#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ngb n ILE 2 N 0.00 0.00 0.36 -3.67 -5.35 -1.26 -3.91 119.36 105.53 3ngb n ILE 2 Ca 0.00 0.00 0.06 0.00 -0.27 0.00 0.00 62.75 62.54 3ngb n ILE 2 Cb 0.00 0.00 -0.08 0.00 -1.74 0.00 0.00 39.64 37.82 3ngb n ILE 2 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 3ngb n VAL 3 N 0.00 0.00 -3.76 7.28 0.24 -1.26 -4.93 118.33 115.90 3ngb n VAL 3 Ca 0.00 -0.24 -0.37 0.00 -2.04 0.00 0.00 64.34 61.69 3ngb n VAL 3 Cb 0.00 0.72 -0.13 0.00 -1.47 0.00 0.00 33.84 32.96 3ngb n VAL 3 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3ngb s LEU 4 N -3.04 3.86 -0.35 1.34 1.43 -1.25 -2.89 118.68 117.77 3ngb s LEU 4 Ca 0.01 -0.70 -0.09 0.00 -1.03 0.00 0.00 54.13 52.33 3ngb s LEU 4 Cb 0.09 -1.89 0.03 0.00 0.03 0.00 0.00 46.19 44.45 3ngb s LEU 4 CO 0.50 -0.19 0.16 -0.89 0.23 0.00 0.00 176.35 176.16 3ngb s THR 5 N 1.50 4.21 -0.15 5.49 2.01 -0.18 -4.65 115.64 123.87 3ngb s THR 5 Ca 0.03 -0.95 -0.05 0.00 0.31 0.00 0.00 61.69 61.03 3ngb s THR 5 Cb -0.17 -3.35 -0.03 0.00 0.01 0.00 0.00 72.50 68.96 3ngb s THR 5 CO 0.03 -0.19 0.00 -1.58 -0.69 0.00 0.00 174.62 172.19 3ngb s GLN 6 N 1.49 3.64 0.02 4.92 0.74 -1.26 -0.35 119.66 128.86 3ngb s GLN 6 Ca 0.01 -0.44 -0.08 0.00 0.05 0.00 0.00 55.36 54.89 3ngb s GLN 6 Cb -0.19 -2.99 0.00 0.00 1.10 0.00 0.00 33.01 30.93 3ngb s GLN 6 CO 0.05 0.34 0.16 -1.54 -0.55 0.00 0.00 175.29 173.75 3ngb s SER 7 N 0.13 0.04 1.06 6.67 1.04 -0.60 -4.63 113.70 117.40 3ngb s SER 7 Ca 0.01 -0.29 -0.16 0.00 0.48 0.00 0.00 55.95 55.99 3ngb s SER 7 Cb -0.13 0.24 0.22 0.00 0.10 0.00 0.00 66.02 66.45 3ngb s SER 7 CO 0.02 -0.46 1.15 -2.65 0.98 0.00 0.00 173.24 172.28 3ngb n PRO 8 N 1.09 -1.62 0.01 4.02 -0.02 -1.26 -0.14 135.00 137.08 3ngb n PRO 8 Ca -0.21 -1.79 -0.11 0.00 -2.02 0.00 0.00 63.50 59.37 3ngb n PRO 8 Cb 0.57 -1.30 -0.14 0.00 -0.02 0.00 0.00 33.50 32.61 3ngb n PRO 8 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3ngb h GLY 9 N -1.81 0.09 -4.88 -1.23 0.00 -1.82 -3.41 103.07 90.01 3ngb h GLY 9 Ca -0.38 -0.22 -0.26 0.00 0.00 0.00 0.00 47.33 46.47 3ngb h GLY 9 CO 0.27 0.19 -0.73 -1.59 0.00 0.00 0.00 176.54 174.68 3ngb s THR 10 N -2.61 0.45 -0.16 4.70 2.01 -1.26 -1.98 115.64 116.78 3ngb s THR 10 Ca -0.07 -0.94 -0.03 0.00 0.31 0.00 0.00 61.69 60.96 3ngb s THR 10 Cb 0.08 -0.51 0.05 0.00 0.01 0.00 0.00 72.50 72.13 3ngb s THR 10 CO 0.82 -0.34 0.05 -0.22 -0.69 0.00 0.00 174.62 174.24 3ngb s LEU 11 N -1.38 0.81 -0.40 4.42 2.96 0.12 -4.90 118.68 120.31 3ngb s LEU 11 Ca -0.10 -0.61 -0.16 0.00 -0.22 0.00 0.00 54.13 53.05 3ngb s LEU 11 Cb -0.09 -0.45 0.02 0.00 0.50 0.00 0.00 46.19 46.16 3ngb s LEU 11 CO 0.00 -0.30 0.35 -0.44 -1.32 0.00 0.00 176.35 174.64 3ngb s SER 12 N 1.97 6.14 0.14 3.68 0.01 -1.26 -0.74 113.70 123.65 3ngb s SER 12 Ca 0.01 -0.74 -0.01 0.00 1.31 0.00 0.00 55.95 56.53 3ngb s SER 12 Cb -0.16 -2.18 -0.04 0.00 0.21 0.00 0.00 66.02 63.85 3ngb s SER 12 CO -0.08 -0.47 0.07 -0.76 0.41 0.00 0.00 173.24 172.41 3ngb s LEU 13 N 1.87 1.68 0.08 2.44 1.43 -0.76 -4.85 118.68 120.57 3ngb s LEU 13 Ca 0.08 -1.24 0.05 0.00 -1.03 0.00 0.00 54.13 51.99 3ngb s LEU 13 Cb -0.18 0.29 -0.04 0.00 0.03 0.00 0.00 46.19 46.29 3ngb s LEU 13 CO 0.11 -0.74 -0.03 -0.44 0.23 0.00 0.00 176.35 175.48 3ngb s SER 14 N -3.07 4.84 -0.78 2.29 0.01 -1.26 -0.03 113.70 115.70 3ngb s SER 14 Ca 0.27 -0.22 -0.23 0.00 1.31 0.00 0.00 55.95 57.07 3ngb s SER 14 Cb 0.07 -1.10 -0.17 0.00 0.21 0.00 0.00 66.02 65.03 3ngb s SER 14 CO 0.04 0.19 2.40 -2.65 0.41 0.00 0.00 173.24 173.63 3ngb n PRO 15 N 0.71 0.51 0.00 12.44 -0.02 -1.26 -1.42 135.00 145.95 3ngb n PRO 15 Ca -0.12 -0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.01 3ngb n PRO 15 Cb 0.52 -2.83 0.00 0.00 -0.02 0.00 0.00 33.50 31.17 3ngb n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ngb n GLY 16 N 6.30 1.45 1.56 -1.23 0.00 -0.96 -4.95 105.19 107.37 3ngb n GLY 16 Ca 0.51 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 46.33 3ngb n GLY 16 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ngb n GLU 17 N 0.00 -2.03 -4.61 1.61 1.02 -0.51 -4.40 120.64 111.72 3ngb n GLU 17 Ca 0.00 -0.78 -0.32 0.00 -0.02 0.00 0.00 57.16 56.05 3ngb n GLU 17 Cb 0.00 -0.74 -0.17 0.00 -0.02 0.00 0.00 31.44 30.52 3ngb n GLU 17 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3ngb s THR 18 N -1.87 1.94 -0.06 2.62 -4.23 -1.26 -2.27 115.64 110.52 3ngb s THR 18 Ca 0.32 -0.91 -0.18 0.00 -1.18 0.00 0.00 61.69 59.74 3ngb s THR 18 Cb -0.03 -1.73 -0.05 0.00 1.34 0.00 0.00 72.50 72.03 3ngb s THR 18 CO 0.24 0.53 0.50 0.00 -0.54 0.00 0.00 174.62 175.35 3ngb s ALA 19 N 0.86 3.53 -0.32 3.99 0.00 -1.10 -4.93 121.76 123.80 3ngb s ALA 19 Ca -0.07 -0.12 -0.00 0.00 0.00 0.00 0.00 51.96 51.77 3ngb s ALA 19 Cb -0.15 -2.62 0.10 0.00 0.00 0.00 0.00 23.12 20.45 3ngb s ALA 19 CO -0.02 0.16 0.10 0.42 0.00 0.00 0.00 175.76 176.41 3ngb s ILE 20 N -0.01 1.01 -0.02 0.00 1.01 -1.26 -1.56 121.20 120.37 3ngb s ILE 20 Ca 0.27 -1.52 0.01 0.00 0.00 0.00 0.00 60.65 59.42 3ngb s ILE 20 Cb -0.16 -1.76 -0.03 0.00 0.01 0.00 0.00 42.46 40.51 3ngb s ILE 20 CO 0.13 -0.68 -0.02 -0.51 0.00 0.00 0.00 174.94 173.87 3ngb s ILE 21 N 1.52 4.05 0.35 2.92 2.07 -0.26 -4.73 121.20 127.10 3ngb s ILE 21 Ca 0.10 -0.57 0.06 0.00 -1.41 0.00 0.00 60.65 58.84 3ngb s ILE 21 Cb -0.18 -2.77 -0.07 0.00 0.13 0.00 0.00 42.46 39.58 3ngb s ILE 21 CO -0.23 0.43 -0.01 -0.94 -1.91 0.00 0.00 174.94 172.28 3ngb s SER 22 N -1.37 3.21 -0.27 4.50 1.04 0.81 -0.21 113.70 121.40 3ngb s SER 22 Ca 0.18 -1.30 -0.00 0.00 0.48 0.00 0.00 55.95 55.30 3ngb s SER 22 Cb -0.11 -0.26 0.16 0.00 0.10 0.00 0.00 66.02 65.91 3ngb s SER 22 CO 0.08 -0.42 0.43 0.00 0.98 0.00 0.00 173.24 174.31 3ngb s ARG 24 N 2.60 4.48 -0.04 0.00 3.52 0.53 -1.74 118.95 128.30 3ngb s ARG 24 Ca 0.12 1.04 0.03 0.00 -0.13 0.00 0.00 55.73 56.79 3ngb s ARG 24 Cb -0.14 -3.36 0.01 0.00 -1.56 0.00 0.00 34.95 29.90 3ngb s ARG 24 CO -0.23 0.30 -0.12 -0.08 -0.81 0.00 0.00 175.30 174.37 3ngb s THR 25 N -0.10 1.05 0.03 4.11 -1.32 -0.21 -1.01 115.64 118.19 3ngb s THR 25 Ca 0.38 -0.48 -0.26 0.00 -1.21 0.00 0.00 61.69 60.12 3ngb s THR 25 Cb -0.20 -0.94 -0.17 0.00 -1.51 0.00 0.00 72.50 69.68 3ngb s THR 25 CO 0.22 0.32 1.38 0.77 -2.21 0.00 0.00 174.62 175.11 3ngb h SER 26 N 6.60 -0.34 -4.24 8.08 4.64 -1.84 -3.43 113.55 123.02 3ngb h SER 26 Ca -0.33 -0.14 -0.46 0.00 -0.47 0.00 0.00 61.79 60.39 3ngb h SER 26 Cb 1.18 0.09 0.10 0.00 -0.31 0.00 0.00 62.40 63.45 3ngb h SER 26 CO 0.48 -0.04 0.35 -1.10 -0.87 0.00 0.00 176.83 175.65 3ngb s GLN 27 N -5.09 1.92 -0.34 4.77 -0.21 -1.26 -5.02 119.66 114.43 3ngb s GLN 27 Ca -0.15 -0.08 -0.01 0.00 0.02 0.00 0.00 55.36 55.15 3ngb s GLN 27 Cb 0.03 -2.02 0.08 0.00 1.00 0.00 0.00 33.01 32.10 3ngb s GLN 27 