#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ngb s VAL 2 N 0.00 2.35 -0.01 -0.39 1.01 -1.26 -4.50 120.40 117.60 3ngb s VAL 2 Ca 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 61.98 62.03 3ngb s VAL 2 Cb 0.00 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.35 3ngb s VAL 2 CO 0.00 0.00 0.01 -1.58 0.00 0.00 0.00 175.10 173.54 3ngb s GLN 3 N 2.10 0.01 -0.21 2.72 0.74 -0.05 -5.02 119.66 119.96 3ngb s GLN 3 Ca 0.78 0.02 0.02 0.00 0.05 0.00 0.00 55.36 56.23 3ngb s GLN 3 Cb -0.47 0.00 0.04 0.00 1.10 0.00 0.00 33.01 33.68 3ngb s GLN 3 CO 0.34 -0.01 -0.15 -0.51 -0.55 0.00 0.00 175.29 174.42 3ngb s LEU 4 N 0.03 2.59 -0.36 3.68 1.02 -1.26 -1.76 118.68 122.62 3ngb s LEU 4 Ca -0.00 -0.94 -0.10 0.00 0.02 0.00 0.00 54.13 53.11 3ngb s LEU 4 Cb -0.00 -1.44 0.03 0.00 0.02 0.00 0.00 46.19 44.79 3ngb s LEU 4 CO -0.00 -0.09 0.18 -0.69 0.02 0.00 0.00 176.35 175.76 3ngb s VAL 5 N 1.25 4.37 0.45 -1.59 1.01 0.49 -4.34 120.40 122.04 3ngb s VAL 5 Ca -0.01 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.05 3ngb s VAL 5 Cb -0.16 -3.45 -0.00 0.00 0.00 0.00 0.00 36.38 32.77 3ngb s VAL 5 CO -0.09 -0.22 0.66 -1.10 0.00 0.00 0.00 175.10 174.35 3ngb s GLN 6 N 1.51 3.02 0.00 2.72 -0.21 -1.26 -1.03 119.66 124.42 3ngb s GLN 6 Ca 0.01 -0.56 0.00 0.00 0.02 0.00 0.00 55.36 54.83 3ngb s GLN 6 Cb -0.19 -2.57 0.00 0.00 1.00 0.00 0.00 33.01 31.24 3ngb s GLN 6 CO 0.06 -0.28 0.00 -1.13 -2.12 0.00 0.00 175.29 171.81 3ngb n SER 7 N -2.07 -0.49 -4.98 5.90 3.41 -0.89 -4.97 113.62 109.54 3ngb n SER 7 Ca 0.02 -0.39 -0.20 0.00 -0.26 0.00 0.00 58.87 58.04 3ngb n SER 7 Cb 0.58 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.56 3ngb n SER 7 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3ngb s GLY 8 N -2.02 1.85 0.68 5.00 0.00 -1.26 -4.68 107.32 106.90 3ngb s GLY 8 Ca 0.00 -1.41 -0.14 0.00 0.00 0.00 0.00 44.72 43.17 3ngb s GLY 8 CO 0.00 -1.14 1.10 -0.32 0.00 0.00 0.00 173.10 172.73 3ngb s GLY 9 N -4.41 2.00 0.03 0.20 0.00 -1.26 -4.78 107.32 99.10 3ngb s GLY 9 Ca 0.57 0.43 0.01 0.00 0.00 0.00 0.00 44.72 45.73 3ngb s GLY 9 CO 0.37 0.78 -0.06 1.20 0.00 0.00 0.00 173.10 175.39 3ngb s GLN 10 N -4.35 0.45 -0.16 2.90 -0.21 -0.55 -4.97 119.66 112.77 3ngb s GLN 10 Ca 0.65 -0.68 -0.00 0.00 0.02 0.00 0.00 55.36 55.34 3ngb s GLN 10 Cb -0.19 -0.17 -0.01 0.00 1.00 0.00 0.00 33.01 33.65 3ngb s GLN 10 CO 0.45 0.02 -0.13 -1.64 -2.12 0.00 0.00 175.29 171.87 3ngb s MET 11 N -1.47 3.29 0.38 2.91 -1.94 -1.26 -2.19 119.30 119.02 3ngb s MET 11 Ca -0.11 -0.71 0.06 0.00 -1.71 0.00 0.00 55.69 53.21 3ngb s MET 11 Cb -0.10 -2.68 -0.07 0.00 2.01 0.00 0.00 34.83 33.99 3ngb s MET 11 CO -0.00 0.04 0.03 0.15 -0.01 0.00 0.00 175.02 175.23 3ngb s LYS 12 N 0.78 1.84 0.13 2.03 3.01 -0.42 -4.98 119.74 122.13 3ngb s LYS 12 Ca -0.05 -2.04 0.09 0.00 -1.01 0.00 0.00 55.97 52.96 3ngb s LYS 12 Cb -0.15 -1.34 -0.04 0.00 -1.01 0.00 0.00 37.83 35.29 3ngb s LYS 12 CO 0.01 -0.11 -0.18 0.15 0.51 0.00 0.00 175.35 175.73 3ngb s LYS 13 N -3.78 1.76 -0.22 1.68 1.02 -1.26 -2.60 119.74 116.34 3ngb s LYS 13 Ca 0.35 -1.21 -0.32 0.00 0.02 0.00 0.00 55.97 54.81 3ngb s LYS 13 Cb 0.09 -2.09 -0.09 0.00 -0.52 0.00 0.00 37.83 35.22 3ngb s LYS 13 CO 0.17 0.47 2.11 -2.30 -0.92 0.00 0.00 175.35 174.88 3ngb n PRO 14 N 0.73 1.75 0.00 -1.68 -0.02 -1.26 -1.40 135.00 133.12 3ngb n PRO 14 Ca -0.15 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 3ngb n PRO 14 Cb 0.53 -2.80 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 3ngb n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ngb n GLY 15 N 5.61 2.24 3.68 -1.23 0.00 -0.44 -4.90 105.19 110.15 3ngb n GLY 15 Ca 0.31 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 45.26 3ngb n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ngb s GLU 16 N 0.00 1.02 0.19 1.61 2.02 -0.49 -3.56 118.70 119.49 3ngb s GLU 16 Ca 0.00 1.07 0.09 0.00 0.02 0.00 0.00 54.97 56.15 3ngb s GLU 16 Cb 0.00 -1.76 -0.04 0.00 0.10 0.00 0.00 34.13 32.43 3ngb s GLU 16 CO 0.00 -2.48 -0.10 -1.54 0.02 0.00 0.00 175.26 171.16 3ngb s SER 17 N -3.08 4.21 0.22 -0.19 1.04 -1.26 -1.60 113.70 113.04 3ngb s SER 17 Ca 0.65 -0.61 0.11 0.00 0.48 0.00 0.00 55.95 56.57 3ngb s SER 17 Cb -0.20 -0.69 -0.04 0.00 0.10 0.00 0.00 66.02 65.18 3ngb s SER 17 CO 0.58 0.09 -0.17 0.00 0.98 0.00 0.00 173.24 174.73 3ngb s MET 18 N -2.91 1.77 -0.16 4.02 0.23 -0.76 -4.98 119.30 116.51 3ngb s MET 18 Ca 0.25 -1.50 -0.04 0.00 -1.03 0.00 0.00 55.69 53.37 3ngb s MET 18 Cb -0.08 -1.94 0.08 0.00 -1.53 0.00 0.00 34.83 31.35 3ngb s MET 18 CO 0.15 0.39 0.20 0.50 -2.03 0.00 0.00 175.02 174.23 3ngb s ARG 19 N -2.99 0.14 0.13 3.16 3.52 -1.26 -2.41 118.95 119.24 3ngb s ARG 19 Ca 0.25 0.34 0.10 0.00 -0.13 0.00 0.00 55.73 56.29 3ngb s ARG 19 Cb -0.07 -0.88 -0.04 0.00 -1.56 0.00 0.00 34.95 32.40 3ngb s ARG 19 CO 0.13 -0.52 -0.24 0.96 -0.81 0.00 0.00 175.30 174.82 3ngb s ILE 20 N 2.32 2.08 0.32 4.11 -4.36 -0.52 -4.97 121.20 120.17 3ngb s ILE 20 Ca 0.05 -1.75 0.10 0.00 -0.26 0.00 0.00 60.65 58.78 3ngb s ILE 20 Cb -0.14 -1.88 -0.05 0.00 1.25 0.00 0.00 42.46 41.64 3ngb s ILE 20 CO -0.10 -0.02 -0.02 -0.94 0.24 0.00 0.00 174.94 174.11 3ngb s SER 21 N -2.15 4.18 -0.28 4.36 1.04 -1.26 -1.11 113.70 118.47 3ngb s SER 21 Ca 0.13 -0.92 -0.00 0.00 0.48 0.00 0.00 55.95 55.64 3ngb s SER 21 Cb -0.09 -0.57 0.14 0.00 0.10 0.00 0.00 66.02 65.60 3ngb s SER 21 CO 0.06 -0.15 0.33 0.00 0.98 0.00 0.00 173.24 174.46 3ngb s ARG 23 N 2.43 4.16 0.24 0.00 3.52 -0.19 -0.69 118.95 128.42 3ngb s ARG 23 Ca 0.10 0.72 0.09 0.00 -0.13 0.00 0.00 55.73 56.51 3ngb s ARG 23 Cb -0.14 -3.02 -0.04 0.00 -1.56 0.00 0.00 34.95 30.19 3ngb s ARG 23 CO -0.29 0.50 -0.04 0.00 -0.81 0.00 0.00 175.30 174.66 3ngb s ALA 24 N -1.37 3.09 -0.28 6.12 0.00 0.42 -0.38 121.76 129.36 3ngb s ALA 24 Ca 0.37 -1.62 -0.22 0.00 0.00 0.00 0.00 51.96 50.49 3ngb s ALA 24 Cb -0.17 -0.74 0.09 0.00 0.00 0.00 0.00 23.12 22.30 3ngb s ALA 24 CO 0.20 0.32 0.82 -1.54 0.00 0.00 0.00 175.76 175.57 3ngb s SER 25 N -3.44 -0.69 0.00 0.00 1.04 -0.72 -4.86 113.70 105.03 3ngb s SER 25 Ca 0.30 1.24 0.00 0.00 0.48 0.00 0.00 55.95 57.97 3ngb s SER 25 Cb -0.07 1.27 0.00 0.00 0.10 0.00 0.00 66.02 67.32 3ngb s SER 25 CO 0.18 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.81 3ngb n GLY 26 N 3.04 1.12 3.69 7.32 0.00 -1.26 -0.87 105.19 118.22 3ngb n GLY 26 Ca -0.15 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.82 3ngb n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ngb s TYR 27 N -2.00 -0.18 -0.49 1.61 1.13 -1.26 -4.49 117.35 111.66 3ngb s TYR 27 Ca 0.00 -0.08 -0.28 0.00 -1.41 0.00 0.00 57.07 55.31 3ngb s TYR 27 Cb 0.00 0.61 -0.01 0.00 -1.10 0.00 0.00 41.96 41.46 3ngb s TYR 27 CO 0.00 -0.75 1.68 -1.21 -2.51 0.00 0.00 175.55 172.76 3ngb s GLU 28 N -3.23 3.12 0.39 -3.49 0.41 -1.26 -4.87 118.70 109.78 3ngb s GLU 28 Ca 0.10 0.86 0.15 0.00 -0.41 0.00 0.00 54.97 55.67 3ngb s GLU 28 Cb -0.01 -4.22 1.01 0.00 -1.78 0.00 0.00 34.13 29.13 3ngb s GLU 28 CO -0.01 -2.13 1.83 0.35 -0.49 0.00 0.00 175.26 174.82 3ngb h PHE 29 N 12.83 0.67 0.00 1.61 3.57 -1.94 -0.74 116.94 132.94 3ngb h PHE 29 Ca -0.29 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.23 3ngb h PHE 29 Cb 1.14 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.68 3ngb h PHE 29 CO 1.01 0.16 0.00 -0.84 -2.23 0.00 0.00 178.31 176.41 3ngb h ILE 30 N 0.49 0.00 0.00 1.41 3.07 -1.91 -3.29 117.51 117.27 3ngb h ILE 30 Ca 0.50 -0.45 -0.21 0.00 1.55 0.00 0.00 64.86 66.25 3ngb h ILE 30 Cb 1.14 1.35 -0.03 0.00 -0.27 0.00 0.00 36.82 39.01 3ngb h ILE 30 CO -0.23 0.00 -1.30 0.44 -1.05 0.00 0.00 178.15 176.02 3ngb h ASP 31 N 0.00 0.00 -3.79 2.16 3.32 -1.53 -3.34 116.42 113.23 3ngb h ASP 31 Ca 0.00 0.00 -0.68 0.00 0.02 0.00 0.00 57.03 56.37 3ngb h ASP 31 Cb 0.61 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 39.87 3ngb h ASP 31 CO 0.00 0.81 -0.82 0.00 -1.72 0.00 0.00 179.24 177.51 3ngb s THR 33 N -0.13 3.57 0.14 0.00 -4.23 -1.26 -4.64 115.64 109.09 3ngb s THR 33 Ca -0.03 1.01 0.09 0.00 -1.18 0.00 0.00 61.69 61.58 3ngb s THR 33 Cb -0.14 -3.43 -0.04 0.00 1.34 0.00 0.00 72.50 70.23 3ngb s THR 33 CO 0.04 -0.18 -0.14 -0.76 -0.54 0.00 0.00 174.62 173.04 3ngb s LEU 34 N -3.46 2.84 0.40 4.79 1.02 -0.20 -4.55 118.68 119.52 3ngb s LEU 34 Ca 0.68 -0.56 0.06 0.00 0.02 0.00 0.00 54.13 54.33 3ngb s LEU 34 Cb -0.20 -1.61 -0.07 0.00 0.02 0.00 0.00 46.19 44.33 3ngb s LEU 34 CO 0.23 0.15 0.02 0.20 0.02 0.00 0.00 176.35 176.97 3ngb s ASN 35 N -2.45 3.59 -0.11 2.29 0.01 -0.59 -0.19 114.94 117.49 3ngb s ASN 35 Ca 0.21 -1.40 -0.01 0.00 -0.71 0.00 0.00 52.86 50.95 3ngb s ASN 35 Cb -0.10 -0.26 0.04 0.00 0.41 0.00 0.00 41.25 41.34 3ngb s ASN 35 CO 0.13 -0.52 -0.01 0.26 -1.51 0.00 0.00 177.10 175.45 3ngb s TRP 36 N -2.84 1.01 -0.07 2.20 0.52 -0.87 -2.25 118.94 116.63 3ngb s TRP 36 Ca 0.33 -0.52 0.05 0.00 0.02 0.00 0.00 56.10 55.98 3ngb s TRP 36 Cb 0.09 -0.99 -0.01 0.00 -1.15 0.00 0.00 33.47 31.41 3ngb s TRP 36 CO 0.16 -0.45 -0.24 0.42 0.02 0.00 0.00 176.95 176.86 3ngb s ILE 37 N 1.86 2.14 -0.15 2.03 -1.09 -0.44 0.13 121.20 125.69 3ngb s ILE 37 Ca 0.03 -1.02 -0.03 0.00 -2.23 0.00 0.00 60.65 57.41 3ngb s ILE 37 Cb -0.14 -1.79 -0.02 0.00 -1.58 0.00 0.00 42.46 38.93 3ngb s ILE 37 CO -0.07 0.57 -0.07 0.00 -1.23 0.00 0.00 174.94 174.14 3ngb s ARG 38 N -0.01 3.57 -0.25 2.79 1.70 -0.05 -0.30 118.95 126.39 3ngb s ARG 38 Ca -0.08 -0.58 -0.03 0.00 -0.47 0.00 0.00 55.73 54.57 3ngb s ARG 38 Cb -0.15 -2.83 0.02 0.00 -0.57 0.00 0.00 34.95 31.42 3ngb s ARG 38 CO 0.05 0.21 -0.03 -0.51 -1.08 0.00 0.00 175.30 173.94 3ngb s LEU 39 N 0.41 3.28 -0.03 -1.89 1.43 -0.25 -1.53 118.68 120.10 3ngb s LEU 39 Ca -0.06 -0.77 0.06 0.00 -1.03 0.00 0.00 54.13 52.33 3ngb s LEU 39 Cb -0.15 -1.72 -0.02 0.00 0.03 0.00 0.00 46.19 44.33 3ngb s LEU 39 CO 0.04 -0.13 -0.22 0.00 0.23 0.00 0.00 176.35 176.28 3ngb s ALA 40 N 1.38 2.35 -0.11 4.21 0.00 -1.26 -1.56 121.76 126.76 3ngb s ALA 40 Ca 0.01 -1.07 -0.31 0.00 0.00 0.00 0.00 51.96 50.60 3ngb s ALA 40 Cb -0.16 -0.71 -0.09 0.00 0.00 0.00 0.00 23.12 22.16 3ngb s ALA 40 CO -0.03 0.54 2.05 -2.30 0.00 0.00 0.00 175.76 176.02 3ngb n PRO 41 N 2.39 2.23 -1.40 0.00 -0.02 -1.26 -1.79 135.00 135.15 3ngb n PRO 41 Ca -0.16 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3ngb n PRO 41 Cb 0.51 -2.92 0.00 0.00 -0.02 0.00 0.00 33.50 31.07 3ngb n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ngb n GLY 42 N 5.07 0.86 3.15 -1.23 0.00 -1.26 -5.08 105.19 106.70 3ngb n GLY 42 Ca 0.26 -0.62 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 3ngb n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ngb s LYS 43 N -3.10 0.50 0.23 1.61 1.02 -0.74 -5.13 119.74 114.13 3ngb s LYS 43 Ca 0.00 -0.20 -0.32 0.00 0.02 0.00 0.00 55.97 55.47 3ngb s LYS 43 Cb 0.00 0.22 -0.12 0.00 -0.52 0.00 0.00 37.83 37.40 3ngb s LYS 43 CO 0.00 -0.12 1.66 0.54 -0.92 0.00 0.00 175.35 176.51 3ngb n ARG 44 N 1.69 2.66 -1.68 1.68 1.74 -1.26 -4.56 116.66 116.93 3ngb n ARG 44 Ca -0.20 0.95 -0.54 0.00 -0.77 0.00 0.00 57.85 57.29 3ngb n ARG 44 Cb 0.56 -2.77 -0.06 0.00 -1.02 0.00 0.00 32.46 29.17 3ngb n ARG 44 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3ngb n PRO 45 N 3.34 1.46 -3.77 5.56 -0.02 -1.26 -4.81 135.00 135.50 3ngb n PRO 45 Ca 0.14 0.53 -0.36 0.00 -2.02 0.00 0.00 63.50 61.79 3ngb n PRO 45 Cb 0.34 -2.26 -0.12 0.00 -0.02 0.00 0.00 33.50 31.45 3ngb n PRO 45 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3ngb s GLU 46 N 3.00 3.78 -0.20 -0.52 2.12 -0.58 -4.95 118.70 121.35 3ngb s GLU 46 Ca 0.93 -0.42 -0.29 0.00 0.36 0.00 0.00 54.97 55.56 3ngb s GLU 46 Cb -0.94 -3.38 0.00 0.00 0.26 0.00 0.00 34.13 30.07 3ngb s GLU 46 CO 0.57 -0.10 1.10 -0.46 -0.54 0.00 0.00 175.26 175.83 3ngb s TRP 47 N 1.42 3.23 -0.05 5.30 -0.00 -1.26 -0.87 118.94 126.71 3ngb s TRP 47 Ca 0.06 1.36 0.13 0.00 -0.00 0.00 0.00 56.10 57.65 3ngb s TRP 47 Cb -0.15 -3.32 -0.22 0.00 -0.00 0.00 0.00 33.47 29.78 3ngb s TRP 47 CO 0.05 -0.78 0.69 -1.33 -0.00 0.00 0.00 176.95 175.58 3ngb n MET 48 N 6.21 0.63 0.00 5.86 2.81 0.12 -4.71 117.12 128.04 3ngb n MET 48 Ca 0.12 0.29 0.00 0.00 -1.81 0.00 0.00 57.70 56.30 3ngb n MET 48 Cb 0.46 -1.80 0.00 0.00 -0.71 0.00 0.00 33.22 31.17 3ngb n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ngb n GLY 49 N 1.53 3.53 3.69 3.03 0.00 -1.25 -1.69 105.19 114.03 3ngb n GLY 49 Ca -0.16 -1.17 -0.24 0.00 0.00 0.00 0.00 46.02 44.45 3ngb n GLY 49 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3ngb s TRP 50 N -2.00 2.83 -0.03 1.61 1.48 -0.96 -2.05 118.94 119.82 3ngb s TRP 50 Ca 0.00 -0.17 0.02 0.00 -1.06 0.00 0.00 56.10 54.88 3ngb s TRP 50 Cb 0.00 -1.29 0.01 0.00 -1.16 0.00 0.00 33.47 31.03 3ngb s TRP 50 CO 0.00 0.57 -0.06 -1.17 -4.06 0.00 0.00 176.95 172.23 3ngb s LEU 51 N -3.54 1.65 -0.40 -4.66 0.20 0.73 -1.53 118.68 111.12 3ngb s LEU 51 Ca 0.31 -0.14 -0.09 0.00 0.69 0.00 0.00 54.13 54.90 3ngb s LEU 51 Cb -0.07 -0.43 0.06 0.00 -0.43 0.00 0.00 46.19 45.32 3ngb s LEU 51 CO 0.21 0.01 0.23 -0.54 -0.29 0.00 0.00 176.35 175.97 3ngb s LYS 52 N 0.42 2.64 0.64 1.98 1.02 0.33 -1.03 119.74 125.74 3ngb s LYS 52 Ca -0.06 -1.36 0.23 0.00 0.02 0.00 0.00 55.97 54.81 3ngb s LYS 52 Cb -0.10 -3.73 1.18 0.00 -0.52 0.00 0.00 37.83 34.66 3ngb s LYS 52 CO 0.00 -0.87 1.65 -1.35 -0.92 0.00 0.00 175.35 173.86 3ngb h PRO 52 N 8.39 0.00 -5.70 -1.68 0.11 -1.82 -1.33 132.00 129.97 3ngb h PRO 52 Ca -0.23 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 65.50 3ngb h PRO 52 Cb 1.09 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.14 3ngb h PRO 52 CO 0.72 0.00 1.05 0.50 -0.21 0.00 0.00 178.00 180.06 3ngb s ARG 53 N -4.25 2.77 0.00 1.05 6.06 -1.26 -3.55 118.95 119.78 3ngb s ARG 53 Ca -0.03 -0.81 0.00 0.00 -2.50 0.00 0.00 55.73 52.40 3ngb s ARG 53 Cb 0.09 -5.19 0.00 0.00 0.06 0.00 0.00 34.95 29.91 3ngb s ARG 53 CO 0.31 -3.34 0.00 0.41 -2.50 0.00 0.00 175.30 170.18 3ngb n GLY 54 N 6.41 2.50 1.37 8.12 0.00 -1.25 -4.12 105.19 118.22 3ngb n GLY 54 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.43 3ngb n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ngb n GLY 55 N -2.00 0.68 3.63 -0.02 0.00 -0.51 -5.02 105.19 101.94 3ngb n GLY 55 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3ngb n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ngb n ALA 56 N 0.00 0.33 -2.68 4.61 0.00 -1.15 -4.66 120.51 116.96 3ngb n ALA 56 Ca 0.00 0.35 -0.09 0.00 0.00 0.00 0.00 53.44 53.70 3ngb n ALA 56 Cb 0.00 -2.10 -0.10 0.00 0.00 0.00 0.00 19.45 17.25 3ngb n ALA 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ngb s VAL 57 N -1.11 0.14 -0.25 0.00 0.11 -1.26 -0.51 120.40 117.51 3ngb s VAL 57 Ca 0.58 -1.15 -0.03 0.00 -2.93 0.00 0.00 61.98 58.44 3ngb s VAL 57 Cb -0.63 -0.90 0.09 0.00 -1.53 0.00 0.00 36.38 33.40 3ngb s VAL 57 CO 0.60 -0.64 0.10 0.21 -3.33 0.00 0.00 175.10 172.05 3ngb s ASN 58 N -2.15 3.29 0.30 3.54 2.47 -0.58 -5.01 114.94 116.80 3ngb s ASN 58 Ca -0.05 -1.15 -0.12 0.00 0.42 0.00 0.00 52.86 51.97 3ngb s ASN 58 Cb -0.01 -0.47 -0.08 0.00 -1.45 0.00 0.00 41.25 39.24 3ngb s ASN 58 CO -0.05 -0.39 0.67 -0.31 -3.72 0.00 0.00 177.10 173.30 3ngb s TYR 59 N 1.97 3.41 0.51 0.43 2.02 -1.26 -2.25 117.35 122.17 3ngb s TYR 59 Ca 0.06 1.05 -0.19 0.00 -0.37 0.00 0.00 57.07 57.62 3ngb s TYR 59 Cb -0.16 -2.41 -0.08 0.00 -0.40 0.00 0.00 41.96 38.91 3ngb s TYR 59 CO -0.24 0.12 1.03 0.00 -1.57 0.00 0.00 175.55 174.89 3ngb s ALA 60 N -2.00 2.87 0.14 3.71 0.00 -0.68 -4.88 121.76 120.92 3ngb s ALA 60 Ca 0.51 0.51 -0.25 0.00 0.00 0.00 0.00 51.96 52.73 3ngb s ALA 60 Cb -0.11 -3.23 -0.01 0.00 0.00 0.00 0.00 23.12 19.78 3ngb s ALA 60 CO 0.21 -0.38 1.61 0.00 0.00 0.00 0.00 175.76 177.21 3ngb h ARG 61 N 1.29 -0.35 0.00 0.00 2.47 -1.94 -1.91 114.38 113.94 3ngb h ARG 61 Ca -0.49 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.26 3ngb h ARG 61 Cb 1.21 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.61 3ngb h ARG 61 CO 0.59 -0.23 0.00 -2.30 0.56 0.00 0.00 179.97 178.59 3ngb n PRO 62 N -5.40 0.04 0.00 0.04 -0.02 -1.26 -2.32 135.00 126.07 3ngb n PRO 62 Ca -0.02 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 3ngb n PRO 62 Cb 0.32 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 3ngb n PRO 62 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3ngb n LEU 63 N -1.26 0.00 -4.67 2.45 4.77 -0.78 -5.01 117.00 112.51 3ngb n LEU 63 Ca 0.01 -0.28 -0.46 0.00 -0.03 0.00 0.00 56.01 55.25 3ngb n LEU 63 Cb 0.02 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.07 3ngb n LEU 63 CO 0.02 0.00 1.17 0.00 -1.33 0.00 0.00 177.39 177.24 3ngb n GLN 64 N -1.01 2.09 0.00 3.23 6.02 -0.83 -1.11 117.38 125.77 3ngb n GLN 64 Ca 0.00 0.75 0.00 0.00 -0.01 0.00 0.00 57.00 57.74 3ngb n GLN 64 Cb 0.00 -2.51 0.00 0.00 1.02 0.00 0.00 30.24 28.75 3ngb n GLN 64 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ngb n GLY 65 N 3.30 3.26 0.07 1.08 0.00 -1.26 -4.79 105.19 106.86 3ngb n GLY 65 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.10 3ngb n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ngb n ARG 66 N -1.07 1.39 -3.71 1.61 1.74 -0.27 -4.95 116.66 111.40 3ngb n ARG 66 Ca 0.00 0.02 -0.34 0.00 -0.77 0.00 0.00 57.85 56.76 3ngb n ARG 66 Cb 0.00 -1.36 -0.05 0.00 -1.02 0.00 0.00 32.46 30.03 3ngb n ARG 66 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3ngb s VAL 67 N -2.35 5.23 -0.09 1.55 0.11 -0.67 -1.48 120.40 122.71 3ngb s VAL 67 Ca -0.11 0.20 -0.04 0.00 -2.93 0.00 0.00 61.98 59.10 3ngb s VAL 67 Cb 0.05 -3.60 0.05 0.00 -1.53 0.00 0.00 36.38 31.35 3ngb s VAL 67 CO 0.54 0.30 0.18 -0.89 -3.33 0.00 0.00 175.10 171.90 3ngb s THR 68 N -1.38 -0.20 -0.14 5.04 2.01 -0.24 -4.91 115.64 115.82 3ngb s THR 68 Ca 0.31 0.27 0.02 0.00 0.31 0.00 0.00 61.69 62.60 3ngb s THR 68 Cb -0.13 -0.32 0.00 0.00 0.01 0.00 0.00 72.50 72.07 3ngb s THR 68 CO 0.18 0.11 -0.20 -0.04 -0.69 0.00 0.00 174.62 173.98 3ngb s MET 69 N 1.88 3.09 0.37 4.92 -1.94 -1.26 -1.48 119.30 124.89 3ngb s MET 69 Ca -0.02 -0.82 0.06 0.00 -1.71 0.00 0.00 55.69 53.20 3ngb s MET 69 Cb -0.12 -2.48 -0.03 0.00 2.01 0.00 0.00 34.83 34.22 3ngb s MET 69 CO -0.07 0.03 0.23 0.95 -0.01 0.00 0.00 175.02 176.15 3ngb s THR 70 N 0.74 0.20 0.00 2.05 -4.23 -1.03 -4.96 115.64 108.41 3ngb s THR 70 Ca -0.08 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.14 3ngb s THR 70 Cb -0.16 -2.42 0.07 0.00 1.34 0.00 0.00 72.50 71.33 3ngb s THR 70 CO 0.00 0.00 0.66 0.00 -0.54 0.00 0.00 174.62 174.74 3ngb s ARG 71 N -3.53 1.11 -0.45 3.99 3.03 -1.26 -0.42 118.95 121.43 3ngb s ARG 71 Ca 0.34 0.07 -0.06 0.00 2.03 0.00 0.00 55.73 58.11 3ngb s ARG 71 Cb 0.02 0.52 0.12 0.00 -1.03 0.00 0.00 34.95 34.58 3ngb s ARG 71 CO 0.23 -0.39 0.28 0.34 -1.13 0.00 0.00 175.30 174.63 3ngb s ASP 72 N -1.59 5.46 0.10 -2.89 3.68 0.74 -5.00 116.67 117.17 3ngb s ASP 72 Ca -0.08 -2.02 -0.24 0.00 2.13 0.00 0.00 52.55 52.34 3ngb s ASP 72 Cb -0.00 -1.91 -0.12 0.00 -1.45 0.00 0.00 42.92 39.44 3ngb s ASP 72 CO 0.04 -0.60 1.70 0.58 0.13 0.00 0.00 175.17 177.02 3ngb h VAL 73 N 6.21 0.77 0.00 1.11 2.07 -1.94 -1.28 116.25 123.20 3ngb h VAL 73 Ca -0.16 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 3ngb h VAL 73 Cb 1.05 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 31.60 3ngb h VAL 73 CO 0.77 0.00 -0.01 0.22 0.02 0.00 0.00 177.57 178.57 3ngb h TYR 74 N -0.21 0.00 -0.19 1.57 5.03 -1.97 0.21 116.97 121.42 3ngb h TYR 74 Ca 0.01 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.32 3ngb h TYR 74 Cb 0.21 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.49 3ngb h TYR 74 CO -0.13 0.01 0.00 0.45 -1.32 0.00 0.00 178.16 177.17 3ngb n SER 75 N -4.07 2.57 -3.16 -2.11 2.88 -0.77 -4.95 113.62 104.02 3ngb n SER 75 Ca -0.03 -1.85 -0.21 0.00 -1.33 0.00 0.00 58.87 55.45 3ngb n SER 75 Cb 0.09 -0.11 0.00 0.00 -0.75 0.00 0.00 64.21 63.44 3ngb n SER 75 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3ngb n ASP 76 N 0.95 -4.26 -4.17 -3.46 8.00 0.06 -4.79 116.55 108.88 3ngb n ASP 76 Ca 0.17 -0.28 -0.30 0.00 0.71 0.00 0.00 54.79 55.09 3ngb n ASP 76 Cb 0.49 -3.52 -0.17 0.00 -0.02 0.00 0.00 41.12 37.91 3ngb n ASP 76 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3ngb s THR 77 N -2.94 1.79 0.22 -3.53 2.01 -1.00 -0.44 115.64 111.76 3ngb s THR 77 Ca 0.32 -0.87 0.05 0.00 0.31 0.00 0.00 61.69 61.51 3ngb s THR 77 Cb -0.16 -1.56 -0.03 0.00 0.01 0.00 0.00 72.50 70.75 3ngb s THR 77 CO 0.40 0.50 0.24 0.00 -0.69 0.00 0.00 174.62 175.07 3ngb s ALA 78 N 0.39 3.72 0.06 7.40 0.00 0.13 -0.19 121.76 133.27 3ngb s ALA 78 Ca -0.17 -1.28 0.04 0.00 0.00 0.00 0.00 51.96 50.56 3ngb s ALA 78 Cb -0.17 -1.49 -0.03 0.00 0.00 0.00 0.00 23.12 21.44 3ngb s ALA 78 CO 0.07 0.34 -0.11 -0.06 0.00 0.00 0.00 175.76 176.00 3ngb s PHE 79 N -1.96 0.97 -0.05 0.00 0.40 0.44 -0.78 117.98 117.00 3ngb s PHE 79 Ca 0.33 -0.46 0.02 0.00 -0.60 0.00 0.00 56.93 56.22 3ngb s PHE 79 Cb -0.09 -0.56 0.02 0.00 0.51 0.00 0.00 43.02 42.90 3ngb s PHE 79 CO 0.26 -0.00 -0.08 -1.17 0.70 0.00 0.00 175.22 174.93 3ngb s LEU 80 N -1.60 1.52 -0.08 -0.37 2.96 -0.27 -2.47 118.68 118.38 3ngb s LEU 80 Ca -0.05 -0.20 0.01 0.00 -0.22 0.00 0.00 54.13 53.68 3ngb s LEU 80 Cb -0.10 -0.59 0.02 0.00 0.50 0.00 0.00 46.19 46.02 3ngb s LEU 80 CO 0.01 -0.00 -0.09 -0.70 -1.32 0.00 0.00 176.35 174.25 3ngb s GLU 81 N 0.70 1.48 -0.19 1.98 2.12 -0.55 -1.44 118.70 122.81 3ngb s GLU 81 Ca -0.12 -0.30 0.01 0.00 0.36 0.00 0.00 54.97 54.93 3ngb s GLU 81 Cb -0.14 -1.36 0.03 0.00 0.26 0.00 0.00 34.13 32.92 3ngb s GLU 81 CO 0.02 -0.09 -0.18 -1.17 -0.54 0.00 0.00 175.26 173.30 3ngb s LEU 82 N 1.05 2.35 0.37 2.70 2.96 -1.01 -1.07 118.68 126.03 3ngb s LEU 82 Ca -0.08 -0.79 0.01 0.00 -0.22 0.00 0.00 54.13 53.06 3ngb s LEU 82 Cb -0.14 -1.46 -0.02 0.00 0.50 0.00 0.00 46.19 45.06 3ngb s LEU 82 CO -0.01 -0.05 0.57 0.00 -1.32 0.00 0.00 176.35 175.55 3ngb s ARG 82 N 1.27 3.34 -0.50 1.98 1.70 -0.55 -1.82 118.95 124.37 3ngb s ARG 82 Ca 0.02 -0.44 -0.34 0.00 -0.47 0.00 0.00 55.73 54.50 3ngb s ARG 82 Cb -0.14 -2.65 0.05 0.00 -0.57 0.00 0.00 34.95 31.64 3ngb s ARG 82 CO -0.11 0.03 0.66 -1.13 -1.08 0.00 0.00 175.30 173.67 3ngb n SER 82 N -1.85 -5.36 -4.82 -2.89 3.41 -1.23 -4.91 113.62 95.97 3ngb n SER 82 Ca -0.03 -0.29 -0.33 0.00 -0.26 0.00 0.00 58.87 57.97 3ngb n SER 82 Cb 0.57 -1.59 -0.01 0.00 -0.26 0.00 0.00 64.21 62.92 3ngb n SER 82 