22 174.86 3ngf n SER 200 N 2.95 1.45 -3.67 1.98 7.64 -0.76 -4.92 113.62 118.29 3ngf n SER 200 Ca -0.17 -1.23 -0.15 0.00 1.01 0.00 0.00 58.87 58.33 3ngf n SER 200 Cb 0.52 0.34 -0.08 0.00 -1.01 0.00 0.00 64.21 63.98 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 -1.29 -0.37 0.02 1.43 5.65 -1.25 -4.66 115.29 114.82 3ngf s HIS 201 Ca 0.10 0.64 0.04 0.00 0.25 0.00 0.00 55.06 56.09 3ngf s HIS 201 Cb 0.09 0.21 -0.02 0.00 -1.18 0.00 0.00 32.58 31.68 3ngf s HIS 201 CO 0.23 -0.46 -0.13 0.08 -0.65 0.00 0.00 174.74 173.82 3ngf s VAL 202 N -1.17 1.01 0.12 0.89 1.01 -1.20 -1.03 120.40 120.03 3ngf s VAL 202 Ca -0.12 -0.81 0.06 0.00 0.00 0.00 0.00 61.98 61.11 3ngf s VAL 202 Cb -0.03 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 3ngf s VAL 202 CO 0.06 0.09 -0.14 -1.10 0.00 0.00 0.00 175.10 174.01 3ngf s GLN 203 N -0.82 0.99 0.04 2.72 -0.21 -0.49 -0.03 119.66 121.87 3ngf s GLN 203 Ca 0.02 -1.21 0.02 0.00 0.02 0.00 0.00 55.36 54.21 3ngf s GLN 203 Cb -0.07 -0.87 -0.02 0.00 1.00 0.00 0.00 33.01 33.05 3ngf s GLN 203 CO 0.01 0.17 -0.07 0.96 -2.12 0.00 0.00 175.29 174.24 3ngf s ILE 204 N -2.07 0.44 -0.16 1.08 -4.36 -0.40 -0.80 121.20 114.93 3ngf s ILE 204 Ca 0.08 -1.08 -0.30 0.00 -0.26 0.00 0.00 60.65 59.09 3ngf s ILE 204 Cb -0.05 -0.57 0.13 0.00 1.25 0.00 0.00 42.46 43.21 3ngf s ILE 204 CO 0.03 -0.43 1.02 0.00 0.24 0.00 0.00 174.94 175.80 3ngf s ALA 205 N -1.50 -1.94 0.60 2.27 0.00 -1.26 -2.87 121.76 117.06 3ngf s ALA 205 Ca -0.10 1.56 -0.20 0.00 0.00 0.00 0.00 51.96 53.22 3ngf s ALA 205 Cb -0.09 -0.65 -0.03 0.00 0.00 0.00 0.00 23.12 22.35 3ngf s ALA 205 CO -0.00 -0.35 1.32 -1.13 0.00 0.00 0.00 175.76 175.60 3ngf n SER 206 N 0.59 2.34 -4.31 0.00 3.41 0.43 -4.52 113.62 111.57 3ngf n SER 206 Ca -0.09 0.90 -0.32 0.00 -0.26 0.00 0.00 58.87 59.09 3ngf n SER 206 Cb 0.58 -1.56 -0.15 0.00 -0.26 0.00 0.00 64.21 62.81 3ngf n SER 206 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3ngf s VAL 207 N -1.34 2.61 -1.89 -3.33 1.01 -1.26 -0.60 120.40 115.60 3ngf s VAL 207 Ca 0.78 -0.83 0.25 0.00 0.00 0.00 0.00 61.98 62.18 3ngf s VAL 207 Cb -0.40 -2.05 0.14 0.00 0.00 0.00 0.00 36.38 34.07 3ngf s VAL 207 CO 0.44 0.54 1.34 -0.81 0.00 0.00 0.00 175.10 176.62 3ngf n PRO 208 N 3.48 1.01 0.00 2.72 -0.04 -1.26 -1.12 135.00 139.79 3ngf n PRO 208 Ca -0.18 -0.73 0.13 0.00 -0.04 0.00 0.00 63.50 62.68 3ngf n PRO 208 Cb 0.53 -1.48 0.39 0.00 -0.04 0.00 0.00 33.50 32.90 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 -0.36 1.82 -2.98 3.54 8.00 -1.24 -4.95 116.55 120.38 3ngf n ASP 209 Ca 0.11 -1.55 -0.17 0.00 0.71 0.00 0.00 54.79 53.88 3ngf n ASP 209 Cb 0.40 0.03 0.07 0.00 -0.02 0.00 0.00 41.12 41.60 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 0.35 -6.01 -0.59 -1.24 0.63 0.23 -4.91 116.66 105.13 3ngf n ARG 210 Ca 0.17 0.67 0.00 0.00 -0.92 0.00 0.00 57.85 57.77 3ngf n ARG 210 Cb 0.41 -5.22 0.00 0.00 0.45 0.00 0.00 32.46 28.11 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 -4.14 -0.31 -1.49 -0.14 8.25 -1.26 -0.44 115.22 115.69 