CO 0.58 -1.55 0.07 0.71 -2.12 0.00 0.00 175.29 172.99 3ngb s TYR 28 N -3.49 3.46 0.00 0.91 1.51 -1.26 -5.00 117.35 113.48 3ngb s TYR 28 Ca 0.62 -2.26 0.00 0.00 -1.01 0.00 0.00 57.07 54.43 3ngb s TYR 28 Cb -0.10 -2.62 0.00 0.00 -0.11 0.00 0.00 41.96 39.13 3ngb s TYR 28 CO 0.48 -0.89 0.00 0.41 -1.11 0.00 0.00 175.55 174.44 3ngb n GLY 29 N 4.55 5.19 3.42 0.71 0.00 -1.26 -5.08 105.19 112.72 3ngb n GLY 29 Ca -0.07 -1.37 -0.44 0.00 0.00 0.00 0.00 46.02 44.14 3ngb n GLY 29 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ngb s SER 30 N 1.02 7.17 0.29 1.61 0.01 -1.26 -4.90 113.70 117.64 3ngb s SER 30 Ca 0.00 -3.22 -0.29 0.00 1.31 0.00 0.00 55.95 53.75 3ngb s SER 30 Cb 0.00 -2.33 -0.10 0.00 0.21 0.00 0.00 66.02 63.80 3ngb s SER 30 CO 0.00 -0.58 1.17 -0.22 0.41 0.00 0.00 173.24 174.02 3ngb s LEU 33 N 0.54 4.51 0.24 2.44 0.20 -1.26 -4.44 118.68 120.92 3ngb s LEU 33 Ca 0.38 2.40 0.03 0.00 0.69 0.00 0.00 54.13 57.63 3ngb s LEU 33 Cb -0.05 -3.63 -0.05 0.00 -0.43 0.00 0.00 46.19 42.02 3ngb s LEU 33 CO -0.03 -0.27 0.03 0.00 -0.29 0.00 0.00 176.35 175.79 3ngb s ALA 34 N -1.13 1.77 -0.02 5.97 0.00 0.82 -0.04 121.76 129.14 3ngb s ALA 34 Ca 0.46 -1.80 0.04 0.00 0.00 0.00 0.00 51.96 50.67 3ngb s ALA 34 Cb -0.34 0.66 -0.01 0.00 0.00 0.00 0.00 23.12 23.43 3ngb s ALA 34 CO 0.45 -0.32 -0.14 -1.58 0.00 0.00 0.00 175.76 174.16 3ngb s TRP 35 N -3.53 1.32 0.13 0.00 0.52 0.14 -0.91 118.94 116.60 3ngb s TRP 35 Ca 0.31 -0.28 0.08 0.00 0.02 0.00 0.00 56.10 56.24 3ngb s TRP 35 Cb 0.07 -0.86 -0.04 0.00 -1.15 0.00 0.00 33.47 31.48 3ngb s TRP 35 CO 0.10 -0.05 -0.20 0.71 0.02 0.00 0.00 176.95 177.53 3ngb s TYR 36 N -0.23 1.82 -0.07 -1.98 1.51 0.48 -0.85 117.35 118.03 3ngb s TYR 36 Ca 0.03 -0.44 0.05 0.00 -1.01 0.00 0.00 57.07 55.70 3ngb s TYR 36 Cb -0.07 -0.95 -0.00 0.00 -0.11 0.00 0.00 41.96 40.83 3ngb s TYR 36 CO -0.00 0.27 -0.22 -1.14 -1.11 0.00 0.00 175.55 173.35 3ngb s GLN 37 N -2.35 2.47 -0.35 -0.62 0.74 0.20 -1.46 119.66 118.28 3ngb s GLN 37 Ca 0.11 -0.80 0.01 0.00 0.05 0.00 0.00 55.36 54.74 3ngb s GLN 37 Cb -0.08 -2.01 0.11 0.00 1.10 0.00 0.00 33.01 32.13 3ngb s GLN 37 CO 0.05 0.26 0.12 -1.14 -0.55 0.00 0.00 175.29 174.04 3ngb s GLN 38 N 0.10 1.04 0.44 1.67 0.74 -0.57 0.06 119.66 123.13 3ngb s GLN 38 Ca -0.09 -1.50 -0.23 0.00 0.05 0.00 0.00 55.36 53.59 3ngb s GLN 38 Cb -0.15 -2.36 -0.08 0.00 1.10 0.00 0.00 33.01 31.52 3ngb s GLN 38 CO 0.05 -1.02 1.08 1.03 -0.55 0.00 0.00 175.29 175.88 3ngb s ARG 39 N 1.12 3.94 -0.30 1.67 0.52 -1.26 -2.81 118.95 121.83 3ngb s ARG 39 Ca 0.12 1.56 -0.41 0.00 -0.52 0.00 0.00 55.73 56.47 3ngb s ARG 39 Cb -0.20 -2.39 -0.17 0.00 0.52 0.00 0.00 34.95 32.72 3ngb s ARG 39 CO -0.15 -0.34 1.68 -2.30 0.02 0.00 0.00 175.30 174.21 3ngb n PRO 40 N -0.42 0.88 0.00 3.54 -0.02 -1.26 -1.77 135.00 135.95 3ngb n PRO 40 Ca 0.07 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 3ngb n PRO 40 Cb 0.50 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 3ngb n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ngb n GLY 41 N 4.01 2.29 3.53 -1.23 0.00 -1.26 -5.00 105.19 107.53 3ngb n GLY 41 Ca 0.27 -0.44 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 3ngb n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ngb s GLN 42 N 0.00 -0.98 0.29 1.61 -0.21 -0.73 -5.03 119.66 114.61 3ngb s GLN 42 Ca 0.00 0.41 -0.08 0.00 0.02 0.00 0.00 55.36 55.70 3ngb s GLN 42 Cb 0.00 -1.58 -0.06 0.00 1.00 0.00 0.00 33.01 32.36 3ngb s GLN 42 CO 0.00 -3.65 0.61 0.00 -2.12 0.00 0.00 175.29 170.12 3ngb s ALA 43 N -2.70 3.53 0.77 6.09 0.00 -1.26 -4.66 121.76 123.52 3ngb s ALA 43 Ca 0.68 -0.34 -0.15 0.00 0.00 0.00 0.00 51.96 52.15 3ngb s ALA 43 Cb -0.18 -2.46 -0.00 0.00 0.00 0.00 0.00 23.12 20.48 3ngb s ALA 43 CO 0.60 0.30 0.70 -2.30 0.00 0.00 0.00 175.76 175.06 3ngb n PRO 44 N -0.66 0.25 -4.20 0.00 -0.02 -1.26 -4.70 135.00 124.41 3ngb n PRO 44 Ca 0.00 0.13 -0.20 0.00 -2.02 0.00 0.00 63.50 61.42 3ngb n PRO 44 Cb 0.53 -2.01 -0.16 0.00 -0.02 0.00 0.00 33.50 31.84 3ngb n PRO 44 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3ngb s ARG 45 N -3.20 0.87 0.14 -0.52 3.52 0.11 -4.91 118.95 114.95 3ngb s ARG 45 Ca 0.67 -0.13 -0.31 0.00 -0.13 0.00 0.00 55.73 55.82 3ngb s ARG 45 Cb -0.32 -0.85 -0.09 0.00 -1.56 0.00 0.00 34.95 32.13 3ngb s ARG 45 CO 0.57 -0.06 1.52 -1.17 -0.81 0.00 0.00 175.30 175.35 3ngb s LEU 46 N 0.82 4.37 -0.05 -0.88 2.96 -1.26 -0.63 118.68 124.00 3ngb s LEU 46 Ca -0.11 2.51 -0.04 0.00 -0.22 0.00 0.00 54.13 56.27 3ngb s LEU 46 Cb -0.14 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 42.94 3ngb s LEU 46 CO 0.01 -0.78 -0.09 0.52 -1.32 0.00 0.00 176.35 174.69 3ngb n VAL 47 N 4.05 0.56 -4.16 1.68 0.31 -0.03 -4.77 118.33 115.97 3ngb n VAL 47 Ca 0.13 -0.01 -0.16 0.00 -0.01 0.00 0.00 64.34 64.29 3ngb n VAL 47 Cb 0.40 -1.63 -0.14 0.00 -0.91 0.00 0.00 33.84 31.55 3ngb n VAL 47 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3ngb s ILE 48 N -2.15 0.42 0.07 2.52 -1.09 -1.15 -1.31 121.20 118.51 3ngb s ILE 48 Ca -0.09 -0.24 0.02 0.00 -2.23 0.00 0.00 60.65 58.11 3ngb s ILE 48 Cb 0.03 -0.36 -0.03 0.00 -1.58 0.00 0.00 42.46 40.52 3ngb s ILE 48 CO 0.12 0.11 -0.08 -0.72 -1.23 0.00 0.00 174.94 173.13 3ngb s TYR 49 N -0.15 0.84 -1.80 3.97 1.13 0.54 0.24 117.35 122.12 3ngb s TYR 49 Ca 0.02 -0.65 0.00 0.00 -1.41 0.00 0.00 57.07 55.02 3ngb s TYR 49 Cb -0.02 -0.48 0.00 0.00 -1.10 0.00 0.00 41.96 40.35 3ngb s TYR 49 CO -0.00 -0.08 0.00 0.45 -2.51 0.00 0.00 175.55 173.41 3ngb n SER 50 N 0.82 -5.73 0.00 -0.18 2.88 -0.95 -2.17 113.62 108.30 3ngb n SER 50 Ca -0.18 0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 3ngb n SER 50 Cb 0.57 -4.78 0.00 0.00 -0.75 0.00 0.00 64.21 59.25 3ngb n SER 50 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3ngb n GLY 51 N -0.94 2.57 0.00 0.46 0.00 0.94 -4.44 105.19 103.79 3ngb n GLY 51 Ca -0.23 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.22 3ngb n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ngb n SER 52 N 3.07 0.10 -4.66 1.61 3.41 -1.25 -4.42 113.62 111.48 3ngb n SER 52 Ca 0.00 -0.26 -0.43 0.00 -0.26 0.00 0.00 58.87 57.93 3ngb n SER 52 Cb 0.00 0.53 -0.02 0.00 -0.26 0.00 0.00 64.21 64.46 3ngb n SER 52 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3ngb s THR 53 N -0.55 4.30 0.21 6.66 2.01 -0.92 -4.44 115.64 122.90 3ngb s THR 53 Ca 0.00 1.58 -0.30 0.00 0.31 0.00 0.00 61.69 63.28 3ngb s THR 53 Cb 0.00 -4.02 -0.08 0.00 0.01 0.00 0.00 72.50 68.41 3ngb s THR 53 CO 0.00 -0.13 1.03 -0.60 -0.69 0.00 0.00 174.62 174.23 3ngb s ARG 54 N 3.36 4.71 1.06 4.92 3.52 -1.26 -0.34 118.95 134.92 3ngb s ARG 54 Ca 0.54 1.63 -0.16 0.00 -0.13 0.00 0.00 55.73 57.61 3ngb s ARG 54 Cb -0.22 -3.27 0.22 0.00 -1.56 0.00 0.00 34.95 30.13 3ngb s ARG 54 CO 0.15 0.27 1.16 