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3ngb s LEU 82 N -2.81 3.58 0.34 1.04 1.43 -0.63 -4.73 118.68 116.89 3ngb s LEU 82 Ca 0.33 1.74 0.04 0.00 -1.03 0.00 0.00 54.13 55.21 3ngb s LEU 82 Cb -0.03 -4.53 -0.06 0.00 0.03 0.00 0.00 46.19 41.60 3ngb s LEU 82 CO 0.88 -0.92 0.05 0.28 0.23 0.00 0.00 176.35 176.87 3ngb s THR 83 N -2.47 1.27 0.35 5.49 -1.32 -1.26 -1.32 115.64 116.38 3ngb s THR 83 Ca 0.62 -2.00 0.39 0.00 -1.21 0.00 0.00 61.69 59.49 3ngb s THR 83 Cb -0.14 -2.80 0.41 0.00 -1.51 0.00 0.00 72.50 68.47 3ngb s THR 83 CO 0.33 0.00 2.16 1.62 -2.21 0.00 0.00 174.62 176.52 3ngb h VAL 84 N 2.05 0.00 0.00 5.08 3.04 -1.97 -1.83 116.25 122.63 3ngb h VAL 84 Ca -0.41 -0.26 0.00 0.00 -1.01 0.00 0.00 66.70 65.02 3ngb h VAL 84 Cb 1.25 1.25 0.00 0.00 -2.01 0.00 0.00 31.29 31.77 3ngb h VAL 84 CO 0.71 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.74 3ngb n ASP 85 N -3.06 0.58 -0.05 3.17 8.00 -1.26 -2.88 116.55 121.06 3ngb n ASP 85 Ca -0.01 0.57 0.15 0.00 0.71 0.00 0.00 54.79 56.21 3ngb n ASP 85 Cb 0.19 -0.72 0.72 0.00 -0.02 0.00 0.00 41.12 41.29 3ngb n ASP 85 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3ngb n ASP 86 N -2.07 0.21 -4.63 -2.24 8.00 -0.69 -4.82 116.55 110.32 3ngb n ASP 86 Ca 0.05 -0.44 -0.43 0.00 0.71 0.00 0.00 54.79 54.68 3ngb n ASP 86 Cb 0.36 -0.16 -0.03 0.00 -0.02 0.00 0.00 41.12 41.28 3ngb n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3ngb s THR 87 N -2.45 3.08 0.00 -3.53 2.01 -1.14 -4.88 115.64 108.72 3ngb s THR 87 Ca 0.31 0.09 -0.30 0.00 0.31 0.00 0.00 61.69 62.10 3ngb s THR 87 Cb 0.20 -3.08 0.11 0.00 0.01 0.00 0.00 72.50 69.75 3ngb s THR 87 CO 0.45 -0.03 1.26 0.00 -0.69 0.00 0.00 174.62 175.61 3ngb s ALA 88 N 6.37 -2.19 -0.23 7.40 0.00 -0.68 -4.73 121.76 127.69 3ngb s ALA 88 Ca 0.93 0.61 -0.15 0.00 0.00 0.00 0.00 51.96 53.35 3ngb s ALA 88 Cb -0.36 0.41 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 3ngb s ALA 88 CO 0.37 -1.06 0.35 0.08 0.00 0.00 0.00 175.76 175.50 3ngb s VAL 89 N -2.47 5.22 -0.16 0.00 1.01 -0.60 -0.96 120.40 122.43 3ngb s VAL 89 Ca 0.15 0.56 -0.12 0.00 0.00 0.00 0.00 61.98 62.57 3ngb s VAL 89 Cb 0.04 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 3ngb s VAL 89 CO -0.03 0.23 0.22 -0.31 0.00 0.00 0.00 175.10 175.22 3ngb s TYR 90 N 1.54 3.48 0.22 5.22 1.51 -1.01 -1.09 117.35 127.23 3ngb s TYR 90 Ca 0.15 0.52 0.12 0.00 -1.01 0.00 0.00 57.07 56.85 3ngb s TYR 90 Cb -0.15 -2.22 -0.05 0.00 -0.11 0.00 0.00 41.96 39.43 3ngb s TYR 90 CO 0.08 0.35 -0.23 -0.06 -1.11 0.00 0.00 175.55 174.58 3ngb s PHE 91 N 0.14 2.29 -0.14 2.71 0.08 0.59 -1.19 117.98 122.46 3ngb s PHE 91 Ca 0.14 -0.35 0.01 0.00 0.12 0.00 0.00 56.93 56.85 3ngb s PHE 91 Cb -0.12 -1.09 0.00 0.00 -0.57 0.00 0.00 43.02 41.24 3ngb s PHE 91 CO 0.02 0.57 -0.18 0.00 -0.10 0.00 0.00 175.22 175.54 3ngb s THR 93 N 0.72 2.45 0.00 0.00 -4.23 -0.96 -2.80 115.64 110.82 3ngb s THR 93 Ca -0.08 -2.05 -0.05 0.00 -1.18 0.00 0.00 61.69 58.33 3ngb s THR 93 Cb -0.16 -2.76 -0.00 0.00 1.34 0.00 0.00 72.50 70.92 3ngb s THR 93 CO 0.01 -0.19 0.09 -0.60 -0.54 0.00 0.00 174.62 173.40 3ngb s ARG 94 N -3.68 0.39 0.80 3.99 3.52 -0.65 -1.54 118.95 121.78 3ngb s ARG 94 Ca 0.34 -0.37 -0.11 0.00 -0.13 0.00 0.00 55.73 55.46 3ngb s ARG 94 Cb 0.01 0.16 0.07 0.00 -1.56 0.00 0.00 34.95 33.64 3ngb s ARG 94 CO 0.18 -0.08 1.09 0.20 -0.81 0.00 0.00 175.30 175.88 3ngb s GLY 95 N -1.20 1.66 0.19 8.12 0.00 -1.25 -2.70 107.32 112.15 3ngb s GLY 95 Ca -0.13 0.17 -0.12 0.00 0.00 0.00 0.00 44.72 44.64 3ngb s GLY 95 CO 0.01 0.55 1.82 1.70 0.00 0.00 0.00 173.10 177.18 3ngb h LYS 96 N -1.23 0.64 -4.99 2.90 3.64 -0.98 -3.43 116.57 113.12 3ngb h LYS 96 Ca -0.45 -0.04 -0.32 0.00 -1.27 0.00 0.00 60.65 58.57 3ngb h LYS 96 Cb 1.24 -0.15 -0.18 0.00 -0.41 0.00 0.00 32.23 32.74 3ngb h LYS 96 CO 0.52 0.43 -0.73 0.54 -2.27 0.00 0.00 179.45 177.94 3ngb s ASN 97 N -5.61 1.50 0.64 4.20 2.20 -1.26 -5.01 114.94 111.60 3ngb s ASN 97 Ca -0.13 -0.83 0.35 0.00 -0.94 0.00 0.00 52.86 51.31 3ngb s ASN 97 Cb 0.14 0.00 1.92 0.00 -2.00 0.00 0.00 41.25 41.31 3ngb s ASN 97 CO 0.75 -0.26 2.13 0.00 -2.94 0.00 0.00 177.10 176.78 3ngb h ASP 99 N 0.00 -0.11 -3.40 0.00 3.45 -1.96 -3.44 116.42 110.97 3ngb h ASP 99 Ca 0.03 -0.44 -0.64 0.00 0.43 0.00 0.00 57.03 56.41 3ngb h ASP 99 Cb 0.38 0.03 -0.23 0.00 -0.56 0.00 0.00 39.33 38.96 3ngb h ASP 99 CO -0.00 0.42 -0.66 -0.47 -1.57 0.00 0.00 179.24 176.96 3ngb s TYR 100 N -3.89 3.04 -0.08 4.55 6.14 -1.08 -5.01 117.35 121.01 3ngb s TYR 100 Ca -0.15 -0.42 0.14 0.00 0.64 0.00 0.00 57.07 57.28 3ngb s TYR 100 Cb 0.01 -2.05 -0.11 0.00 0.42 0.00 0.00 41.96 40.22 3ngb s TYR 100 CO 0.59 -0.19 1.03 -0.97 0.64 0.00 0.00 175.55 176.65 3ngb h ASN 100 N 7.29 0.00 -0.37 4.32 -1.24 -1.84 -3.38 115.58 120.35 3ngb h ASN 100 Ca -0.35 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.66 3ngb h ASN 100 Cb 1.18 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.23 3ngb h ASN 100 CO 0.62 0.70 0.00 0.79 -1.29 0.00 0.00 177.43 178.24 3ngb n TRP 100 N -3.08 0.74 -3.36 0.67 7.02 -1.26 -3.82 117.44 114.36 3ngb n TRP 100 Ca -0.06 -0.31 -0.40 0.00 -1.02 0.00 0.00 57.50 55.70 3ngb n TRP 100 Cb 0.87 -0.11 -0.02 0.00 -2.42 0.00 0.00 31.31 29.62 3ngb n TRP 100 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 3ngb n ASP 100 N 0.55 5.20 -4.57 -0.99 8.00 -1.26 -5.00 116.55 118.47 3ngb n ASP 100 Ca 0.14 -3.19 -0.24 0.00 0.71 0.00 0.00 54.79 52.21 3ngb n ASP 100 Cb 0.49 -1.20 -0.07 0.00 -0.02 0.00 0.00 41.12 40.32 3ngb n ASP 100 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3ngb s PHE 100 N -1.77 1.72 -0.27 1.24 0.08 -1.26 -0.52 117.98 117.21 3ngb s PHE 100 Ca 0.31 0.95 0.20 0.00 0.12 0.00 0.00 56.93 58.50 3ngb s PHE 100 Cb -0.04 -3.85 0.10 0.00 -0.57 0.00 0.00 43.02 38.66 3ngb s PHE 100 CO -0.05 -1.31 1.28 1.49 -0.10 0.00 0.00 175.22 176.53 3ngb h GLU 101 N 10.75 0.00 -5.02 0.44 4.81 -1.77 -3.45 114.58 120.33 3ngb h GLU 101 Ca 0.13 0.00 -0.66 0.00 -0.13 0.00 0.00 59.36 58.70 3ngb h GLU 101 Cb 0.97 0.00 -0.29 0.00 0.63 0.00 0.00 28.75 30.06 3ngb h GLU 101 CO 1.17 0.16 -0.75 -1.01 -0.73 0.00 0.00 179.01 177.84 3ngb s HIS 102 N -3.15 2.92 0.25 0.92 3.76 -1.14 -5.03 115.29 113.82 3ngb s HIS 102 Ca 0.02 -1.05 0.10 0.00 -0.15 0.00 0.00 55.06 53.98 3ngb s HIS 102 Cb 0.07 -2.06 -0.05 0.00 1.11 0.00 0.00 32.58 31.66 3ngb s HIS 102 CO 0.75 -0.58 -0.18 -1.58 -0.85 0.00 0.00 174.74 172.30 3ngb s TRP 103 N 1.40 2.06 0.26 1.40 0.52 -1.26 -1.63 118.94 121.68 3ngb s TRP 103 Ca 0.05 -0.43 0.00 0.00 0.02 0.00 0.00 56.10 55.74 3ngb s TRP 103 Cb -0.14 -0.91 -0.04 0.00 -1.15 0.00 0.00 33.47 31.23 3ngb s TRP 103 CO -0.05 0.57 0.45 0.20 0.02 0.00 0.00 176.95 178.14 3ngb s GLY 104 N -3.43 1.56 0.53 0.98 0.00 -1.12 -4.58 107.32 101.26 3ngb s GLY 104 Ca 0.27 -0.90 0.33 0.00 0.00 0.00 0.00 44.72 44.42 3ngb s GLY 104 CO 0.12 -0.85 1.85 3.21 0.00 0.00 0.00 173.10 177.42 3ngb h ARG 105 N 1.44 0.02 0.00 2.90 3.08 -1.95 -3.45 114.38 116.43 3ngb h ARG 105 Ca -0.49 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.56 3ngb h ARG 105 Cb 1.21 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 3ngb h ARG 105 CO 0.65 0.01 0.00 0.41 -1.07 0.00 0.00 179.97 179.97 3ngb n GLY 106 N -1.72 2.28 3.00 0.04 0.00 -1.26 -5.00 105.19 102.53 3ngb n GLY 106 Ca 0.22 -1.73 -0.31 0.00 0.00 0.00 0.00 46.02 44.20 3ngb n GLY 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ngb s THR 107 N -1.94 