3ngf n HIS 211 Ca -0.08 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 56.93 3ngf n HIS 211 Cb 0.58 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.68 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 -0.10 0.75 -0.68 -0.41 4.71 -1.26 -0.43 120.64 123.22 3ngf n GLU 212 Ca 0.00 0.26 -0.05 0.00 -0.01 0.00 0.00 57.16 57.36 3ngf n GLU 212 Cb 0.00 -1.52 -0.07 0.00 -1.01 0.00 0.00 31.44 28.84 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 0.74 1.36 -0.21 3.49 -0.04 -1.26 -3.43 135.00 135.65 3ngf n PRO 213 Ca 0.12 -0.42 0.03 0.00 -0.04 0.00 0.00 63.50 63.19 3ngf n PRO 213 Cb 0.33 -1.46 0.05 0.00 -0.04 0.00 0.00 33.50 32.38 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 1.99 1.06 -4.04 3.54 5.75 -1.26 -4.56 116.55 119.02 3ngf n ASP 214 Ca 0.18 -2.21 -0.10 0.00 -0.01 0.00 0.00 54.79 52.66 3ngf n ASP 214 Cb 0.64 -0.22 -0.08 0.00 -1.03 0.00 0.00 41.12 40.44 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 -1.10 1.15 0.45 0.11 -1.05 -1.22 -5.11 118.70 111.93 3ngf s GLU 215 Ca 0.11 -1.31 0.00 0.00 -0.15 0.00 0.00 54.97 53.62 3ngf s GLU 215 Cb 0.09 0.34 0.00 0.00 -0.44 0.00 0.00 34.13 34.12 3ngf s GLU 215 CO 0.01 -0.41 0.00 0.41 0.95 0.00 0.00 175.26 176.22 3ngf n GLY 216 N -0.21 -1.81 0.17 -3.83 0.00 -1.26 -4.45 105.19 93.80 3ngf n GLY 216 Ca -0.05 -1.82 0.13 0.00 0.00 0.00 0.00 46.02 44.28 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 -5.78 1.61 4.11 -1.53 -3.45 114.58 109.54 3ngf h GLU 217 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.36 58.78 3ngf h GLU 217 Cb 0.00 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 3ngf h GLU 217 CO 0.00 0.00 -0.41 -0.51 0.07 0.00 0.00 179.01 178.16 3ngf s LEU 218 N -5.44 4.40 -0.90 3.06 1.43 -1.26 -5.04 118.68 114.92 3ngf s LEU 218 Ca 0.08 0.56 -0.17 0.00 -1.03 0.00 0.00 54.13 53.57 3ngf s LEU 218 Cb 0.08 -2.36 0.16 0.00 0.03 0.00 0.00 46.19 44.11 3ngf s LEU 218 CO 0.61 0.34 1.01 0.21 0.23 0.00 0.00 176.35 178.75 3ngf s ASN 219 N -1.29 6.69 0.30 2.29 2.47 -1.26 -4.78 114.94 119.35 3ngf s ASN 219 Ca 0.21 -2.29 0.01 0.00 0.42 0.00 0.00 52.86 51.21 3ngf s ASN 219 Cb -0.13 -2.33 0.49 0.00 -1.45 0.00 0.00 41.25 37.82 3ngf s ASN 219 CO 0.10 -0.88 1.84 1.88 -3.72 0.00 0.00 177.10 176.32 3ngf h TYR 220 N 8.43 0.71 -0.74 0.43 0.05 -1.96 -2.40 116.97 121.49 3ngf h TYR 220 Ca 0.14 -0.07 0.06 0.00 0.05 0.00 0.00 58.73 58.91 3ngf h TYR 220 Cb 1.03 -0.21 -0.05 0.00 1.01 0.00 0.00 36.73 38.52 3ngf h TYR 220 CO 1.12 0.64 0.49 -1.35 -1.05 0.00 0.00 178.16 178.01 3ngf h PRO 221 N 0.66 0.79 -0.42 4.88 0.11 -1.92 0.46 132.00 136.56 3ngf h PRO 221 Ca 0.14 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.17 3ngf h PRO 221 Cb 0.33 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.24 3ngf h PRO 221 CO 0.01 0.52 0.12 -0.92 -0.21 0.00 0.00 178.00 177.52 3ngf h TYR 222 N 0.81 0.69 -0.47 0.65 3.20 -1.87 -2.49 116.97 117.48 3ngf h TYR 222 Ca 0.32 -0.07 -0.08 0.00 3.14 0.00 0.00 58.73 62.03 3ngf h TYR 222 Cb 0.20 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 