0.00 -0.81 0.00 0.00 175.30 176.07 3ngb s ALA 55 N -0.74 1.24 0.01 6.12 0.00 -0.43 -4.90 121.76 123.06 3ngb s ALA 55 Ca 0.45 -0.84 -0.30 0.00 0.00 0.00 0.00 51.96 51.28 3ngb s ALA 55 Cb -0.28 -2.92 -0.03 0.00 0.00 0.00 0.00 23.12 19.88 3ngb s ALA 55 CO 0.35 -2.98 0.97 0.00 0.00 0.00 0.00 175.76 174.10 3ngb s ALA 56 N -3.25 3.18 0.00 0.00 0.00 -1.26 -3.32 121.76 117.11 3ngb s ALA 56 Ca 0.69 0.53 0.00 0.00 0.00 0.00 0.00 51.96 53.18 3ngb s ALA 56 Cb -0.11 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.70 3ngb s ALA 56 CO 0.55 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.52 3ngb n GLY 57 N 2.82 2.02 3.71 0.00 0.00 -1.26 -5.04 105.19 107.44 3ngb n GLY 57 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3ngb n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ngb s ILE 58 N -2.36 4.52 0.83 -0.61 -1.09 -1.21 -5.02 121.20 116.26 3ngb s ILE 58 Ca 0.00 1.81 -0.13 0.00 -2.23 0.00 0.00 60.65 60.10 3ngb s ILE 58 Cb 0.00 -4.16 0.08 0.00 -1.58 0.00 0.00 42.46 36.80 3ngb s ILE 58 CO 0.00 0.14 1.08 -2.65 -1.23 0.00 0.00 174.94 172.28 3ngb n PRO 59 N 3.90 0.04 0.00 2.79 -0.02 -1.26 -4.89 135.00 135.55 3ngb n PRO 59 Ca 0.07 0.09 0.10 0.00 -2.02 0.00 0.00 63.50 61.74 3ngb n PRO 59 Cb 0.49 -2.33 0.47 0.00 -0.02 0.00 0.00 33.50 32.10 3ngb n PRO 59 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3ngb n ASP 60 N -3.07 0.00 0.02 2.55 5.68 -1.26 -3.08 116.55 117.39 3ngb n ASP 60 Ca 0.12 0.24 -0.12 0.00 -0.50 0.00 0.00 54.79 54.54 3ngb n ASP 60 Cb 0.51 -0.39 -0.06 0.00 -1.14 0.00 0.00 41.12 40.03 3ngb n ASP 60 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 3ngb h ARG 61 N 0.00 0.06 -6.80 0.11 3.08 -1.94 -3.42 114.38 105.48 3ngb h ARG 61 Ca 0.00 -0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 3ngb h ARG 61 Cb 0.26 -0.01 0.08 0.00 0.08 0.00 0.00 29.97 30.38 3ngb h ARG 61 CO 0.00 0.05 0.89 -0.06 -1.07 0.00 0.00 179.97 179.78 3ngb s PHE 62 N -6.15 2.76 -0.03 3.04 0.40 -1.18 -2.89 117.98 113.93 3ngb s PHE 62 Ca -0.13 0.76 -0.18 0.00 -0.60 0.00 0.00 56.93 56.78 3ngb s PHE 62 Cb 0.06 -4.07 0.03 0.00 0.51 0.00 0.00 43.02 39.56 3ngb s PHE 62 CO 0.67 -3.62 0.40 -1.54 0.70 0.00 0.00 175.22 171.83 3ngb s SER 63 N 0.52 -0.31 -0.08 1.36 1.04 -0.82 -4.99 113.70 110.43 3ngb s SER 63 Ca 0.64 0.27 0.01 0.00 0.48 0.00 0.00 55.95 57.35 3ngb s SER 63 Cb -0.48 0.40 0.02 0.00 0.10 0.00 0.00 66.02 66.06 3ngb s SER 63 CO 0.47 -0.46 -0.09 -0.83 0.98 0.00 0.00 173.24 173.31 3ngb s GLY 64 N -1.20 0.75 0.21 7.32 0.00 -1.26 -1.19 107.32 111.96 3ngb s GLY 64 Ca -0.12 -0.41 0.10 0.00 0.00 0.00 0.00 44.72 44.29 3ngb s GLY 64 CO 0.05 0.43 -0.09 -1.35 0.00 0.00 0.00 173.10 172.14 3ngb s SER 65 N 1.10 4.19 -0.02 1.64 1.04 -0.67 -4.26 113.70 116.72 3ngb s SER 65 Ca -0.07 -0.67 0.01 0.00 0.48 0.00 0.00 55.95 55.70 3ngb s SER 65 Cb -0.14 -0.67 0.01 0.00 0.10 0.00 0.00 66.02 65.32 3ngb s SER 65 CO -0.01 0.07 -0.02 -0.60 0.98 0.00 0.00 173.24 173.66 3ngb s ARG 66 N -3.11 0.36 -0.30 4.02 3.52 -1.26 -0.48 118.95 121.70 3ngb s ARG 66 Ca 0.27 -0.03 -0.02 0.00 -0.13 0.00 0.00 55.73 55.82 3ngb s ARG 66 Cb -0.08 -0.44 0.12 0.00 -1.56 0.00 0.00 34.95 33.00 3ngb s ARG 66 CO 0.16 -0.04 0.23 -0.46 -0.81 0.00 0.00 175.30 174.38 3ngb s TRP 67 N 0.55 -0.04 0.00 5.12 -0.11 -0.72 -5.04 118.94 118.69 3ngb s TRP 67 Ca -0.06 -0.63 0.00 0.00 1.22 0.00 0.00 56.10 56.63 3ngb s TRP 67 Cb -0.09 -0.67 0.00 0.00 -1.50 0.00 0.00 33.47 31.21 3ngb s TRP 67 CO -0.01 -0.88 0.00 0.41 -4.62 0.00 0.00 176.95 171.85 3ngb n GLY 68 N 5.09 0.77 0.08 5.86 0.00 -1.26 -3.07 105.19 112.66 3ngb n GLY 68 Ca -0.01 -0.68 0.13 0.00 0.00 0.00 0.00 46.02 45.46 3ngb n GLY 68 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ngb n PRO 69 N 12.30 0.22 -3.36 1.61 -0.02 -1.26 -4.83 135.00 139.66 3ngb n PRO 69 Ca 0.00 0.16 -0.39 0.00 -2.02 0.00 0.00 63.50 61.26 3ngb n PRO 69 Cb 0.00 -1.74 -0.08 0.00 -0.02 0.00 0.00 33.50 31.66 3ngb n PRO 69 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3ngb s ASP 70 N -4.23 6.40 0.16 2.55 1.01 -1.18 -1.05 116.67 120.34 3ngb s ASP 70 Ca 0.11 0.47 0.06 0.00 0.71 0.00 0.00 52.55 53.90 3ngb s ASP 70 Cb 0.14 -2.24 -0.04 0.00 1.01 0.00 0.00 42.92 41.79 3ngb s ASP 70 CO 0.60 -0.13 0.07 -0.31 0.21 0.00 0.00 175.17 175.61 3ngb s TYR 71 N 1.62 3.01 0.03 4.23 1.51 -0.71 -1.76 117.35 125.27 3ngb s TYR 71 Ca 0.19 -0.07 0.04 0.00 -1.01 0.00 0.00 57.07 56.22 3ngb s TYR 71 Cb -0.15 -1.46 -0.02 0.00 -0.11 0.00 0.00 41.96 40.23 3ngb s TYR 71 CO 0.09 0.52 -0.11 -0.80 -1.11 0.00 0.00 175.55 174.13 3ngb s ASN 72 N -2.99 1.34 -0.05 2.29 -0.87 0.37 -1.43 114.94 113.61 3ngb s ASN 72 Ca 0.29 -0.39 0.02 0.00 -1.57 0.00 0.00 52.86 51.21 3ngb s ASN 72 Cb -0.10 -0.08 0.01 0.00 -0.02 0.00 0.00 41.25 41.06 3ngb s ASN 72 CO 0.21 0.01 -0.10 -0.22 -2.57 0.00 0.00 177.10 174.43 3ngb s LEU 73 N -0.96 1.62 -0.03 0.60 2.96 0.71 -1.68 118.68 121.91 3ngb s LEU 73 Ca 0.00 -0.24 -0.01 0.00 -0.22 0.00 0.00 54.13 53.67 3ngb s LEU 73 Cb -0.07 -0.68 0.03 0.00 0.50 0.00 0.00 46.19 45.97 3ngb s LEU 73 CO 0.01 0.03 0.03 0.28 -1.32 0.00 0.00 176.35 175.38 3ngb s THR 74 N 0.57 -0.04 -0.40 3.68 -1.32 -0.33 -1.11 115.64 116.68 3ngb s THR 74 Ca -0.11 0.26 -0.18 0.00 -1.21 0.00 0.00 61.69 60.46 3ngb s THR 74 Cb -0.14 -0.13 0.01 0.00 -1.51 0.00 0.00 72.50 70.74 3ngb s THR 74 CO 0.02 0.12 0.49 -0.63 -2.21 0.00 0.00 174.62 172.41 3ngb s ILE 75 N 1.40 5.03 0.54 5.08 1.09 -0.60 -1.94 121.20 131.79 3ngb s ILE 75 Ca -0.05 -0.10 0.40 0.00 -1.10 0.00 0.00 60.65 59.80 3ngb s ILE 75 Cb -0.13 -4.04 0.41 0.00 -1.06 0.00 0.00 42.46 37.65 3ngb s ILE 75 CO -0.03 -0.39 2.27 0.28 -0.10 0.00 0.00 174.94 176.96 3ngb h SER 76 N 8.69 0.00 -0.72 3.58 0.02 -1.84 -2.90 113.55 120.37 3ngb h SER 76 Ca -0.27 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.67 3ngb h SER 76 Cb 1.11 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.47 3ngb h SER 76 CO 0.80 0.01 -0.34 0.21 -1.14 0.00 0.00 176.83 176.38 3ngb s ASN 77 N -5.46 -1.10 0.13 3.07 2.47 -1.25 -4.60 114.94 108.20 3ngb s ASN 77 Ca -0.04 -0.67 -0.34 0.00 0.42 0.00 0.00 52.86 52.23 3ngb s ASN 77 Cb 0.13 1.42 -0.14 0.00 -1.45 0.00 0.00 41.25 41.20 3ngb s ASN 77 CO 0.47 -0.11 1.60 0.18 -3.72 0.00 0.00 177.10 175.51 3ngb n LEU 78 N 3.96 3.06 -4.86 3.21 4.32 -0.96 -4.79 117.00 120.94 3ngb n LEU 78 Ca 0.10 1.07 -0.22 0.00 -0.02 0.00 0.00 56.01 56.94 3ngb n LEU 78 Cb 0.59 -1.41 -0.03 0.00 -1.62 0.00 0.00 43.42 40.95 3ngb n LEU 78 CO -0.04 -0.30 -0.02 -1.61 -1.22 0.00 0.00 177.39 174.20 3ngb s GLU 79 N 1.19 2.43 0.65 3.23 2.02 -1.26 -2.26 118.70 124.70 3ngb s GLU 79 Ca 0.80 -1.67 0.37 0.00 0.02 0.00 0.00 54.97 54.50 3ngb s GLU 79 Cb -0.69 -2.27 2.06 0.00 0.10 0.00 0.00 34.13 33.33 3ngb s GLU 79 CO 0.40 -0.25 2.19 0.77 0.02 