2.18 0.33 2.61 -4.23 -0.34 -4.85 115.64 109.40 3ngb s THR 107 Ca 0.00 -2.23 -0.29 0.00 -1.18 0.00 0.00 61.69 57.98 3ngb s THR 107 Cb 0.00 -2.59 -0.11 0.00 1.34 0.00 0.00 72.50 71.14 3ngb s THR 107 CO 0.00 -0.56 1.57 -2.65 -0.54 0.00 0.00 174.62 172.43 3ngb n PRO 108 N 4.30 2.72 -3.80 3.99 -0.02 -1.26 -2.40 135.00 138.53 3ngb n PRO 108 Ca 0.02 0.96 -0.25 0.00 -2.02 0.00 0.00 63.50 62.21 3ngb n PRO 108 Cb 0.42 -2.73 -0.17 0.00 -0.02 0.00 0.00 33.50 31.00 3ngb n PRO 108 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3ngb s VAL 109 N -0.40 0.59 -0.28 -1.45 1.01 -0.13 -1.48 120.40 118.27 3ngb s VAL 109 Ca 0.60 -0.18 -0.05 0.00 0.00 0.00 0.00 61.98 62.36 3ngb s VAL 109 Cb -0.48 -0.81 0.02 0.00 0.00 0.00 0.00 36.38 35.10 3ngb s VAL 109 CO 0.54 0.16 0.02 -0.63 0.00 0.00 0.00 175.10 175.19 3ngb s ILE 110 N 1.87 3.51 -0.70 2.22 1.01 -0.93 -1.69 121.20 126.49 3ngb s ILE 110 Ca 0.03 -0.84 -0.17 0.00 0.00 0.00 0.00 60.65 59.67 3ngb s ILE 110 Cb -0.14 -2.80 0.14 0.00 0.01 0.00 0.00 42.46 39.67 3ngb s ILE 110 CO -0.07 0.13 0.76 -0.69 0.00 0.00 0.00 174.94 175.07 3ngb s VAL 111 N 1.42 5.04 0.02 2.92 1.01 -1.26 -1.30 120.40 128.25 3ngb s VAL 111 Ca 0.01 -1.50 -0.29 0.00 0.00 0.00 0.00 61.98 60.21 3ngb s VAL 111 Cb -0.17 -4.51 -0.04 0.00 0.00 0.00 0.00 36.38 31.66 3ngb s VAL 111 CO -0.00 -1.14 0.95 -0.94 0.00 0.00 0.00 175.10 173.97 3ngb s SER 112 N 3.28 7.36 -0.26 3.32 1.04 -1.07 -4.56 113.70 122.82 3ngb s SER 112 Ca 0.15 1.65 -0.09 0.00 0.48 0.00 0.00 55.95 58.14 3ngb s SER 112 Cb -0.19 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.34 3ngb s SER 112 CO -0.00 -0.19 0.13 -0.55 0.98 0.00 0.00 173.24 173.61 3ngb s SER 113 N 0.73 5.69 -0.16 7.02 0.15 -1.26 -4.20 113.70 121.67 3ngb s SER 113 Ca 0.49 -0.06 -0.04 0.00 0.70 0.00 0.00 55.95 57.05 3ngb s SER 113 Cb -0.21 -2.04 -0.13 0.00 -1.71 0.00 0.00 66.02 61.93 3ngb s SER 113 CO 0.27 -0.01 2.21 -2.65 1.20 0.00 0.00 173.24 174.26 3ngb n PRO 114 N 4.79 1.27 -4.37 5.44 -0.02 -1.26 -4.80 135.00 136.06 3ngb n PRO 114 Ca -0.15 -0.71 -0.20 0.00 -2.02 0.00 0.00 63.50 60.42 3ngb n PRO 114 Cb 0.52 -1.89 -0.16 0.00 -0.02 0.00 0.00 33.50 31.95 3ngb n PRO 114 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3ngb s SER 115 N 2.61 1.19 0.08 2.55 0.15 -1.26 -5.15 113.70 113.87 3ngb s SER 115 Ca 0.37 -0.18 0.04 0.00 0.70 0.00 0.00 55.95 56.88 3ngb s SER 115 Cb 0.16 -0.36 -0.03 0.00 -1.71 0.00 0.00 66.02 64.08 3ngb s SER 115 CO -0.01 0.05 -0.11 0.42 1.20 0.00 0.00 173.24 174.80 3ngb s THR 116 N 0.30 0.90 0.00 6.45 -4.23 -1.26 -4.51 115.64 113.28 3ngb s THR 116 Ca -0.05 -1.42 -0.06 0.00 -1.18 0.00 0.00 61.69 58.99 3ngb s THR 116 Cb -0.09 -1.10 -0.00 0.00 1.34 0.00 0.00 72.50 72.64 3ngb s THR 116 CO 0.01 -0.42 0.11 -0.75 -0.54 0.00 0.00 174.62 173.02 3ngb s LYS 117 N -2.21 0.43 -0.07 3.99 2.20 -0.63 -4.99 119.74 118.46 3ngb s LYS 117 Ca -0.00 -0.39 -0.18 0.00 -0.36 0.00 0.00 55.97 55.03 3ngb s LYS 117 Cb -0.07 0.18 -0.05 0.00 -1.51 0.00 0.00 37.83 36.39 3ngb s LYS 117 CO 0.01 -0.10 0.51 0.20 -0.36 0.00 0.00 175.35 175.60 3ngb s GLY 118 N -1.29 2.47 0.80 5.54 0.00 -1.26 -3.67 107.32 109.90 3ngb s GLY 118 Ca -0.14 -0.13 -0.12 0.00 0.00 0.00 0.00 44.72 44.33 3ngb s GLY 118 CO 0.01 0.70 1.15 -4.14 0.00 0.00 0.00 173.10 170.82 3ngb s PRO 119 N 0.21 1.84 -0.29 2.90 0.02 -1.25 -4.69 135.00 133.74 3ngb s PRO 119 Ca 0.27 1.50 0.02 0.00 0.02 0.00 0.00 61.00 62.81 3ngb s PRO 119 Cb -0.16 -1.82 0.08 0.00 0.02 0.00 0.00 34.50 32.62 3ngb s PRO 119 CO 0.13 -2.01 -0.01 -1.12 -0.33 0.00 0.00 177.00 173.66 3ngb s SER 120 N -2.66 4.37 -0.11 2.53 0.01 -0.63 -4.97 113.70 112.25 3ngb s SER 120 Ca 0.68 -1.68 -0.24 0.00 1.31 0.00 0.00 55.95 56.02 3ngb s SER 120 Cb -0.23 -1.40 -0.03 0.00 0.21 0.00 0.00 66.02 64.57 3ngb s SER 120 CO 0.52 -0.31 0.73 -0.69 0.41 0.00 0.00 173.24 173.90 3ngb s VAL 121 N 1.16 5.00 -0.04 3.43 1.01 -1.26 -2.57 120.40 127.13 3ngb s VAL 121 Ca 0.02 1.47 0.06 0.00 0.00 0.00 0.00 61.98 63.53 3ngb s VAL 121 Cb -0.19 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 32.12 3ngb s VAL 121 CO -0.09 0.17 -0.23 -0.36 0.00 0.00 0.00 175.10 174.60 3ngb s PHE 122 N 1.29 2.15 0.25 5.22 0.08 -1.25 -4.94 117.98 120.78 3ngb s PHE 122 Ca 0.37 -0.55 -0.30 0.00 0.12 0.00 0.00 56.93 56.57 3ngb s PHE 122 Cb -0.17 -1.41 -0.10 0.00 -0.57 0.00 0.00 43.02 40.77 3ngb s PHE 122 CO 0.16 -0.14 1.39 -2.14 -0.10 0.00 0.00 175.22 174.39 3ngb s PRO 123 N -0.26 4.30 -0.33 0.24 0.02 -1.26 -2.95 135.00 134.76 3ngb s PRO 123 Ca 0.01 2.24 0.03 0.00 0.02 0.00 0.00 61.00 63.30 3ngb s PRO 123 Cb -0.11 -3.12 0.10 0.00 0.02 0.00 0.00 34.50 31.39 3ngb s PRO 123 CO 0.02 -0.35 0.06 -0.51 -0.33 0.00 0.00 177.00 175.89 3ngb s LEU 124 N -0.58 4.15 0.70 -5.54 1.02 -1.23 -5.00 118.68 112.21 3ngb s LEU 124 Ca 0.57 -2.03 -0.14 0.00 0.02 0.00 0.00 54.13 52.55 3ngb s LEU 124 Cb -0.41 -1.45 0.02 0.00 0.02 0.00 0.00 46.19 44.38 3ngb s LEU 124 CO 0.44 -0.39 1.14 0.00 0.02 0.00 0.00 176.35 177.56 3ngb s ALA 125 N 1.07 2.31 1.17 4.21 0.00 -1.26 -4.05 121.76 125.22 3ngb s ALA 125 Ca 0.10 0.62 -0.08 0.00 0.00 0.00 0.00 51.96 52.60 3ngb s ALA 125 Cb -0.19 -3.36 0.13 0.00 0.00 0.00 0.00 23.12 19.70 3ngb s ALA 125 CO -0.12 -1.54 0.30 -2.30 0.00 0.00 0.00 175.76 172.09 3ngb n PRO 126 N -2.66 -3.00 0.00 0.00 -0.02 -1.26 -4.98 135.00 123.08 3ngb n PRO 126 Ca 0.11 -0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.09 3ngb n PRO 126 Cb 0.52 -0.65 0.00 0.00 -0.02 0.00 0.00 33.50 33.35 3ngb n PRO 126 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3ngb n SER 127 N -3.98 0.00 0.02 2.55 2.88 -1.26 -5.04 113.62 108.79 3ngb n SER 127 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 3ngb n SER 127 Cb 0.21 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 3ngb n SER 127 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 3ngb n SER 128 N 0.00 0.21 -3.93 -3.46 2.88 -1.26 -5.09 113.62 102.97 3ngb n SER 128 Ca 0.00 0.05 -0.18 0.00 -1.33 0.00 0.00 58.87 57.41 3ngb n SER 128 Cb 0.00 -0.04 -0.16 0.00 -0.75 0.00 0.00 64.21 63.26 3ngb n SER 128 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 3ngb s LYS 129 N -2.00 0.69 0.03 -1.46 2.20 -1.26 -5.15 119.74 112.79 3ngb s LYS 129 Ca 0.00 -0.16 -0.01 0.00 -0.36 0.00 0.00 55.97 55.43 3ngb s LYS 129 Cb 0.00 -0.69 -0.02 0.00 -1.51 0.00 0.00 37.83 35.61 3ngb s LYS 129 CO 0.00 0.02 -0.00 -1.54 -0.36 0.00 0.00 175.35 173.47 3ngb s SER 130 N 0.43 0.29 0.43 1.43 1.04 -1.26 -5.09 113.70 110.98 3ngb s SER 130 Ca -0.05 -0.64 0.07 0.00 0.48 0.00 0.00 55.95 55.81 3ngb s SER 130 Cb -0.09 0.15 -0.02 0.00 0.10 0.00 0.00 66.02 66.16 3ngb s SER 130 CO -0.00 -0.42 0.33 0.28 0.98 0.00 0.00 173.24 174.41 3ngb s THR 131 N -2.33 2.43 0.22 2.02 -1.32 -1.26 -4.99 115.64 110.41 3ngb s THR 131 Ca -0.08 -1.45 -0.08 0.00 -1.21 0.00 0.00 61.69 58.87 3ngb s THR 131 Cb -0.03 -2.88 0.19 0.00 -1.51 0.00 0.00 72.50 68.27 3ngb s THR 131 CO -0.04 0.00 1.89 0.28 -2.21 0.00 0.00 174.62 174.54 3ngb h SER 132 N 1.09 0.92 0.21 8.08 0.02 -2.01 -1.17 113.55 120.69 3ngb h SER 132 Ca -0.41 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.49 3ngb h SER 132 Cb 1.27 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.58 3ngb h SER 132 CO 0.61 0.65 -0.18 1.23 -1.14 0.00 0.00 176.83 178.00 3ngb h GLY 133 N 1.09 0.00 -0.37 -3.77 0.00 -2.05 -3.44 103.07 94.53 3ngb h GLY 133 Ca 0.32 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.54 