3ngf h TYR 222 CO -0.00 0.64 -0.03 -0.07 -1.64 0.00 0.00 178.16 177.06 3ngf h LEU 223 N 0.54 0.77 -1.32 2.82 3.38 -1.03 -0.82 115.31 119.64 3ngf h LEU 223 Ca 0.13 -0.20 0.06 0.00 0.09 0.00 0.00 57.88 57.97 3ngf h LEU 223 Cb 0.28 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 3ngf h LEU 223 CO -0.00 0.86 0.50 -0.26 0.09 0.00 0.00 178.44 179.63 3ngf h PHE 224 N 0.74 0.83 -0.01 1.13 0.04 -0.79 -1.47 116.94 117.42 3ngf h PHE 224 Ca 0.14 0.02 -0.13 0.00 2.80 0.00 0.00 57.97 60.80 3ngf h PHE 224 Cb 0.49 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.35 3ngf h PHE 224 CO 0.03 0.44 -0.61 0.66 -0.60 0.00 0.00 178.31 178.23 3ngf h SER 225 N 0.83 0.03 -0.22 2.17 4.64 -0.73 -2.28 113.55 117.99 3ngf h SER 225 Ca 0.33 -0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.58 3ngf h SER 225 Cb 0.23 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 3ngf h SER 225 CO -0.11 0.63 -0.06 0.58 -0.87 0.00 0.00 176.83 177.00 3ngf h VAL 226 N 0.02 1.29 -0.79 0.95 2.07 -0.50 -1.05 116.25 118.24 3ngf h VAL 226 Ca -0.01 -1.07 0.05 0.00 0.82 0.00 0.00 66.70 66.49 3ngf h VAL 226 Cb 1.09 1.55 -0.06 0.00 -1.52 0.00 0.00 31.29 32.35 3ngf h VAL 226 CO 0.08 0.33 0.49 -0.07 0.02 0.00 0.00 177.57 178.42 3ngf h LEU 227 N 0.15 0.77 -0.54 2.57 3.38 -1.08 -1.56 115.31 119.01 3ngf h LEU 227 Ca 0.05 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 3ngf h LEU 227 Cb 0.53 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3ngf h LEU 227 CO 0.02 0.51 0.03 -0.33 0.09 0.00 0.00 178.44 178.76 3ngf h GLU 228 N 0.91 0.92 -0.80 1.13 4.39 -1.25 -1.06 114.58 118.82 3ngf h GLU 228 Ca 0.34 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 59.76 3ngf h GLU 228 Cb 0.12 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.64 3ngf h GLU 228 CO -0.15 0.92 0.50 0.66 -1.16 0.00 0.00 179.01 179.78 3ngf h SER 229 N 0.80 0.94 0.29 1.42 4.64 -0.49 -1.92 113.55 119.24 3ngf h SER 229 Ca 0.16 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3ngf h SER 229 Cb 0.49 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3ngf h SER 229 CO 0.02 0.71 -0.05 1.33 -0.87 0.00 0.00 176.83 177.97 3ngf n VAL 230 N -4.39 0.00 -1.16 0.95 0.24 -0.65 -4.92 118.33 108.40 3ngf n VAL 230 Ca 0.09 -0.05 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 3ngf n VAL 230 Cb 0.05 -0.23 0.00 0.00 -1.47 0.00 0.00 33.84 32.19 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 1.21 0.69 3.70 7.63 0.00 -0.72 -4.91 105.19 112.77 3ngf n GLY 231 Ca 0.17 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.00 3.13 -0.08 1.61 5.04 -0.42 -4.90 117.35 119.74 3ngf s TYR 232 Ca 0.00 1.08 0.15 0.00 -2.44 0.00 0.00 57.07 55.86 3ngf s TYR 232 Cb 0.00 -3.52 0.31 0.00 0.35 0.00 0.00 41.96 39.10 3ngf s TYR 232 CO 0.00 -1.77 1.14 0.54 -1.34 0.00 0.00 175.55 174.12 3ngf n ARG 233 N 4.89 0.63 0.00 4.97 5.12 -1.26 -4.65 116.66 126.36 3ngf n ARG 233 Ca 0.11 -2.23 0.00 0.00 -1.93 0.00 0.00 57.85 53.80 3ngf n ARG 233 Cb 0.45 -0.78 0.00 0.00 -1.16 0.00 0.00 32.46 30.97 