0.00 0.00 175.26 178.39 3ngb h SER 80 N 1.05 0.00 0.25 -0.19 0.02 -1.97 -0.96 113.55 111.75 3ngb h SER 80 Ca -0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 3ngb h SER 80 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 3ngb h SER 80 CO 0.59 0.00 -1.10 0.61 -1.14 0.00 0.00 176.83 175.79 3ngb n GLY 81 N -1.18 -1.12 0.01 -3.77 0.00 -1.26 -4.16 105.19 93.71 3ngb n GLY 81 Ca -0.02 -0.47 0.14 0.00 0.00 0.00 0.00 46.02 45.67 3ngb n GLY 81 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ngb n ASP 82 N -1.82 0.08 -4.72 1.61 8.00 -0.36 -4.83 116.55 114.50 3ngb n ASP 82 Ca 0.02 0.10 -0.42 0.00 0.71 0.00 0.00 54.79 55.20 3ngb n ASP 82 Cb 0.41 -0.33 -0.03 0.00 -0.02 0.00 0.00 41.12 41.15 3ngb n ASP 82 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3ngb s PHE 83 N -2.78 3.63 -3.93 1.24 0.08 -1.25 -4.93 117.98 110.04 3ngb s PHE 83 Ca 0.21 1.62 0.00 0.00 0.12 0.00 0.00 56.93 58.87 3ngb s PHE 83 Cb 0.20 -3.20 0.00 0.00 -0.57 0.00 0.00 43.02 39.45 3ngb s PHE 83 CO 0.51 -0.34 0.00 0.41 -0.10 0.00 0.00 175.22 175.70 3ngb n GLY 84 N 2.71 -0.90 3.62 4.36 0.00 -1.02 -4.73 105.19 109.24 3ngb n GLY 84 Ca 0.05 -1.07 -0.35 0.00 0.00 0.00 0.00 46.02 44.66 3ngb n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ngb s VAL 85 N -3.00 4.75 -0.11 1.61 0.11 -1.12 -0.95 120.40 121.68 3ngb s VAL 85 Ca 0.00 -0.05 -0.03 0.00 -2.93 0.00 0.00 61.98 58.97 3ngb s VAL 85 Cb 0.00 -3.14 -0.03 0.00 -1.53 0.00 0.00 36.38 31.67 3ngb s VAL 85 CO 0.00 0.45 0.02 -0.31 -3.33 0.00 0.00 175.10 171.93 3ngb s TYR 86 N 0.45 3.19 0.01 1.54 1.51 -0.63 -1.52 117.35 121.91 3ngb s TYR 86 Ca 0.03 0.13 0.08 0.00 -1.01 0.00 0.00 57.07 56.30 3ngb s TYR 86 Cb -0.13 -1.87 -0.03 0.00 -0.11 0.00 0.00 41.96 39.83 3ngb s TYR 86 CO 0.01 0.37 -0.24 0.71 -1.11 0.00 0.00 175.55 175.29 3ngb s TYR 87 N -0.53 2.40 0.13 2.71 2.02 -0.53 -1.50 117.35 122.03 3ngb s TYR 87 Ca 0.09 -0.37 0.03 0.00 -0.37 0.00 0.00 57.07 56.45 3ngb s TYR 87 Cb -0.12 -1.47 -0.04 0.00 -0.40 0.00 0.00 41.96 39.94 3ngb s TYR 87 CO 0.02 0.09 0.20 0.00 -1.57 0.00 0.00 175.55 174.30 3ngb s GLN 89 N -2.94 0.53 -0.17 0.00 0.74 -0.09 -0.15 119.66 117.58 3ngb s GLN 89 Ca 0.33 0.10 -0.05 0.00 0.05 0.00 0.00 55.36 55.79 3ngb s GLN 89 Cb -0.11 0.24 0.09 0.00 1.10 0.00 0.00 33.01 34.32 3ngb s GLN 89 CO 0.26 -0.12 0.33 -1.14 -0.55 0.00 0.00 175.29 174.07 3ngb s GLN 90 N -0.64 0.24 6.76 1.67 0.74 -0.32 -0.13 119.66 127.99 3ngb s GLN 90 Ca -0.07 0.78 0.00 0.00 0.05 0.00 0.00 55.36 56.12 3ngb s GLN 90 Cb -0.04 -0.05 0.00 0.00 1.10 0.00 0.00 33.01 34.02 3ngb s GLN 90 CO 0.02 -0.35 0.00 0.66 -0.55 0.00 0.00 175.29 175.07 3ngb n TYR 91 N 5.36 0.00 1.17 1.67 4.02 -1.26 -2.22 117.16 125.90 3ngb n TYR 91 Ca -0.07 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.90 3ngb n TYR 91 Cb 0.50 0.02 0.24 0.00 -0.02 0.00 0.00 39.34 40.08 3ngb n TYR 91 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 3ngb n GLU 96 N 14.00 1.66 -4.39 -0.72 0.00 -1.26 -4.87 120.64 125.06 3ngb n GLU 96 Ca 0.00 -1.01 -0.35 0.00 0.00 0.00 0.00 57.16 55.80 3ngb n GLU 96 Cb 0.00 -1.29 -0.10 0.00 0.00 0.00 0.00 31.44 30.05 3ngb n GLU 96 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 3ngb s PHE 97 N -1.69 3.14 0.30 -1.84 0.40 -0.94 -5.12 117.98 112.22 3ngb s PHE 97 Ca 0.25 0.15 0.11 0.00 -0.60 0.00 0.00 56.93 56.84 3ngb s PHE 97 Cb 0.13 -1.80 -0.05 0.00 0.51 0.00 0.00 43.02 41.81 3ngb s PHE 97 CO 0.19 0.43 -0.17 -0.06 0.70 0.00 0.00 175.22 176.30 3ngb s PHE 98 N -0.78 2.31 0.74 0.36 0.40 -1.26 -1.17 117.98 118.58 3ngb s PHE 98 Ca 0.12 -0.37 -0.09 0.00 -0.60 0.00 0.00 56.93 55.99 3ngb s PHE 98 Cb -0.11 -1.09 0.06 0.00 0.51 0.00 0.00 43.02 42.39 3ngb s PHE 98 CO 0.02 0.68 1.08 0.20 0.70 0.00 0.00 175.22 177.90 3ngb s GLY 99 N -3.53 1.64 0.05 4.36 0.00 0.79 -4.80 107.32 105.82 3ngb s GLY 99 Ca 0.31 -0.77 0.21 0.00 0.00 0.00 0.00 44.72 44.47 3ngb s GLY 99 CO 0.15 -0.34 1.68 0.61 0.00 0.00 0.00 173.10 175.20 3ngb n GLN 100 N -3.07 0.05 0.00 2.90 0.00 -1.26 -4.72 117.38 111.28 3ngb n GLN 100 Ca 0.08 0.18 0.00 0.00 0.00 0.00 0.00 57.00 57.26 3ngb n GLN 100 Cb 0.60 -1.57 0.00 0.00 0.00 0.00 0.00 30.24 29.27 3ngb n GLN 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3ngb n GLY 101 N 0.61 1.77 2.81 2.61 0.00 -1.26 -5.04 105.19 106.69 3ngb n GLY 101 Ca 0.05 -1.91 -0.15 0.00 0.00 0.00 0.00 46.02 44.01 3ngb n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ngb s THR 102 N -2.69 -0.43 -0.36 2.61 2.01 -0.56 -4.60 115.64 111.61 3ngb s THR 102 Ca 0.00 -0.19 -0.24 0.00 0.31 0.00 0.00 61.69 61.57 3ngb s THR 102 Cb 0.00 -0.79 0.01 0.00 0.01 0.00 0.00 72.50 71.73 3ngb s THR 102 CO 0.00 -0.24 0.85 -0.75 -0.69 0.00 0.00 174.62 173.79 3ngb s LYS 103 N 2.41 3.82 -0.17 4.92 2.20 -0.84 -1.60 119.74 130.48 3ngb s LYS 103 Ca 0.09 0.47 -0.15 0.00 -0.36 0.00 0.00 55.97 56.02 3ngb s LYS 103 Cb -0.15 -3.80 -0.04 0.00 -1.51 0.00 0.00 37.83 32.33 3ngb s LYS 103 CO -0.18 -0.87 0.36 0.14 -0.36 0.00 0.00 175.35 174.44 3ngb s VAL 104 N 3.25 5.25 0.02 4.02 -7.23 -0.12 0.15 120.40 125.74 3ngb s VAL 104 Ca 0.35 0.67 0.00 0.00 -1.81 0.00 0.00 61.98 61.19 3ngb s VAL 104 Cb -0.13 -3.70 -0.02 0.00 0.56 0.00 0.00 36.38 33.09 3ngb s VAL 104 CO 0.17 0.33 -0.03 0.00 -0.31 0.00 0.00 175.10 175.25 3ngb s GLN 105 N 0.82 0.35 0.46 4.82 -2.07 0.08 -2.42 119.66 121.70 3ngb s GLN 105 Ca 0.19 -0.66 -0.24 0.00 -1.82 0.00 0.00 55.36 52.83 3ngb s GLN 105 Cb -0.14 0.08 -0.09 0.00 -1.09 0.00 0.00 33.01 31.78 3ngb s GLN 105 CO 0.07 -0.05 1.24 1.33 -1.32 0.00 0.00 175.29 176.56 3ngb n VAL 106 N 1.49 2.86 -3.54 3.63 0.24 -1.26 -1.83 118.33 119.92 3ngb n VAL 106 Ca -0.23 -0.50 -0.25 0.00 -2.04 0.00 0.00 64.34 61.32 3ngb n VAL 106 Cb 0.55 -1.52 -0.15 0.00 -1.47 0.00 0.00 33.84 31.26 3ngb n VAL 106 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3ngb s ASP 107 N -0.67 2.56 -0.17 -1.34 3.68 0.96 -4.68 116.67 117.01 3ngb s ASP 107 Ca 0.64 -0.81 -0.29 0.00 2.13 0.00 0.00 52.55 54.22 3ngb s ASP 107 Cb -0.49 -0.10 -0.04 0.00 -1.45 0.00 0.00 42.92 40.84 3ngb s ASP 107 CO 0.55 -0.38 1.69 -0.63 0.13 0.00 0.00 175.17 176.54 3ngb s ILE 108 N 2.18 3.58 0.56 4.11 1.01 -1.26 -4.24 121.20 127.13 3ngb s ILE 108 Ca 0.06 0.66 -0.20 0.00 0.00 0.00 0.00 60.65 61.17 3ngb s ILE 108 Cb -0.16 -3.56 -0.05 0.00 0.01 0.00 0.00 42.46 38.71 3ngb s ILE 108 CO -0.22 -0.21 1.18 -0.54 0.00 0.00 0.00 174.94 175.15 3ngb s LYS 109 N 4.67 3.22 0.37 2.79 1.02 -1.26 -5.00 119.74 125.55 3ngb s LYS 109 Ca 0.75 1.75 -0.12 0.00 0.02 0.00 0.00 55.97 58.37 3ngb s LYS 109 Cb -0.28 -2.03 0.05 0.00 -0.52 0.00 0.00 37.83 35.05 3ngb s LYS 109 CO 0.30 -0.99 0.71 2.89 -0.92 0.00 0.00 175.35 177.34 3ngb n ARG 110 N -1.33 1.02 -2.19 1.68 1.85 -1.26 -5.11 116.66 111.32 3ngb n ARG 110 Ca 