3ngb h GLY 133 CO -0.09 0.00 -0.01 0.61 0.00 0.00 0.00 176.54 177.05 3ngb n GLY 134 N -0.96 1.82 0.44 4.60 0.00 -0.44 -5.15 105.19 105.50 3ngb n GLY 134 Ca -0.02 -2.13 -0.03 0.00 0.00 0.00 0.00 46.02 43.84 3ngb n GLY 134 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ngb n THR 135 N -1.34 0.00 -3.63 2.61 -2.24 -1.26 -4.44 114.28 103.99 3ngb n THR 135 Ca 0.04 -0.33 -0.29 0.00 -2.27 0.00 0.00 64.05 61.20 3ngb n THR 135 Cb 0.14 0.17 -0.12 0.00 -2.10 0.00 0.00 70.33 68.41 3ngb n THR 135 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ngb s ALA 136 N -2.17 1.86 0.59 6.98 0.00 -1.20 -4.80 121.76 123.01 3ngb s ALA 136 Ca 0.05 -2.47 -0.19 0.00 0.00 0.00 0.00 51.96 49.36 3ngb s ALA 136 Cb 0.00 -1.80 -0.04 0.00 0.00 0.00 0.00 23.12 21.28 3ngb s ALA 136 CO 0.04 -2.07 1.20 0.00 0.00 0.00 0.00 175.76 174.93 3ngb s ALA 137 N 0.40 2.56 0.09 0.00 0.00 -1.26 -4.61 121.76 118.94 3ngb s ALA 137 Ca 0.20 0.99 -0.25 0.00 0.00 0.00 0.00 51.96 52.89 3ngb s ALA 137 Cb -0.20 -3.44 0.09 0.00 0.00 0.00 0.00 23.12 19.57 3ngb s ALA 137 CO -0.03 -1.12 1.16 -0.48 0.00 0.00 0.00 175.76 175.29 3ngb s LEU 138 N -4.04 0.00 0.00 0.00 0.05 -1.22 -4.40 118.68 109.07 3ngb s LEU 138 Ca 0.77 -0.45 0.00 0.00 0.05 0.00 0.00 54.13 54.50 3ngb s LEU 138 Cb -0.30 1.72 0.00 0.00 -2.05 0.00 0.00 46.19 45.56 3ngb s LEU 138 CO 0.32 -0.66 0.00 0.61 -0.55 0.00 0.00 176.35 176.08 3ngb n GLY 139 N -0.79 -0.30 3.76 -3.48 0.00 -1.26 -3.48 105.19 99.65 3ngb n GLY 139 Ca -0.00 -0.68 -0.26 0.00 0.00 0.00 0.00 46.02 45.08 3ngb n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ngb n LEU 141 N -0.43 2.42 -4.59 0.00 7.94 -1.15 -3.69 117.00 117.50 3ngb n LEU 141 Ca -0.08 -5.11 -0.46 0.00 -1.11 0.00 0.00 56.01 49.24 3ngb n LEU 141 Cb 0.55 -0.36 -0.05 0.00 0.53 0.00 0.00 43.42 44.10 3ngb n LEU 141 CO 0.42 1.92 1.71 0.52 -1.11 0.00 0.00 177.39 180.85 3ngb n VAL 142 N 1.61 0.42 -4.63 1.96 0.31 -1.14 -3.86 118.33 113.00 3ngb n VAL 142 Ca 0.25 -0.28 -0.23 0.00 -0.01 0.00 0.00 64.34 64.07 3ngb n VAL 142 Cb 0.41 -2.12 -0.16 0.00 -0.91 0.00 0.00 33.84 31.07 3ngb n VAL 142 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3ngb s LYS 143 N 5.49 1.37 -0.22 5.55 2.20 -1.06 -2.91 119.74 130.16 3ngb s LYS 143 Ca 1.00 -0.47 -0.05 0.00 -0.36 0.00 0.00 55.97 56.09 3ngb s LYS 143 Cb -0.58 -1.23 0.02 0.00 -1.51 0.00 0.00 37.83 34.53 3ngb s LYS 143 CO 0.44 0.19 0.10 -0.25 -0.36 0.00 0.00 175.35 175.48 3ngb n ASP 144 N 3.17 -4.18 -3.49 1.43 8.00 -1.15 -1.61 116.55 118.72 3ngb n ASP 144 Ca -0.18 1.24 -0.08 0.00 0.71 0.00 0.00 54.79 56.48 3ngb n ASP 144 Cb 0.54 -4.81 -0.01 0.00 -0.02 0.00 0.00 41.12 36.81 3ngb n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3ngb s TYR 145 N -1.05 0.05 -0.29 1.24 -0.85 -1.20 -3.80 117.35 111.45 3ngb s TYR 145 Ca -0.12 -0.57 -0.22 0.00 -0.52 0.00 0.00 57.07 55.63 3ngb s TYR 145 Cb 0.01 0.66 0.18 0.00 0.38 0.00 0.00 41.96 43.19 3ngb s TYR 145 CO 0.70 -1.34 1.27 0.12 -1.52 0.00 0.00 175.55 174.79 3ngb s PHE 146 N -3.27 -0.20 0.00 -3.49 2.19 -1.24 -2.61 117.98 109.35 3ngb s PHE 146 Ca 0.15 0.46 0.00 0.00 0.33 0.00 0.00 56.93 57.87 3ngb s PHE 146 Cb -0.05 0.36 0.00 0.00 -1.31 0.00 0.00 43.02 42.02 3ngb s PHE 146 CO 0.10 -0.10 0.00 -2.30 1.83 0.00 0.00 175.22 174.75 3ngb n PRO 147 N 2.22 0.00 -4.11 10.12 -0.02 -1.26 -1.60 135.00 140.35 3ngb n PRO 147 Ca -0.13 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.25 3ngb n PRO 147 Cb 0.57 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.95 3ngb n PRO 147 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3ngb s GLU 148 N 1.46 1.03 0.00 -0.52 2.02 -1.26 -4.85 118.70 116.58 3ngb s GLU 148 Ca 0.00 -1.40 0.00 0.00 0.02 0.00 0.00 54.97 53.59 3ngb s GLU 148 Cb 0.00 0.28 0.00 0.00 0.10 0.00 0.00 34.13 34.51 3ngb s GLU 148 CO 0.00 -0.32 0.00 -2.30 0.02 0.00 0.00 175.26 172.66 3ngb n PRO 149 N -0.15 0.85 -3.12 0.39 -0.02 -1.26 -4.90 135.00 126.79 3ngb n PRO 149 Ca -0.05 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.24 3ngb n PRO 149 Cb 0.64 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 34.07 3ngb n PRO 149 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3ngb n VAL 150 N -1.04 -0.67 -1.56 -1.45 0.24 -1.26 -4.60 118.33 107.99 3ngb n VAL 150 Ca 0.00 -2.79 -0.44 0.00 -2.04 0.00 0.00 64.34 59.07 3ngb n VAL 150 Cb 0.00 -0.74 -0.04 0.00 -1.47 0.00 0.00 33.84 31.59 3ngb n VAL 150 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3ngb n THR 151 N 2.35 0.26 -4.35 3.34 -2.24 -1.25 -4.85 114.28 107.54 3ngb n THR 151 Ca 0.22 -0.45 -0.34 0.00 -2.27 0.00 0.00 64.05 61.21 3ngb n THR 151 Cb 0.53 -2.38 -0.12 0.00 -2.10 0.00 0.00 70.33 66.27 3ngb n THR 151 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3ngb s VAL 152 N 8.56 4.05 0.22 2.28 1.01 -1.26 -3.55 120.40 131.72 3ngb s VAL 152 Ca 1.03 -0.30 0.09 0.00 0.00 0.00 0.00 61.98 62.80 3ngb s VAL 152 Cb -0.44 -2.78 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 3ngb s VAL 152 CO 0.37 0.50 -0.17 -0.94 0.00 0.00 0.00 175.10 174.87 3ngb s SER 153 N 0.24 2.89 -0.15 3.32 1.04 -1.25 -5.00 113.70 114.79 3ngb s SER 153 Ca -0.02 -1.00 -0.01 0.00 0.48 0.00 0.00 55.95 55.41 3ngb s SER 153 Cb -0.14 -0.19 -0.01 0.00 0.10 0.00 0.00 66.02 65.79 3ngb s SER 153 CO 0.02 -0.09 -0.13 0.26 0.98 0.00 0.00 173.24 174.29 3ngb s TRP 154 N -2.72 2.82 -1.65 5.02 0.52 -1.26 -0.37 118.94 121.30 3ngb s TRP 154 Ca 0.24 -0.84 0.00 0.00 0.02 0.00 0.00 56.10 55.52 3ngb s TRP 154 Cb -0.03 -1.90 0.00 0.00 -1.15 0.00 0.00 33.47 30.39 3ngb s TRP 154 CO 0.09 -0.36 0.00 0.09 0.02 0.00 0.00 176.95 176.79 3ngb n ASN 155 N 3.92 -4.54 -3.44 2.95 3.02 -0.85 -2.05 115.26 114.28 3ngb n ASN 155 Ca -0.18 0.31 -0.19 0.00 -0.03 0.00 0.00 54.58 54.48 3ngb n ASN 155 Cb 0.52 -4.01 0.08 0.00 -0.61 0.00 0.00 39.78 35.77 3ngb n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3ngb n SER 156 N -1.21 -3.56 0.00 6.41 7.64 -1.26 -2.61 113.62 119.03 3ngb n SER 156 Ca -0.18 -0.58 0.00 0.00 1.01 0.00 0.00 58.87 59.12 3ngb n SER 156 Cb 0.58 -5.01 0.00 0.00 -1.01 0.00 0.00 64.21 58.77 3ngb n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ngb n GLY 157 N -1.43 0.60 1.11 0.23 0.00 -0.87 -4.92 105.19 99.90 3ngb n GLY 157 Ca -0.18 -0.23 0.08 0.00 0.00 0.00 0.00 46.02 45.69 3ngb n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ngb n ALA 158 N 0.25 2.58 -3.30 4.61 0.00 -1.07 -4.75 120.51 118.83 3ngb n ALA 158 Ca 0.00 -1.46 -0.10 0.00 0.00 0.00 0.00 53.44 51.88 3ngb n ALA 158 Cb 0.00 -0.75 -0.05 0.00 0.00 0.00 0.00 19.45 18.65 3ngb n ALA 158 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3ngb s LEU 159 N -1.47 -0.62 0.00 0.00 0.20 -1.15 -4.93 118.68 110.71 3ngb s LEU 159 Ca 0.40 -1.23 0.00 0.00 0.69 0.00 0.00 54.13 53.98 3ngb s LEU 159 Cb 0.24 1.09 0.00 0.00 -0.43 0.00 0.00 46.19 47.09 3ngb s LEU 159 CO 0.21 -0.23 0.25 0.35 -0.29 0.00 0.00 176.35 176.65 3ngb n THR 160 N 4.37 0.00 -1.90 3.68 -2.24 -1.26 -4.55 114.28 112.37 3ngb n THR 160 Ca 0.11 -0.49 -0.40 0.00 -2.27 0.00 0.00 64.05 61.00 3ngb n THR 160 Cb 0.50 1.01 -0.03 0.00 -2.10 0.00 0.00 70.33 69.70 3ngb n THR 160 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3ngb s SER 161 N -0.48 5.29 -0.90 3.42 0.01 -1.26 -3.31 113.70 116.46 3ngb s SER 161 Ca 0.00 0.87 -0.05 0.00 1.31 0.00 0.00 55.95 58.08 3ngb s SER 161 Cb 0.00 -2.52 -0.06 0.00 0.21 0.00 0.00 66.02 63.65 3ngb s SER 161 CO 0.00 -2.26 0.79 0.61 0.41 0.00 