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 -0.35 0.33 3.78 -0.13 0.00 -1.26 -5.04 105.19 102.52 3ngf n GLY 234 Ca 0.10 -1.64 -0.22 0.00 0.00 0.00 0.00 46.02 44.25 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 0.45 2.97 -0.30 1.61 0.52 -1.26 -4.46 118.94 118.46 3ngf s TRP 235 Ca 0.00 -0.16 -0.01 0.00 0.02 0.00 0.00 56.10 55.94 3ngf s TRP 235 Cb 0.00 -1.38 0.05 0.00 -1.15 0.00 0.00 33.47 30.99 3ngf s TRP 235 CO 0.00 0.52 -0.01 0.08 0.02 0.00 0.00 176.95 177.56 3ngf s VAL 236 N -2.21 2.91 0.06 4.03 1.01 0.48 -3.23 120.40 123.44 3ngf s VAL 236 Ca 0.33 -1.44 -0.30 0.00 0.00 0.00 0.00 61.98 60.57 3ngf s VAL 236 Cb -0.07 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 3ngf s VAL 236 CO 0.24 -0.12 0.99 -0.83 0.00 0.00 0.00 175.10 175.38 3ngf s GLY 237 N 1.25 2.91 -1.20 4.51 0.00 0.96 -1.08 107.32 114.68 3ngf s GLY 237 Ca -0.05 0.59 -0.10 0.00 0.00 0.00 0.00 44.72 45.15 3ngf s GLY 237 CO -0.02 1.62 1.51 0.00 0.00 0.00 0.00 173.10 176.21 3ngf n GLU 239 N 3.99 4.02 -4.25 0.00 2.13 -1.14 -3.23 120.64 122.16 3ngf n GLU 239 Ca 0.34 -4.13 -0.15 0.00 0.66 0.00 0.00 57.16 53.88 3ngf n GLU 239 Cb 0.39 -2.70 -0.10 0.00 0.27 0.00 0.00 31.44 29.30 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 -1.23 1.29 -0.37 4.31 -0.85 -1.26 -4.57 117.35 114.67 3ngf s TYR 240 Ca 0.35 -0.73 -0.16 0.00 -0.52 0.00 0.00 57.07 56.01 3ngf s TYR 240 Cb 0.05 -0.65 -0.00 0.00 0.38 0.00 0.00 41.96 41.73 3ngf s TYR 240 CO 0.05 0.10 0.40 -0.80 -1.52 0.00 0.00 175.55 173.78 3ngf s ASN 241 N -3.09 6.20 0.42 -0.18 0.01 0.41 -4.20 114.94 114.50 3ngf s ASN 241 Ca 0.16 -0.36 -0.26 0.00 -0.71 0.00 0.00 52.86 51.69 3ngf s ASN 241 Cb 0.02 -2.21 -0.10 0.00 0.41 0.00 0.00 41.25 39.37 3ngf s ASN 241 CO 0.01 -0.43 1.38 -2.65 -1.51 0.00 0.00 177.10 173.90 3ngf n PRO 242 N 5.49 2.22 -0.17 -0.60 -0.02 -1.26 -4.09 135.00 136.57 3ngf n PRO 242 Ca -0.08 0.79 -0.01 0.00 -2.02 0.00 0.00 63.50 62.17 3ngf n PRO 242 Cb 0.49 -2.53 0.07 0.00 -0.02 0.00 0.00 33.50 31.50 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 2.37 0.13 0.00 -0.52 3.08 -1.95 -3.46 114.38 114.04 3ngf h ARG 243 Ca -0.49 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.55 3ngf h ARG 243 Cb 1.27 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.29 3ngf h ARG 243 CO 0.61 0.09 0.00 0.41 -1.07 0.00 0.00 179.97 180.01 3ngf n GLY 244 N -1.32 4.20 3.75 0.04 0.00 -1.26 -5.10 105.19 105.49 3ngf n GLY 244 Ca 0.06 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 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 3.79 4.25 0.14 1.61 2.20 -1.26 -4.93 119.74 125.55 3ngf s LYS 245 Ca 0.00 2.33 -0.22 0.00 -0.36 0.00 0.00 55.97 57.72 3ngf s LYS 245 Cb 0.00 -3.10 0.02 0.00 -1.51 0.00 0.00 37.83 33.24 3ngf s LYS 245 CO 0.00 -0.44 1.64 1.15 -0.36 0.00 0.00 175.35 177.34 3ngf h THR 246 N 3.52 0.47 0.00 3.43 2.02 -1.99 -2.36 112.91 118.01 3ngf h THR 246 Ca -0.46 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 66.66 3ngf h THR 246 Cb 1.22 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 