0.12 -2.20 -0.37 0.00 -1.00 0.00 0.00 57.85 54.40 3ngb n ARG 110 Cb 0.50 2.63 -0.00 0.00 -1.05 0.00 0.00 32.46 34.53 3ngb n ARG 110 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 3ngb s THR 111 N -2.25 2.96 0.12 8.89 -4.23 -1.26 -4.94 115.64 114.93 3ngb s THR 111 Ca 0.17 0.73 -0.31 0.00 -1.18 0.00 0.00 61.69 61.10 3ngb s THR 111 Cb -0.04 -3.37 -0.09 0.00 1.34 0.00 0.00 72.50 70.33 3ngb s THR 111 CO 0.13 -0.00 1.65 -0.69 -0.54 0.00 0.00 174.62 175.16 3ngb s VAL 112 N -1.50 2.76 0.05 2.29 1.01 -1.26 -4.87 120.40 118.88 3ngb s VAL 112 Ca 0.64 0.39 0.08 0.00 0.00 0.00 0.00 61.98 63.09 3ngb s VAL 112 Cb -0.31 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.80 3ngb s VAL 112 CO 0.37 0.01 -0.23 0.00 0.00 0.00 0.00 175.10 175.25 3ngb s ALA 113 N 2.01 2.00 0.04 5.51 0.00 -1.04 -4.97 121.76 125.30 3ngb s ALA 113 Ca 0.73 -1.16 -0.06 0.00 0.00 0.00 0.00 51.96 51.47 3ngb s ALA 113 Cb -0.43 -0.40 -0.05 0.00 0.00 0.00 0.00 23.12 22.24 3ngb s ALA 113 CO 0.32 0.46 0.30 0.00 0.00 0.00 0.00 175.76 176.84 3ngb s ALA 114 N -0.81 3.83 0.01 0.00 0.00 -1.26 -2.08 121.76 121.45 3ngb s ALA 114 Ca 0.10 -0.56 -0.30 0.00 0.00 0.00 0.00 51.96 51.19 3ngb s ALA 114 Cb -0.09 -2.09 -0.05 0.00 0.00 0.00 0.00 23.12 20.89 3ngb s ALA 114 CO 0.02 0.65 1.22 -2.14 0.00 0.00 0.00 175.76 175.51 3ngb s PRO 115 N -1.95 4.38 -1.17 0.00 0.02 -1.26 -4.55 135.00 130.47 3ngb s PRO 115 Ca 0.31 1.75 -0.16 0.00 0.02 0.00 0.00 61.00 62.92 3ngb s PRO 115 Cb -0.13 -3.46 0.14 0.00 0.02 0.00 0.00 34.50 31.07 3ngb s PRO 115 CO 0.18 -0.37 1.44 -1.54 -0.33 0.00 0.00 177.00 176.39 3ngb s SER 116 N 1.32 6.93 0.12 2.53 1.04 -1.09 -4.87 113.70 119.69 3ngb s SER 116 Ca 0.58 -2.67 -0.31 0.00 0.48 0.00 0.00 55.95 54.03 3ngb s SER 116 Cb -0.28 -2.44 -0.09 0.00 0.10 0.00 0.00 66.02 63.31 3ngb s SER 116 CO 0.26 -0.91 1.62 -0.69 0.98 0.00 0.00 173.24 174.50 3ngb s VAL 117 N 2.40 2.79 0.52 5.02 1.01 -1.26 -3.73 120.40 127.15 3ngb s VAL 117 Ca 0.43 0.43 0.02 0.00 0.00 0.00 0.00 61.98 62.86 3ngb s VAL 117 Cb -0.02 -3.28 -0.00 0.00 0.00 0.00 0.00 36.38 33.08 3ngb s VAL 117 CO -0.00 0.02 0.07 -0.36 0.00 0.00 0.00 175.10 174.82 3ngb s PHE 118 N 1.89 1.80 -0.14 5.22 0.08 0.79 -4.99 117.98 122.64 3ngb s PHE 118 Ca 0.72 -0.95 -0.24 0.00 0.12 0.00 0.00 56.93 56.59 3ngb s PHE 118 Cb -0.42 -1.66 0.06 0.00 -0.57 0.00 0.00 43.02 40.43 3ngb s PHE 118 CO 0.32 0.10 0.60 -1.50 -0.10 0.00 0.00 175.22 174.63 3ngb s ILE 119 N -2.87 0.01 -0.28 0.64 2.07 -1.26 -2.46 121.20 117.05 3ngb s ILE 119 Ca 0.10 -0.07 -0.02 0.00 -1.41 0.00 0.00 60.65 59.25 3ngb s ILE 119 Cb 0.01 -0.88 0.09 0.00 0.13 0.00 0.00 42.46 41.81 3ngb s ILE 119 CO 0.06 -0.04 0.08 -0.36 -1.91 0.00 0.00 174.94 172.77 3ngb s PHE 120 N -0.45 1.34 0.90 3.50 0.08 -0.64 -5.00 117.98 117.70 3ngb s PHE 120 Ca -0.06 -1.39 -0.10 0.00 0.12 0.00 0.00 56.93 55.50 3ngb s PHE 120 Cb -0.03 -1.42 0.14 0.00 -0.57 0.00 0.00 43.02 41.14 3ngb s PHE 120 CO 0.05 -0.80 1.15 -2.14 -0.10 0.00 0.00 175.22 173.37 3ngb s PRO 121 N 1.75 1.10 0.25 0.24 0.02 -1.26 -2.70 135.00 134.40 3ngb s PRO 121 Ca 0.07 1.54 -0.31 0.00 0.02 0.00 0.00 61.00 62.32 3ngb s PRO 121 Cb -0.17 -1.74 -0.13 0.00 0.02 0.00 0.00 34.50 32.48 3ngb s PRO 121 CO -0.23 -2.57 1.38 -2.30 -0.33 0.00 0.00 177.00 172.95 3ngb n PRO 122 N -4.18 2.02 -1.69 5.54 -0.02 -1.24 -4.90 135.00 130.53 3ngb n PRO 122 Ca 0.12 0.72 -0.32 0.00 -2.02 0.00 0.00 63.50 61.99 3ngb n PRO 122 Cb 0.52 -2.35 0.05 0.00 -0.02 0.00 0.00 33.50 31.69 3ngb n PRO 122 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3ngb s SER 123 N 0.18 5.23 0.00 2.55 1.04 -1.26 -4.92 113.70 116.52 3ngb s SER 123 Ca 0.66 1.83 0.21 0.00 0.48 0.00 0.00 55.95 59.13 3ngb s SER 123 Cb -0.64 -2.53 1.00 0.00 0.10 0.00 0.00 66.02 63.95 3ngb s SER 123 CO 0.52 -1.55 1.67 0.47 0.98 0.00 0.00 173.24 175.34 3ngb n ASP 124 N -2.69 0.00 0.06 7.02 10.43 -1.26 -2.60 116.55 127.50 3ngb n ASP 124 Ca 0.09 0.19 0.07 0.00 2.57 0.00 0.00 54.79 57.72 3ngb n ASP 124 Cb 0.53 -0.37 -0.06 0.00 1.84 0.00 0.00 41.12 43.05 3ngb n ASP 124 CO 0.00 0.00 0.00 1.21 -1.07 0.00 0.00 177.20 177.34 3ngb n GLU 125 N -1.37 0.62 -0.01 -1.24 2.13 -1.26 -4.04 120.64 115.47 3ngb n GLU 125 Ca 0.08 0.08 -0.16 0.00 0.66 0.00 0.00 57.16 57.83 3ngb n GLU 125 Cb 0.20 -1.75 -0.14 0.00 0.27 0.00 0.00 31.44 30.02 3ngb n GLU 125 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 3ngb n GLN 126 N -2.66 0.70 -0.13 5.31 7.27 -1.07 -4.13 117.38 122.67 3ngb n GLN 126 Ca -0.05 0.28 -0.06 0.00 0.07 0.00 0.00 57.00 57.24 3ngb n GLN 126 Cb 0.66 -1.75 0.03 0.00 2.41 0.00 0.00 30.24 31.59 3ngb n GLN 126 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 3ngb h LEU 127 N 0.04 0.26 -1.87 1.69 3.38 -1.67 -1.52 115.31 115.63 3ngb h LEU 127 Ca -0.36 0.03 0.11 0.00 0.09 0.00 0.00 57.88 57.74 3ngb h LEU 127 Cb 2.03 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 42.74 3ngb h LEU 127 CO 0.08 0.19 0.32 0.11 0.09 0.00 0.00 178.44 179.23 3ngb h LYS 128 N 0.39 0.14 -3.50 1.13 1.57 -1.74 -3.32 116.57 111.24 3ngb h LYS 128 Ca 0.18 -0.01 -0.70 0.00 -1.87 0.00 0.00 60.65 58.25 3ngb h LYS 128 Cb 0.11 -0.03 -0.35 0.00 0.08 0.00 0.00 32.23 32.04 3ngb h LYS 128 CO -0.14 0.09 -0.27 -1.54 -0.57 0.00 0.00 179.45 177.02 3ngb s SER 129 N -6.39 5.50 1.19 0.86 1.04 -0.57 -5.04 113.70 110.29 3ngb s SER 129 Ca -0.06 -3.11 0.00 0.00 0.48 0.00 0.00 55.95 53.27 3ngb s SER 129 Cb 0.19 -1.88 0.00 0.00 0.10 0.00 0.00 66.02 64.43 3ngb s SER 129 CO 0.73 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 175.23 3ngb n GLY 130 N 3.16 1.35 0.00 7.32 0.00 -1.25 -4.88 105.19 110.89 3ngb n GLY 130 Ca 0.12 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.61 3ngb n GLY 130 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ngb n THR 131 N 0.00 0.00 -3.66 2.61 -2.24 -1.26 -3.47 114.28 106.25 3ngb n THR 131 Ca 0.00 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.71 3ngb n THR 131 Cb 0.00 -1.96 -0.08 0.00 -2.10 0.00 0.00 70.33 66.19 3ngb n THR 131 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ngb s ALA 132 N -3.96 -1.37 0.11 6.98 0.00 0.42 -4.14 121.76 119.81 3ngb s ALA 132 Ca 0.00 1.75 -0.01 0.00 0.00 0.00 0.00 51.96 53.70 3ngb s ALA 132 Cb 0.00 -1.35 -0.04 0.00 0.00 0.00 0.00 23.12 21.73 3ngb s ALA 132 CO 0.00 -0.67 0.29 -1.12 0.00 0.00 0.00 175.76 174.26 3ngb s SER 133 N 2.36 6.39 -0.27 0.00 0.01 -1.26 -2.05 113.70 118.89 3ngb s SER 133 Ca -0.05 0.36 0.00 0.00 1.31 0.00 0.00 55.95 57.57 3ngb s SER 133 Cb -0.11 -1.99 0.08 0.00 0.21 0.00 0.00 66.02 64.21 3ngb s SER 133 CO -0.15 0.09 0.02 -0.69 0.41 0.00 0.00 173.24 172.93 3ngb s VAL 134 N -1.63 1.28 0.24 3.43 1.01 0.97 -3.61 120.40 122.08 3ngb s VAL 134 Ca 0.37 -1.34 -0.20 0.00 0.00 0.00 0.00 61.98 60.82 3ngb s VAL 