0.00 173.24 172.79 3ngb n GLY 162 N 5.68 -0.88 3.00 3.44 0.00 -1.26 -4.73 105.19 110.44 3ngb n GLY 162 Ca 0.25 0.47 -0.31 0.00 0.00 0.00 0.00 46.02 46.43 3ngb n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ngb s VAL 163 N -3.33 2.54 -0.38 1.61 1.01 -1.21 -3.71 120.40 116.93 3ngb s VAL 163 Ca 0.39 -2.74 -0.17 0.00 0.00 0.00 0.00 61.98 59.46 3ngb s VAL 163 Cb -0.05 -2.81 0.00 0.00 0.00 0.00 0.00 36.38 33.52 3ngb s VAL 163 CO 0.64 -0.70 0.43 -1.00 0.00 0.00 0.00 175.10 174.47 3ngb s HIS 164 N 0.40 3.18 -0.36 5.22 3.76 -1.19 -4.99 115.29 121.31 3ngb s HIS 164 Ca 0.13 -0.12 -0.14 0.00 -0.15 0.00 0.00 55.06 54.78 3ngb s HIS 164 Cb -0.22 -2.84 -0.00 0.00 1.11 0.00 0.00 32.58 30.63 3ngb s HIS 164 CO -0.04 -0.58 0.29 0.99 -0.85 0.00 0.00 174.74 174.55 3ngb s THR 165 N 2.17 5.24 0.20 1.30 2.01 -1.26 -2.99 115.64 122.32 3ngb s THR 165 Ca 0.14 -0.29 -0.30 0.00 0.31 0.00 0.00 61.69 61.54 3ngb s THR 165 Cb -0.16 -3.82 -0.09 0.00 0.01 0.00 0.00 72.50 68.44 3ngb s THR 165 CO 0.13 -0.14 1.34 -0.36 -0.69 0.00 0.00 174.62 174.91 3ngb s PHE 166 N 1.80 3.20 0.85 4.92 0.40 -0.29 -5.00 117.98 123.87 3ngb s PHE 166 Ca 0.07 1.16 -0.12 0.00 -0.60 0.00 0.00 56.93 57.45 3ngb s PHE 166 Cb -0.18 -3.65 0.11 0.00 0.51 0.00 0.00 43.02 39.81 3ngb s PHE 166 CO 0.11 -2.08 1.18 -2.14 0.70 0.00 0.00 175.22 172.99 3ngb s PRO 167 N -0.10 1.40 0.64 0.24 0.02 -1.26 -4.05 135.00 131.89 3ngb s PRO 167 Ca 0.58 1.68 -0.17 0.00 0.02 0.00 0.00 61.00 63.10 3ngb s PRO 167 Cb -0.38 -1.76 -0.06 0.00 0.02 0.00 0.00 34.50 32.33 3ngb s PRO 167 CO 0.39 -2.37 0.61 0.00 -0.33 0.00 0.00 177.00 175.30 3ngb n ALA 168 N -3.66 -1.03 -3.61 -1.55 0.00 -1.26 -4.72 120.51 104.68 3ngb n ALA 168 Ca 0.13 -0.11 -0.27 0.00 0.00 0.00 0.00 53.44 53.19 3ngb n ALA 168 Cb 0.51 -1.90 -0.16 0.00 0.00 0.00 0.00 19.45 17.90 3ngb n ALA 168 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3ngb s VAL 169 N -1.76 0.02 0.37 0.00 1.01 -1.18 -4.92 120.40 113.94 3ngb s VAL 169 Ca 0.69 -0.40 -0.28 0.00 0.00 0.00 0.00 61.98 61.99 3ngb s VAL 169 Cb -0.40 -0.77 -0.10 0.00 0.00 0.00 0.00 36.38 35.12 3ngb s VAL 169 CO 0.54 -0.40 1.34 -0.22 0.00 0.00 0.00 175.10 176.37 3ngb s LEU 170 N 2.08 4.33 0.00 3.92 2.96 -1.26 -1.27 118.68 129.44 3ngb s LEU 170 Ca 0.04 2.75 0.00 0.00 -0.22 0.00 0.00 54.13 56.70 3ngb s LEU 170 Cb -0.16 -3.74 0.00 0.00 0.50 0.00 0.00 46.19 42.79 3ngb s LEU 170 CO -0.16 -0.72 0.00 0.00 -1.32 0.00 0.00 176.35 174.15 3ngb n GLN 171 N 0.50 3.93 -0.05 1.98 6.02 -1.06 -4.93 117.38 123.77 3ngb n GLN 171 Ca 0.01 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 57.00 3ngb n GLN 171 Cb 0.42 0.00 -0.00 0.00 1.02 0.00 0.00 30.24 31.68 3ngb n GLN 171 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 3ngb h SER 172 N 0.00 0.00 -0.08 1.08 0.02 -1.96 -3.36 113.55 109.25 3ngb h SER 172 Ca 0.00 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 3ngb h SER 172 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 3ngb h SER 172 CO 0.00 0.47 0.15 0.77 -1.14 0.00 0.00 176.83 177.07 3ngb h SER 173 N -0.89 0.00 0.00 3.07 4.64 -2.03 -3.44 113.55 114.90 3ngb h SER 173 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ngb h SER 173 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3ngb h SER 173 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3ngb n GLY 174 N -1.28 1.51 2.97 -0.77 0.00 -1.26 -5.13 105.19 101.23 3ngb n GLY 174 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 3ngb n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ngb s LEU 175 N 0.00 1.67 0.99 0.99 1.43 -1.26 -4.96 118.68 117.54 3ngb s LEU 175 Ca 0.00 -0.16 -0.12 0.00 -1.03 0.00 0.00 54.13 52.82 3ngb s LEU 175 Cb 0.00 -0.50 0.19 0.00 0.03 0.00 0.00 46.19 45.90 3ngb s LEU 175 CO 0.00 0.03 1.08 -0.31 0.23 0.00 0.00 176.35 177.38 3ngb s TYR 176 N 0.39 2.00 -0.30 0.29 2.02 -1.07 -2.57 117.35 118.11 3ngb s TYR 176 Ca -0.06 1.16 -0.06 0.00 -0.37 0.00 0.00 57.07 57.74 3ngb s TYR 176 Cb -0.10 -3.20 0.19 0.00 -0.40 0.00 0.00 41.96 38.45 3ngb s TYR 176 CO 0.01 -2.92 0.86 0.45 -1.57 0.00 0.00 175.55 172.37 3ngb s SER 177 N -3.22 -0.87 0.54 2.29 0.15 -0.40 -2.94 113.70 109.26 3ngb s SER 177 Ca 0.65 0.36 0.04 0.00 0.70 0.00 0.00 55.95 57.71 3ngb s SER 177 Cb -0.20 1.66 0.03 0.00 -1.71 0.00 0.00 66.02 65.80 3ngb s SER 177 CO 0.59 -0.16 0.33 -1.48 1.20 0.00 0.00 173.24 173.72 3ngb s LEU 178 N 2.91 2.59 -0.04 3.45 0.05 -1.14 -3.12 118.68 123.37 3ngb s LEU 178 Ca 0.12 -1.35 -0.13 0.00 0.05 0.00 0.00 54.13 52.83 3ngb s LEU 178 Cb -0.09 -1.07 0.02 0.00 -2.05 0.00 0.00 46.19 43.00 3ngb s LEU 178 CO -0.19 -1.09 0.29 -0.44 -0.55 0.00 0.00 176.35 174.37 3ngb s SER 179 N -4.22 -0.20 -0.08 1.48 0.01 -1.26 -2.87 113.70 106.57 3ngb s SER 179 Ca 0.28 0.19 0.02 0.00 1.31 0.00 0.00 55.95 57.74 3ngb s SER 179 Cb -0.02 0.38 0.02 0.00 0.21 0.00 0.00 66.02 66.61 3ngb s SER 179 CO 0.17 -0.35 -0.12 -0.55 0.41 0.00 0.00 173.24 172.81 3ngb s SER 180 N -0.94 1.98 0.36 2.44 0.15 -1.24 -1.14 113.70 115.31 3ngb s SER 180 Ca -0.10 -0.32 0.05 0.00 0.70 0.00 0.00 55.95 56.28 3ngb s SER 180 Cb -0.05 -0.87 -0.07 0.00 -1.71 0.00 0.00 66.02 63.32 3ngb s SER 180 CO 0.03 -0.00 0.04 0.68 1.20 0.00 0.00 173.24 175.18 3ngb s VAL 181 N 0.95 1.51 -0.26 4.45 -7.23 -1.16 -3.73 120.40 114.93 3ngb s VAL 181 Ca -0.09 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 57.86 3ngb s VAL 181 Cb -0.15 -2.88 0.07 0.00 0.56 0.00 0.00 36.38 33.98 3ngb s VAL 181 CO 0.00 0.00 0.68 0.54 -0.31 0.00 0.00 175.10 176.02 3ngb s VAL 182 N -3.06 -0.00 -0.40 1.32 0.11 -1.23 -3.15 120.40 113.98 3ngb s VAL 182 Ca 0.36 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 59.31 3ngb s VAL 182 Cb 0.09 -0.96 0.06 0.00 -1.53 0.00 0.00 36.38 34.04 3ngb s VAL 182 CO 0.17 0.00 0.24 0.42 -3.33 0.00 0.00 175.10 172.60 3ngb s THR 183 N 0.61 4.39 0.13 5.04 -4.23 -1.24 -3.42 115.64 116.91 3ngb s THR 183 Ca -0.02 -1.19 0.09 0.00 -1.18 0.00 0.00 61.69 59.39 3ngb s THR 183 Cb -0.05 -3.60 -0.04 0.00 1.34 0.00 0.00 72.50 70.16 3ngb s THR 183 CO -0.03 -0.41 -0.23 0.68 -0.54 0.00 0.00 174.62 174.09 3ngb s VAL 184 N 1.48 1.93 -0.31 2.29 -7.23 -1.26 -4.93 120.40 112.36 3ngb s VAL 184 Ca 0.02 -1.69 -0.41 0.00 -1.81 0.00 0.00 61.98 58.09 3ngb s VAL 184 Cb -0.22 -1.77 -0.16 0.00 0.56 0.00 0.00 36.38 34.79 3ngb s VAL 184 CO 0.04 -0.06 1.72 -2.65 -0.31 0.00 0.00 175.10 173.85 3ngb n PRO 185 N 0.86 0.98 0.00 4.82 -0.02 -1.26 -3.26 135.00 137.12 3ngb n PRO 185 Ca -0.18 0.36 0.05 0.00 -2.02 0.00 0.00 63.50 61.71 3ngb n PRO 185 Cb 0.54 -2.01 0.23 0.00 -0.02 0.00 0.00 33.50 32.24 3ngb n PRO 185 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3ngb n SER 186 N 5.17 0.00 0.13 2.55 3.41 -1.26 -1.93 113.62 121.70 3ngb n SER 186 Ca 0.27 0.48 0.12 0.00 -0.26 0.00 0.00 58.87 59.48 3ngb n SER 186 Cb 0.10 -0.49 0.48 0.00 -0.26 0.00 0.00 64.21 64.04 3ngb n SER 186 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3ngb n SER 187 N -1.49 0.75 -3.11 4.04 3.41 -1.26 -3.72 113.62 112.24 3ngb n SER 187 Ca 0.03 0.65 -0.22 0.00 -0.26 0.00 0.00 58.87 59.06 3ngb n SER 187 Cb 0.12 -0.82 -0.04 0.00 -0.26 0.00 0.00 64.21 63.21 3ngb n SER 187 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3ngb n SER 188 N -2.29 2.35 -0.01 4.04 3.41 -0.81 -4.82 113.62 115.50 3ngb n SER 188 Ca 0.03 -3.27 0.10 0.00 -0.26 0.00 0.00 58.87 55.47 3ngb n SER 188 Cb 0.29 -0.60 -0.14 0.00 -0.26 0.00 0.00 64.21 63.49 3ngb n SER 188 