3ngf h THR 246 CO 0.78 0.00 -0.28 -0.33 0.37 0.00 0.00 175.52 176.06 3ngf h GLU 247 N -0.22 0.00 0.00 6.66 3.07 -2.00 -2.27 114.58 119.81 3ngf h GLU 247 Ca 0.13 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.99 3ngf h GLU 247 Cb 0.41 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.32 3ngf h GLU 247 CO -0.34 0.28 -0.00 0.77 -1.40 0.00 0.00 179.01 178.32 3ngf h SER 248 N 0.00 0.00 -0.05 1.42 0.02 -1.81 -2.88 113.55 110.25 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 0.69 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.23 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 -0.17 0.18 0.93 -3.77 0.00 -0.86 -4.59 105.19 96.92 3ngf n GLY 249 Ca -0.00 -0.47 0.05 0.00 0.00 0.00 0.00 46.02 45.60 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 0.35 2.66 -0.16 0.99 4.77 -1.09 -4.22 117.00 120.31 3ngf n LEU 250 Ca 0.18 -1.34 0.09 0.00 -0.03 0.00 0.00 56.01 54.91 3ngf n LEU 250 Cb 0.38 -0.40 0.41 0.00 -2.33 0.00 0.00 43.42 41.48 3ngf n LEU 250 CO 0.16 0.49 1.21 0.00 -1.33 0.00 0.00 177.39 177.92 3ngf h ALA 251 N 3.45 1.83 -0.10 -1.18 0.00 -1.83 -1.55 119.26 119.88 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 0.83 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3ngf h ALA 251 CO 0.11 0.03 -0.03 0.11 0.00 0.00 0.00 179.25 179.46 3ngf h TRP 252 N 0.62 0.13 0.00 0.00 5.08 -1.98 -2.07 115.95 117.73 3ngf h TRP 252 Ca 0.32 -0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.28 3ngf h TRP 252 Cb 0.42 -0.04 0.00 0.00 -3.00 0.00 0.00 29.16 26.54 3ngf h TRP 252 CO -0.00 0.18 -0.34 0.34 -1.28 0.00 0.00 178.44 177.33 3ngf n PHE 253 N -4.42 0.73 -0.27 0.12 7.35 -0.60 -4.41 117.46 115.97 3ngf n PHE 253 Ca -0.01 0.21 0.07 0.00 -0.76 0.00 0.00 57.45 56.96 3ngf n PHE 253 Cb 0.16 -0.79 0.20 0.00 0.35 0.00 0.00 39.48 39.41 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 2.52 0.97 0.00 3.13 0.00 -1.21 0.38 119.26 125.04 3ngf h ALA 254 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3ngf h ALA 254 Cb 0.74 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3ngf h ALA 254 CO 0.00 -0.41 0.00 -1.35 0.00 0.00 0.00 179.25 177.49 3ngf h PRO 255 N 0.18 0.00 -0.00 0.00 0.11 -1.80 -3.21 132.00 127.28 3ngf h PRO 255 Ca 0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.56 3ngf h PRO 255 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 3ngf h PRO 255 CO -0.62 0.00 -0.31 0.66 -0.21 0.00 0.00 178.00 177.52 3ngf n TYR 256 N -2.78 0.00 -2.01 0.65 4.01 0.09 -5.06 117.16 112.06 3ngf n TYR 256 Ca -0.01 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.39 3ngf n TYR 256 Cb 0.12 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.17 3ngf n TYR 256 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 3ngf s ARG 257 N -1.58 3.18 0.00 -0.72 1.70 -1.02 -4.92 118.95 115.59 3ngf s ARG 257 Ca 0.06 1.32 0.00 0.00 -0.47 0.00 0.00 55.73 56.64 3ngf s ARG 257 Cb 0.07 -2.01 0.00 0.00 -0.57 0.00 0.00 34.95 32.45 3ngf s ARG 257 CO 0.30 -0.93 0.00 -0.25 -1.08 0.00 0.00 175.30 173.34