134 Cb -0.12 -1.77 -0.08 0.00 0.00 0.00 0.00 36.38 34.41 3ngb s VAL 134 CO 0.27 -0.37 0.74 -0.69 0.00 0.00 0.00 175.10 175.05 3ngb s VAL 135 N 1.47 4.56 -0.25 2.92 1.01 -1.10 -1.23 120.40 127.78 3ngb s VAL 135 Ca 0.02 1.28 -0.02 0.00 0.00 0.00 0.00 61.98 63.27 3ngb s VAL 135 Cb -0.18 -3.84 0.08 0.00 0.00 0.00 0.00 36.38 32.44 3ngb s VAL 135 CO -0.13 0.16 0.06 0.00 0.00 0.00 0.00 175.10 175.19 3ngb s LEU 137 N 1.73 4.45 -0.30 0.00 2.96 -1.03 -1.89 118.68 124.61 3ngb s LEU 137 Ca 0.03 0.98 -0.00 0.00 -0.22 0.00 0.00 54.13 54.92 3ngb s LEU 137 Cb -0.17 -2.64 0.09 0.00 0.50 0.00 0.00 46.19 43.97 3ngb s LEU 137 CO -0.16 0.27 0.07 -0.76 -1.32 0.00 0.00 176.35 174.46 3ngb s LEU 138 N -0.84 2.49 0.11 -0.68 1.02 -0.09 -0.15 118.68 120.54 3ngb s LEU 138 Ca 0.25 -1.60 -0.08 0.00 0.02 0.00 0.00 54.13 52.71 3ngb s LEU 138 Cb -0.17 -0.96 -0.06 0.00 0.02 0.00 0.00 46.19 45.02 3ngb s LEU 138 CO 0.14 -0.39 0.41 0.21 0.02 0.00 0.00 176.35 176.74 3ngb s ASN 139 N 1.53 6.60 0.00 2.29 3.84 -1.24 -1.89 114.94 126.06 3ngb s ASN 139 Ca 0.08 0.75 0.00 0.00 0.21 0.00 0.00 52.86 53.90 3ngb s ASN 139 Cb -0.18 -2.16 0.00 0.00 -0.55 0.00 0.00 41.25 38.37 3ngb s ASN 139 CO -0.20 0.12 0.00 0.59 -2.79 0.00 0.00 177.10 174.81 3ngb n ASN 140 N 0.58 -6.11 -3.48 -4.21 4.13 -1.16 -2.66 115.26 102.36 3ngb n ASN 140 Ca -0.06 0.54 -0.14 0.00 1.68 0.00 0.00 54.58 56.60 3ngb n ASN 140 Cb 0.52 -1.36 -0.06 0.00 -1.54 0.00 0.00 39.78 37.34 3ngb n ASN 140 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 3ngb s PHE 141 N -0.53 1.11 -0.29 3.10 -0.71 -1.02 -4.20 117.98 115.44 3ngb s PHE 141 Ca 0.00 -1.30 -0.24 0.00 -1.04 0.00 0.00 56.93 54.35 3ngb s PHE 141 Cb 0.00 -0.22 0.17 0.00 -1.21 0.00 0.00 43.02 41.76 3ngb s PHE 141 CO 0.00 -1.01 1.32 -0.47 -1.34 0.00 0.00 175.22 173.72 3ngb s TYR 142 N -3.38 -0.17 0.65 3.49 5.04 -0.88 -1.66 117.35 120.44 3ngb s TYR 142 Ca 0.32 0.41 -0.11 0.00 -2.44 0.00 0.00 57.07 55.25 3ngb s TYR 142 Cb 0.01 0.43 0.16 0.00 0.35 0.00 0.00 41.96 42.91 3ngb s TYR 142 CO 0.19 -0.08 0.71 -2.30 -1.34 0.00 0.00 175.55 172.72 3ngb n PRO 143 N 1.85 -1.57 0.24 4.97 -0.02 -1.26 -2.51 135.00 136.70 3ngb n PRO 143 Ca -0.11 -1.11 0.08 0.00 -2.02 0.00 0.00 63.50 60.34 3ngb n PRO 143 Cb 0.57 -0.89 0.59 0.00 -0.02 0.00 0.00 33.50 33.75 3ngb n PRO 143 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3ngb h ARG 144 N 0.00 0.00 -5.71 -0.52 2.43 -1.95 -3.42 114.38 105.20 3ngb h ARG 144 Ca -0.25 0.00 -0.50 0.00 -0.81 0.00 0.00 59.98 58.42 3ngb h ARG 144 Cb 0.72 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 3ngb h ARG 144 CO 0.17 0.18 1.60 0.39 -1.51 0.00 0.00 179.97 180.79 3ngb n GLU 145 N -3.97 1.29 -4.30 0.20 4.71 -1.26 -4.92 120.64 112.39 3ngb n GLU 145 Ca -0.02 0.15 -0.16 0.00 -0.01 0.00 0.00 57.16 57.12 3ngb n GLU 145 Cb 0.26 -3.35 -0.10 0.00 -1.01 0.00 0.00 31.44 27.25 3ngb n GLU 145 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3ngb s ALA 146 N 11.01 1.66 -0.34 0.62 0.00 -1.26 -4.50 121.76 128.95 3ngb s ALA 146 Ca 1.00 -1.78 0.01 0.00 0.00 0.00 0.00 51.96 51.19 3ngb s ALA 146 Cb -0.25 0.77 0.14 0.00 0.00 0.00 0.00 23.12 23.78 3ngb s ALA 146 CO 0.29 -0.37 0.28 0.21 0.00 0.00 0.00 175.76 176.18 3ngb s LYS 147 N -3.96 0.49 0.20 0.00 2.20 -1.03 -5.02 119.74 112.62 3ngb s LYS 147 Ca 0.32 -0.79 -0.25 0.00 -0.36 0.00 0.00 55.97 54.88 3ngb s LYS 147 Cb 0.07 -0.92 -0.08 0.00 -1.51 0.00 0.00 37.83 35.38 3ngb s LYS 147 CO 0.10 -1.14 0.81 0.08 -0.36 0.00 0.00 175.35 174.84 3ngb s VAL 148 N 1.61 4.33 -0.12 4.02 1.01 -1.26 -2.80 120.40 127.20 3ngb s VAL 148 Ca 0.15 1.71 -0.04 0.00 0.00 0.00 0.00 61.98 63.80 3ngb s VAL 148 Cb -0.17 -4.11 0.06 0.00 0.00 0.00 0.00 36.38 32.16 3ngb s VAL 148 CO -0.13 0.43 0.24 -1.58 0.00 0.00 0.00 175.10 174.07 3ngb s GLN 149 N -1.37 0.12 0.06 2.72 0.74 -0.72 -5.02 119.66 116.18 3ngb s GLN 149 Ca 0.39 0.70 -0.19 0.00 0.05 0.00 0.00 55.36 56.31 3ngb s GLN 149 Cb -0.22 -0.10 -0.06 0.00 1.10 0.00 0.00 33.01 33.72 3ngb s GLN 149 CO 0.26 -0.30 0.57 -1.58 -0.55 0.00 0.00 175.29 173.69 3ngb s TRP 150 N 2.39 3.79 -0.17 1.67 0.52 -1.26 -1.56 118.94 124.32 3ngb s TRP 150 Ca 0.02 1.25 -0.04 0.00 0.02 0.00 0.00 56.10 57.35 3ngb s TRP 150 Cb -0.12 -2.51 0.06 0.00 -1.15 0.00 0.00 33.47 29.75 3ngb s TRP 150 CO -0.08 0.55 0.06 0.15 0.02 0.00 0.00 176.95 177.66 3ngb s LYS 151 N -0.96 0.30 -0.38 4.98 1.02 -1.20 -1.31 119.74 122.19 3ngb s LYS 151 Ca 0.29 -0.17 -0.14 0.00 0.02 0.00 0.00 55.97 55.97 3ngb s LYS 151 Cb -0.19 -1.81 0.00 0.00 -0.52 0.00 0.00 37.83 35.31 3ngb s LYS 151 CO 0.18 -0.62 0.27 0.08 -0.92 0.00 0.00 175.35 174.35 3ngb s VAL 152 N 2.03 5.27 -1.15 3.17 1.01 -0.80 -0.37 120.40 129.56 3ngb s VAL 152 Ca 0.01 -0.44 -0.10 0.00 0.00 0.00 0.00 61.98 61.45 3ngb s VAL 152 Cb -0.16 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 3ngb s VAL 152 CO -0.08 -0.17 0.83 0.47 0.00 0.00 0.00 175.10 176.15 3ngb n ASP 153 N 5.14 -4.62 -1.40 3.32 8.00 0.24 -1.96 116.55 125.26 3ngb n ASP 153 Ca -0.12 -0.84 -0.17 0.00 0.71 0.00 0.00 54.79 54.37 3ngb n ASP 153 Cb 0.48 -4.27 -0.07 0.00 -0.02 0.00 0.00 41.12 37.24 3ngb n ASP 153 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3ngb n ASN 154 N -2.98 -5.02 -4.11 -2.24 3.02 -1.26 -4.93 115.26 97.73 3ngb n ASN 154 Ca -0.14 0.42 -0.34 0.00 -0.03 0.00 0.00 54.58 54.49 3ngb n ASN 154 Cb 0.63 -4.32 -0.14 0.00 -0.61 0.00 0.00 39.78 35.34 3ngb n ASN 154 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ngb s ALA 155 N -2.44 2.90 -0.27 5.41 0.00 -0.83 -5.06 121.76 121.47 3ngb s ALA 155 Ca 0.00 -2.16 -0.36 0.00 0.00 0.00 0.00 51.96 49.44 3ngb s ALA 155 Cb 0.00 -2.03 -0.12 0.00 0.00 0.00 0.00 23.12 20.97 3ngb s ALA 155 CO 0.00 -1.50 2.00 -0.11 0.00 0.00 0.00 175.76 176.15 3ngb n LEU 156 N 4.50 2.53 -4.87 0.00 7.94 -1.26 -1.90 117.00 123.94 3ngb n LEU 156 Ca -0.06 0.71 -0.31 0.00 -1.11 0.00 0.00 56.01 55.24 3ngb n LEU 156 Cb 0.42 -1.26 -0.05 0.00 0.53 0.00 0.00 43.42 43.06 3ngb n LEU 156 CO 0.26 -0.49 0.29 -1.58 -1.11 0.00 0.00 177.39 174.77 3ngb s GLN 157 N 5.04 3.81 -0.19 1.96 2.00 -0.42 -4.95 119.66 126.90 3ngb s GLN 157 Ca 1.03 0.33 -0.27 0.00 -2.00 0.00 0.00 55.36 54.45 3ngb s GLN 157 Cb -0.87 -2.56 0.07 0.00 0.80 0.00 0.00 33.01 30.45 3ngb s GLN 157 CO 0.54 0.21 0.70 -1.54 -0.50 0.00 0.00 175.29 174.69 3ngb s SER 158 N -2.63 -0.71 0.00 6.67 1.04 -1.26 -4.64 113.70 112.17 3ngb s SER 158 Ca 0.49 1.16 0.00 0.00 0.48 0.00 0.00 55.95 58.08 3ngb s SER 158 Cb -0.11 1.11 0.00 0.00 0.10 0.00 0.00 66.02 67.13 3ngb s SER 158 CO 0.24 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.69 3ngb n GLY 159 N 2.04 0.71 1.01 7.32 0.00 -1.26 -4.91 105.19 110.10 3ngb n GLY 159 Ca -0.16 -0.03 0.02 0.00 0.00 0.00 0.00 46.02 45.85 3ngb n GLY 159 