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3ngb n LEU 189 N 0.19 0.41 -0.58 1.04 4.77 -1.24 -3.74 117.00 117.84 3ngb n LEU 189 Ca 0.27 -0.21 0.05 0.00 -0.03 0.00 0.00 56.01 56.09 3ngb n LEU 189 Cb 0.53 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.76 3ngb n LEU 189 CO 0.27 0.10 0.62 0.61 -1.33 0.00 0.00 177.39 177.66 3ngb n GLY 190 N 1.38 2.86 0.00 -0.72 0.00 -1.26 -4.59 105.19 102.85 3ngb n GLY 190 Ca -0.01 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 3ngb n GLY 190 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ngb n THR 191 N 0.35 0.00 -1.98 2.61 -2.24 -1.26 -5.08 114.28 106.68 3ngb n THR 191 Ca 0.11 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.59 3ngb n THR 191 Cb 0.43 -0.62 0.20 0.00 -2.10 0.00 0.00 70.33 68.23 3ngb n THR 191 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3ngb s GLN 192 N -1.86 0.46 -0.06 -0.78 -1.52 -1.25 -5.09 119.66 109.56 3ngb s GLN 192 Ca 0.00 -0.56 0.05 0.00 -1.95 0.00 0.00 55.36 52.90 3ngb s GLN 192 Cb 0.00 -1.86 -0.00 0.00 -0.22 0.00 0.00 33.01 30.93 3ngb s GLN 192 CO 0.00 -2.51 -0.21 0.95 -0.25 0.00 0.00 175.29 173.27 3ngb s THR 193 N -3.90 1.76 -0.38 -0.19 -4.23 -1.26 -4.97 115.64 102.46 3ngb s THR 193 Ca 0.76 -0.89 0.01 0.00 -1.18 0.00 0.00 61.69 60.39 3ngb s THR 193 Cb -0.03 -1.51 0.12 0.00 1.34 0.00 0.00 72.50 72.43 3ngb s THR 193 CO 0.53 0.50 0.18 -0.31 -0.54 0.00 0.00 174.62 174.98 3ngb s TYR 194 N 0.09 1.77 -0.16 3.99 2.02 -1.26 -4.98 117.35 118.82 3ngb s TYR 194 Ca -0.08 -2.11 -0.03 0.00 -0.37 0.00 0.00 57.07 54.49 3ngb s TYR 194 Cb -0.14 -1.74 0.05 0.00 -0.40 0.00 0.00 41.96 39.74 3ngb s TYR 194 CO 0.04 -0.82 0.03 0.42 -1.57 0.00 0.00 175.55 173.65 3ngb s ILE 195 N 0.87 0.49 -0.14 2.71 1.01 -1.26 -4.18 121.20 120.69 3ngb s ILE 195 Ca 0.15 -0.39 -0.18 0.00 0.00 0.00 0.00 60.65 60.23 3ngb s ILE 195 Cb -0.22 -0.91 -0.04 0.00 0.01 0.00 0.00 42.46 41.30 3ngb s ILE 195 CO -0.08 -0.10 0.46 0.00 0.00 0.00 0.00 174.94 175.22 3ngb n ASN 197 N 3.93 5.09 -4.55 0.00 4.13 0.50 -4.10 115.26 120.26 3ngb n ASN 197 Ca -0.07 -2.99 -0.30 0.00 1.68 0.00 0.00 54.58 52.90 3ngb n ASN 197 Cb 0.51 -1.54 -0.04 0.00 -1.54 0.00 0.00 39.78 37.17 3ngb n ASN 197 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3ngb s VAL 198 N 1.35 3.19 -0.22 2.41 1.01 -1.26 -3.78 120.40 123.11 3ngb s VAL 198 Ca 0.45 -0.02 -0.10 0.00 0.00 0.00 0.00 61.98 62.31 3ngb s VAL 198 Cb 0.12 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.98 3ngb s VAL 198 CO -0.04 -0.45 0.14 0.21 0.00 0.00 0.00 175.10 174.96 3ngb s ASN 199 N 9.96 6.11 -1.05 3.32 3.04 -1.23 -3.19 114.94 131.89 3ngb s ASN 199 Ca 0.83 0.16 -0.06 0.00 0.04 0.00 0.00 52.86 53.83 3ngb s ASN 199 Cb -0.13 -2.08 0.28 0.00 -1.54 0.00 0.00 41.25 37.77 3ngb s ASN 199 CO 0.15 0.13 1.14 1.57 -3.04 0.00 0.00 177.10 177.05 3ngb n HIS 200 N 3.85 4.30 -0.27 0.43 -0.00 -1.25 -3.90 115.22 118.38 3ngb n HIS 200 Ca -0.16 -3.63 0.14 0.00 -0.00 0.00 0.00 57.72 54.07 3ngb n HIS 200 Cb 0.52 -1.46 0.41 0.00 -0.00 0.00 0.00 29.99 29.46 3ngb n HIS 200 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.34 177.21 3ngb h LYS 201 N 6.14 0.60 0.00 1.57 1.79 -1.93 0.43 116.57 125.16 3ngb h LYS 201 Ca 0.18 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 3ngb h LYS 201 Cb 0.79 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.30 3ngb h LYS 201 CO 1.06 0.39 0.48 -1.35 -1.08 0.00 0.00 179.45 178.96 3ngb h PRO 202 N 0.61 0.00 0.00 3.15 0.11 -1.91 -2.94 132.00 131.03 3ngb h PRO 202 Ca 0.48 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.53 3ngb h PRO 202 Cb 0.89 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.94 3ngb h PRO 202 CO -0.22 0.00 -0.19 -1.13 -0.21 0.00 0.00 178.00 176.24 3ngb n SER 203 N -2.55 -0.28 -3.67 -2.05 3.41 -0.74 -4.97 113.62 102.75 3ngb n SER 203 Ca -0.01 -1.47 -0.22 0.00 -0.26 0.00 0.00 58.87 56.90 3ngb n SER 203 Cb 0.51 0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 3ngb n SER 203 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3ngb n ASN 204 N 0.03 -5.30 -3.56 4.04 3.02 0.07 -4.94 115.26 108.62 3ngb n ASN 204 Ca -0.09 -0.79 -0.27 0.00 -0.03 0.00 0.00 54.58 53.40 3ngb n ASN 204 Cb 0.62 -2.17 -0.09 0.00 -0.61 0.00 0.00 39.78 37.52 3ngb n ASN 204 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3ngb n THR 205 N -2.34 1.75 -1.80 3.41 -1.04 -1.08 -4.99 114.28 108.19 3ngb n THR 205 Ca -0.26 -4.94 -0.42 0.00 -2.04 0.00 0.00 64.05 56.39 3ngb n THR 205 Cb 0.67 -2.10 -0.03 0.00 -1.82 0.00 0.00 70.33 67.05 3ngb n THR 205 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3ngb s LYS 206 N -1.95 4.16 -0.34 -2.82 -0.14 -1.26 -3.81 119.74 113.58 3ngb s LYS 206 Ca 0.34 2.49 -0.00 0.00 -1.36 0.00 0.00 55.97 57.44 3ngb s LYS 206 Cb 0.08 -3.66 0.13 0.00 -1.68 0.00 0.00 37.83 32.70 3ngb s LYS 206 CO -0.08 -0.82 0.21 0.08 -0.76 0.00 0.00 175.35 173.98 3ngb s VAL 207 N 2.91 0.06 0.58 3.17 1.01 -1.19 -5.05 120.40 121.90 3ngb s VAL 207 Ca 0.79 -1.49 -0.14 0.00 0.00 0.00 0.00 61.98 61.13 3ngb s VAL 207 Cb -0.43 -1.06 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 3ngb s VAL 207 CO 0.35 -0.92 1.02 -1.81 0.00 0.00 0.00 175.10 173.75 3ngb s ASP 208 N 1.28 6.18 -0.11 3.32 -0.00 -1.26 -4.15 116.67 121.92 3ngb s ASP 208 Ca 0.16 1.59 -0.09 0.00 -0.00 0.00 0.00 52.55 54.21 3ngb s ASP 208 Cb -0.21 -2.50 0.03 0.00 -0.00 0.00 0.00 42.92 40.23 3ngb s ASP 208 CO -0.06 -0.90 0.28 -0.75 -0.00 0.00 0.00 175.17 173.75 3ngb s LYS 209 N -4.49 0.32 -0.50 8.23 2.47 -1.26 -5.06 119.74 119.46 3ngb s LYS 209 Ca 0.59 0.41 -0.12 0.00 -1.56 0.00 0.00 55.97 55.29 3ngb s LYS 209 Cb -0.12 0.14 0.12 0.00 -1.46 0.00 0.00 37.83 36.51 3ngb s LYS 209 CO 0.41 -0.05 0.41 0.15 0.16 0.00 0.00 175.35 176.43 3ngb s LYS 210 N 0.25 2.67 -1.27 4.03 1.02 -1.26 -4.12 119.74 121.07 3ngb s LYS 210 Ca -0.01 -1.76 -0.12 0.00 0.02 0.00 0.00 55.97 54.11 3ngb s LYS 210 Cb -0.03 -4.07 0.15 0.00 -0.52 0.00 0.00 37.83 33.37 3ngb s LYS 210 CO -0.01 -1.25 1.73 0.00 -0.92 0.00 0.00 175.35 174.91 3ngb n ALA 211 N 5.02 4.69 -2.78 5.17 0.00 -1.26 -4.92 120.51 126.43 3ngb n ALA 211 Ca -0.10 -4.22 -0.37 0.00 0.00 0.00 0.00 53.44 48.75 3ngb n ALA 211 Cb 0.40 -3.10 -0.06 0.00 0.00 0.00 0.00 19.45 16.69 3ngb n ALA 211 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3ngb s GLU 212 N 1.32 3.69 1.18 0.00 2.02 -1.26 -4.80 118.70 120.86 3ngb s GLU 212 Ca 0.42 -0.02 -0.16 0.00 0.02 0.00 0.00 54.97 55.24 3ngb s GLU 212 Cb 0.05 -3.25 0.23 0.00 0.10 0.00 0.00 34.13 31.26 3ngb s GLU 212 CO 0.00 0.66 0.59 -2.30 0.02 0.00 0.00 175.26 174.23 3ngb n PRO 213 N 2.28 -2.38 -1.69 0.39 -0.02 -1.26 -4.82 135.00 127.51 3ngb n PRO 213 Ca -0.18 -0.67 -0.44 0.00 -2.02 0.00 0.00 63.50 60.19 3ngb n PRO 213 Cb 0.54 -1.95 -0.04 0.00 -0.02 0.00 0.00 33.50 32.03 3ngb n PRO 213 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3ngb n LYS 214 N -3.88 2.55 -0.57 -0.52 4.76 -1.26 -4.86 118.16 114.38 3ngb n LYS 214 Ca 0.02 0.92 -0.10 0.00 -2.87 0.00 0.00 58.31 56.28 3ngb n LYS 214 Cb 0.57 -2.77 0.05 0.00 -1.84 0.00 0.00 35.03 31.04 3ngb n LYS 214 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 3ngb n SER 215 N 4.90 4.22 0.00 4.39 7.64 -1.26 -5.17 113.62 128.33 3ngb n SER 215 Ca 0.18 -2.70 0.00 0.00 1.01 0.00 0.00 58.87 57.36 3ngb n SER 215 Cb 0.34 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 3ngb n SER 215 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03