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ngb n ASN 160 N 0.05 0.47 -3.92 1.61 2.04 -1.26 -5.09 115.26 109.16 3ngb n ASN 160 Ca 0.00 -1.97 -0.10 0.00 -0.44 0.00 0.00 54.58 52.06 3ngb n ASN 160 Cb 0.00 -0.23 -0.12 0.00 -2.53 0.00 0.00 39.78 36.90 3ngb n ASN 160 CO 0.00 0.00 0.00 -0.94 -0.44 0.00 0.00 177.26 175.88 3ngb s SER 161 N -1.47 0.10 -0.05 0.53 1.04 -1.26 -1.37 113.70 111.22 3ngb s SER 161 Ca 0.17 -0.24 -0.01 0.00 0.48 0.00 0.00 55.95 56.35 3ngb s SER 161 Cb 0.19 0.12 0.03 0.00 0.10 0.00 0.00 66.02 66.46 3ngb s SER 161 CO -0.08 -0.22 0.03 -1.10 0.98 0.00 0.00 173.24 172.85 3ngb s GLN 162 N -0.94 0.18 0.84 4.02 -0.21 -0.96 -4.96 119.66 117.62 3ngb s GLN 162 Ca -0.10 0.24 -0.12 0.00 0.02 0.00 0.00 55.36 55.40 3ngb s GLN 162 Cb -0.06 -0.62 0.10 0.00 1.00 0.00 0.00 33.01 33.43 3ngb s GLN 162 CO -0.00 -0.28 1.19 -1.21 -2.12 0.00 0.00 175.29 172.86 3ngb s GLU 163 N 1.87 1.69 -0.30 2.91 2.02 -1.26 -2.22 118.70 123.40 3ngb s GLU 163 Ca 0.02 0.09 -0.10 0.00 0.02 0.00 0.00 54.97 55.00 3ngb s GLU 163 Cb -0.12 -1.92 0.15 0.00 0.10 0.00 0.00 34.13 32.34 3ngb s GLU 163 CO -0.03 -1.79 0.77 0.45 0.02 0.00 0.00 175.26 174.68 3ngb s SER 164 N -4.52 -0.98 -0.01 -0.19 0.15 -0.86 -4.94 113.70 102.35 3ngb s SER 164 Ca 0.63 1.17 0.04 0.00 0.70 0.00 0.00 55.95 58.49 3ngb s SER 164 Cb -0.11 2.04 -0.03 0.00 -1.71 0.00 0.00 66.02 66.21 3ngb s SER 164 CO 0.50 -0.19 -0.14 -0.69 1.20 0.00 0.00 173.24 173.93 3ngb s VAL 165 N 2.76 3.11 0.74 4.45 1.01 -1.26 -1.28 120.40 129.94 3ngb s VAL 165 Ca -0.01 -0.86 -0.08 0.00 0.00 0.00 0.00 61.98 61.03 3ngb s VAL 165 Cb -0.11 -2.27 0.07 0.00 0.00 0.00 0.00 36.38 34.07 3ngb s VAL 165 CO -0.18 0.48 1.07 0.42 0.00 0.00 0.00 175.10 176.88 3ngb s THR 166 N -0.84 2.19 0.63 3.92 -4.23 -0.57 -4.99 115.64 111.75 3ngb s THR 166 Ca 0.14 -0.18 -0.12 0.00 -1.18 0.00 0.00 61.69 60.34 3ngb s THR 166 Cb -0.11 -3.00 -0.02 0.00 1.34 0.00 0.00 72.50 70.71 3ngb s THR 166 CO 0.03 -0.00 1.04 -1.61 -0.54 0.00 0.00 174.62 173.54 3ngb s GLU 167 N -5.35 3.31 -0.30 3.99 0.41 -1.26 -4.54 118.70 114.96 3ngb s GLU 167 Ca 0.61 0.94 -0.28 0.00 -0.41 0.00 0.00 54.97 55.83 3ngb s GLU 167 Cb -0.11 -2.04 -0.06 0.00 -1.78 0.00 0.00 34.13 30.14 3ngb s GLU 167 CO 0.46 -0.80 2.28 0.94 -0.49 0.00 0.00 175.26 177.65 3ngb n GLN 168 N -2.64 1.69 -1.55 1.61 7.27 -1.26 -4.77 117.38 117.73 3ngb n GLN 168 Ca 0.07 0.38 -0.50 0.00 0.07 0.00 0.00 57.00 57.02 3ngb n GLN 168 Cb 0.54 -3.26 -0.05 0.00 2.41 0.00 0.00 30.24 29.88 3ngb n GLN 168 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 3ngb n ASP 169 N 12.77 0.85 0.01 1.69 4.64 -0.88 -4.83 116.55 130.80 3ngb n ASP 169 Ca 0.32 1.14 0.10 0.00 -1.38 0.00 0.00 54.79 54.98 3ngb n ASP 169 Cb 0.46 -1.14 0.45 0.00 -1.04 0.00 0.00 41.12 39.85 3ngb n ASP 169 CO 0.00 0.00 0.00 -1.54 -0.82 0.00 0.00 177.20 174.84 3ngb n SER 170 N 1.95 0.05 0.00 1.67 3.41 -1.26 -1.85 113.62 117.58 3ngb n SER 170 Ca 0.16 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.28 3ngb n SER 170 Cb 0.22 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 3ngb n SER 170 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3ngb n LYS 171 N -1.55 0.00 -0.17 4.33 5.02 -1.26 -4.68 118.16 119.85 3ngb n LYS 171 Ca 0.05 0.12 0.11 0.00 -2.02 0.00 0.00 58.31 56.57 3ngb n LYS 171 Cb 0.25 -0.57 0.27 0.00 -0.02 0.00 0.00 35.03 34.96 3ngb n LYS 171 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3ngb n ASP 172 N -2.19 2.76 -2.87 4.39 5.68 -1.26 -4.95 116.55 118.12 3ngb n ASP 172 Ca 0.00 -1.91 -0.20 0.00 -0.50 0.00 0.00 54.79 52.19 3ngb n ASP 172 Cb 0.00 -0.23 0.01 0.00 -1.14 0.00 0.00 41.12 39.76 3ngb n ASP 172 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3ngb n SER 173 N 1.03 -4.81 -4.59 -1.12 7.64 -0.77 -4.97 113.62 106.03 3ngb n SER 173 Ca 0.18 -0.14 -0.26 0.00 1.01 0.00 0.00 58.87 59.66 3ngb n SER 173 Cb 0.48 -3.97 -0.09 0.00 -1.01 0.00 0.00 64.21 59.63 3ngb n SER 173 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3ngb s THR 174 N -2.93 3.25 0.42 0.44 -4.23 -1.26 -4.76 115.64 106.57 3ngb s THR 174 Ca 0.20 -1.74 0.08 0.00 -1.18 0.00 0.00 61.69 59.05 3ngb s THR 174 Cb -0.10 -2.65 0.00 0.00 1.34 0.00 0.00 72.50 71.10 3ngb s THR 174 CO 0.25 -0.19 0.51 -0.31 -0.54 0.00 0.00 174.62 174.34 3ngb s TYR 175 N -1.89 2.72 -0.08 3.99 2.02 -0.66 -2.07 117.35 121.38 3ngb s TYR 175 Ca 0.27 -0.45 -0.04 0.00 -0.37 0.00 0.00 57.07 56.48 3ngb s TYR 175 Cb -0.08 -2.30 0.04 0.00 -0.40 0.00 0.00 41.96 39.22 3ngb s TYR 175 CO 0.16 -0.34 0.18 -1.12 -1.57 0.00 0.00 175.55 172.87 3ngb s SER 176 N -4.28 -0.16 0.07 2.29 0.01 -1.26 -2.45 113.70 107.92 3ngb s SER 176 Ca 0.53 0.38 0.09 0.00 1.31 0.00 0.00 55.95 58.25 3ngb s SER 176 Cb -0.07 0.26 -0.03 0.00 0.21 0.00 0.00 66.02 66.39 3ngb s SER 176 CO 0.31 -0.15 -0.25 -0.22 0.41 0.00 0.00 173.24 173.34 3ngb s LEU 177 N 1.20 2.30 -0.18 2.44 0.20 -0.79 -1.51 118.68 122.34 3ngb s LEU 177 Ca -0.09 -0.60 -0.03 0.00 0.69 0.00 0.00 54.13 54.10 3ngb s LEU 177 Cb -0.11 -1.32 0.06 0.00 -0.43 0.00 0.00 46.19 44.38 3ngb s LEU 177 CO -0.07 0.24 0.04 -0.94 -0.29 0.00 0.00 176.35 175.32 3ngb s SER 178 N -1.50 2.69 -0.24 3.68 1.04 -0.40 -0.92 113.70 118.04 3ngb s SER 178 Ca 0.13 -0.71 -0.12 0.00 0.48 0.00 0.00 55.95 55.73 3ngb s SER 178 Cb -0.10 -0.55 -0.05 0.00 0.10 0.00 0.00 66.02 65.43 3ngb s SER 178 CO 0.04 -0.29 0.25 -0.55 0.98 0.00 0.00 173.24 173.66 3ngb s SER 179 N 1.90 6.18 -0.31 7.02 0.15 -0.79 -2.02 113.70 125.83 3ngb s SER 179 Ca 0.00 0.20 -0.06 0.00 0.70 0.00 0.00 55.95 56.79 3ngb s SER 179 Cb -0.16 -2.15 0.03 0.00 -1.71 0.00 0.00 66.02 62.02 3ngb s SER 179 CO -0.08 -0.03 0.07 -0.89 1.20 0.00 0.00 173.24 173.51 3ngb s THR 180 N 1.41 3.70 -0.29 6.45 2.01 -0.94 -1.16 115.64 126.83 3ngb s THR 180 Ca 0.11 -0.95 -0.20 0.00 0.31 0.00 0.00 61.69 60.96 3ngb s THR 180 Cb -0.15 -3.00 -0.01 0.00 0.01 0.00 0.00 72.50 69.35 3ngb s THR 180 CO 0.07 -0.02 0.62 -0.22 -0.69 0.00 0.00 174.62 174.38 3ngb s LEU 181 N 1.42 4.11 -0.16 4.42 1.98 -0.36 -2.26 118.68 127.83 3ngb s LEU 181 Ca 0.00 0.52 -0.03 0.00 -2.89 0.00 0.00 54.13 51.73 3ngb s LEU 181 Cb -0.18 -2.81 -0.02 0.00 0.66 0.00 0.00 46.19 43.84 3ngb s LEU 181 CO 0.02 -0.43 -0.07 -0.89 -1.89 0.00 0.00 176.35 173.09 3ngb s THR 182 N 2.55 3.47 -0.03 3.68 2.01 -0.47 -0.02 115.64 126.83 3ngb s THR 182 Ca 0.25 -0.50 -0.10 0.00 0.31 0.00 0.00 61.69 61.65 3ngb s THR 182 Cb -0.15 -2.52 0.01 0.00 0.01 0.00 0.00 72.50 69.86 3ngb s THR 182 CO 0.11 0.48 0.22 -0.76 -0.69 0.00 0.00 174.62 173.98 3ngb s LEU 183 N 0.66 1.21 0.71 4.42 1.43 -0.87 -4.84 118.68 121.39 3ngb s LEU 183 Ca -0.04 0.06 -0.15 0.00 -1.03 0.00 0.00 54.13 52.97 3ngb s LEU 183 Cb -0.15 0.91 0.03 0.00 0.03 0.00 0.00 46.19 47.01 3ngb s LEU 183 CO 0.02 -0.32 1.17 -0.94 0.23 0.00 0.00 176.35 176.51 3ngb s SER 184 N -0.99 4.47 0.35 2.29 1.04 -1.26 -0.44 113.70 119.16 3ngb s SER 184 Ca -0.11 2.22 0.09 0.00 0.48 0.00 0.00 55.95 58.63 3ngb s SER 184 Cb -0.05 -2.57 0.81 0.00 0.10 0.00 0.00 66.02 64.30 3ngb s SER 184 CO 0.02 -2.07 1.86 0.50 0.98 0.00 0.00 173.24 174.53 3ngb h LYS 185 N -0.25 0.68 -0.72 4.02 3.64 -1.79 0.47 116.57 122.62 3ngb h LYS 185 Ca -0.47 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 58.84 3ngb h LYS 185 Cb 1.28 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.91 3ngb h LYS 185 CO 0.51 0.45 0.35 0.00 -2.27 0.00 0.00 179.45 178.49 3ngb h ALA 186 N 1.60 1.27 0.00 5.00 0.00 -1.90 -2.47 119.26 122.75 3ngb h ALA 186 Ca 0.46 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 55.08 3ngb h ALA 186 Cb 0.73 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3ngb h ALA 186 CO -0.21 0.57 -0.69 -0.44 0.00 0.00 0.00 179.25 178.47 3ngb h ASP 187 N 1.02 0.00 0.62 0.00 3.45 -1.34 -3.22 116.42 116.96 3ngb h ASP 187 Ca 0.25 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.71 3ngb h ASP 187 Cb 0.09 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.86 3ngb h ASP 187 CO -0.03 0.69 0.00 0.00 -1.57 0.00 0.00 179.24 178.33 3ngb n TYR 188 N -3.37 0.00 -0.06 4.55 9.36 -0.15 -3.73 117.16 123.76 3ngb n TYR 188 Ca 0.01 0.00 -0.19 0.00 3.32 0.00 0.00 57.90 61.03 3ngb n TYR 188 Cb 0.78 -0.35 -0.13 0.00 -0.63 0.00 0.00 39.34 39.00 3ngb n TYR 188 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 3ngb h GLU 189 N 0.00 0.07 -1.43 2.98 4.39 -1.51 -3.38 114.58 115.70 3ngb h GLU 189 Ca 0.00 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.57 3ngb h GLU 189 Cb 0.31 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 3ngb h GLU 189 CO 0.00 1.06 0.00 1.63 -1.16 0.00 0.00 179.01 180.54 3ngb n LYS 190 N -4.33 0.88 -3.70 2.33 5.02 -1.24 -4.74 118.16 112.36 3ngb n LYS 190 Ca -0.23 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 55.94 3ngb n LYS 190 Cb 0.69 -1.06 -0.06 0.00 -0.02 0.00 0.00 35.03 34.58 3ngb n LYS 190 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3ngb s HIS 191 N 0.16 -0.16 0.08 2.13 3.76 -1.26 -5.10 115.29 114.90 3ngb s HIS 191 Ca 0.00 -0.00 -0.01 0.00 -0.15 0.00 0.00 55.06 54.90 3ngb s HIS 191 Cb 0.00 0.16 -0.00 0.00 1.11 0.00 0.00 32.58 33.85 3ngb s HIS 191 CO 0.00 -0.57 -0.03 1.63 -0.85 0.00 0.00 174.74 174.92 3ngb n LYS 192 N 0.33 0.04 -2.79 1.40 5.02 -1.26 -4.63 118.16 116.26 3ngb n LYS 192 Ca -0.18 0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.71 3ngb n LYS 192 Cb 0.61 -0.57 -0.03 0.00 -0.02 0.00 0.00 35.03 35.01 3ngb n LYS 192 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3ngb s VAL 193 N -2.07 4.87 -0.35 -0.18 1.01 -1.26 -1.32 120.40 121.11 3ngb s VAL 193 Ca -0.02 1.87 0.03 0.00 0.00 0.00 0.00 61.98 63.85 3ngb s VAL 193 Cb 0.00 -4.24 0.10 0.00 0.00 0.00 0.00 36.38 32.25 3ngb s VAL 193 CO 0.03 0.10 0.09 -0.31 0.00 0.00 0.00 175.10 175.01 3ngb s TYR 194 N 1.53 3.04 0.60 5.22 1.51 0.26 -0.59 117.35 128.91 3ngb s TYR 194 Ca 0.46 -2.63 -0.02 0.00 -1.01 0.00 0.00 57.07 53.87 3ngb s TYR 194 Cb -0.19 -2.52 0.04 0.00 -0.11 0.00 0.00 41.96 39.18 3ngb s TYR 194 CO 0.20 -0.90 0.86 0.00 -1.11 0.00 0.00 175.55 174.60 3ngb s ALA 195 N 0.98 3.57 -0.47 3.71 0.00 0.50 -2.34 121.76 127.72 3ngb s ALA 195 Ca 0.11 -1.11 0.06 0.00 0.00 0.00 0.00 51.96 51.03 3ngb s ALA 195 Cb -0.19 -2.31 0.24 0.00 0.00 0.00 0.00 23.12 20.85 3ngb s ALA 195 CO -0.12 -0.93 0.80 0.00 0.00 0.00 0.00 175.76 175.52 3ngb s GLU 197 N 0.32 4.30 -0.10 0.00 2.12 -0.60 -3.39 118.70 121.35 3ngb s GLU 197 Ca 0.33 2.00 0.03 0.00 0.36 0.00 0.00 54.97 57.69 3ngb s GLU 197 Cb 0.21 -3.47 -0.00 0.00 0.26 0.00 0.00 34.13 31.13 3ngb s GLU 197 CO -0.21 -0.52 -0.22 0.08 -0.54 0.00 0.00 175.26 173.84 3ngb s VAL 198 N 1.95 2.24 -0.10 3.70 1.01 -0.05 -1.76 120.40 127.38 3ngb s VAL 198 Ca 0.64 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.70 3ngb s VAL 198 Cb -0.33 -1.87 -0.00 0.00 0.00 0.00 0.00 36.38 34.18 3ngb s VAL 198 CO 0.28 0.55 -0.23 0.42 0.00 0.00 0.00 175.10 176.13 3ngb s THR 199 N 0.32 2.20 0.12 3.92 -4.23 -1.12 -1.84 115.64 115.00 3ngb s THR 199 Ca -0.17 -0.97 -0.07 0.00 -1.18 0.00 0.00 61.69 59.30 3ngb s THR 199 Cb -0.17 -1.85 -0.01 0.00 1.34 0.00 0.00 72.50 71.81 3ngb s THR 199 CO 0.08 0.56 0.18 -2.28 -0.54 0.00 0.00 174.62 172.62 3ngb s HIS 200 N 0.30 0.40 0.33 3.99 2.46 -1.26 -2.45 115.29 119.06 3ngb s HIS 200 Ca -0.17 -0.81 0.07 0.00 0.47 0.00 0.00 55.06 54.62 3ngb s HIS 200 Cb -0.17 -0.17 0.57 0.00 -0.13 0.00 0.00 32.58 32.68 3ngb s HIS 200 CO 0.08 -0.59 1.79 0.37 -2.47 0.00 0.00 174.74 173.92 3ngb h GLN 201 N 2.74 0.29 -0.25 2.88 4.15 -1.88 -2.56 115.11 120.48 3ngb h GLN 201 Ca -0.33 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 58.98 3ngb h GLN 201 Cb 1.20 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.87 3ngb h GLN 201 CO 0.55 0.54 0.00 0.41 -1.93 0.00 0.00 178.83 178.40 3ngb n GLY 202 N -0.49 0.46 3.67 2.39 0.00 -1.26 -4.86 105.19 105.11 3ngb n GLY 202 Ca -0.01 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.26 3ngb n GLY 202 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ngb s LEU 203 N -1.31 4.03 0.04 0.99 1.43 -0.96 -4.67 118.68 118.22 3ngb s LEU 203 Ca 0.28 0.14 -0.33 0.00 -1.03 0.00 0.00 54.13 53.20 3ngb s LEU 203 Cb 0.15 -2.04 -0.18 0.00 0.03 0.00 0.00 46.19 44.15 3ngb s LEU 203 CO 0.22 0.15 1.40 0.08 0.23 0.00 0.00 176.35 178.43 3ngb h ARG 204 N 6.87 -1.05 -5.02 1.70 0.11 -1.89 -3.45 114.38 111.65 3ngb h ARG 204 Ca -0.39 0.07 -0.51 0.00 0.10 0.00 0.00 59.98 59.25 3ngb h ARG 204 Cb 1.16 0.24 -0.31 0.00 1.11 0.00 0.00 29.97 32.17 3ngb h ARG 204 CO 0.72 -0.69 -0.82 -1.54 0.10 0.00 0.00 179.97 177.74 3ngb s SER 205 N -4.28 1.80 -0.68 0.08 1.04 -1.26 -5.08 113.70 105.31 3ngb s SER 205 Ca -0.17 -0.29 -0.33 0.00 0.48 0.00 0.00 55.95 55.64 3ngb s SER 205 Cb 0.02 -0.50 -0.16 0.00 0.10 0.00 0.00 66.02 65.48 3ngb s SER 205 CO 0.54 0.12 2.45 -2.65 0.98 0.00 0.00 173.24 174.68 3ngb n PRO 206 N 3.21 0.45 -0.69 4.02 -0.02 -1.26 -4.90 135.00 135.80 3ngb n PRO 206 Ca -0.18 0.06 -0.31 0.00 -2.02 0.00 0.00 63.50 61.04 3ngb n PRO 206 Cb 0.53 -2.12 0.16 0.00 -0.02 0.00 0.00 33.50 32.06 3ngb n PRO 206 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3ngb n VAL 207 N 7.40 0.00 -3.36 -1.45 0.31 -0.77 -4.71 118.33 115.75 3ngb n VAL 207 Ca 0.53 -0.05 -0.14 0.00 -0.01 0.00 0.00 64.34 64.67 3ngb n VAL 207 Cb 0.17 -0.91 -0.08 0.00 -0.91 0.00 0.00 33.84 32.11 3ngb n VAL 207 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3ngb s THR 208 N -2.58 -0.51 -0.33 2.52 2.01 -1.26 -0.87 115.64 114.62 3ngb s THR 208 Ca 0.65 -0.39 -0.17 0.00 0.31 0.00 0.00 61.69 62.08 3ngb s THR 208 Cb -0.23 -0.98 -0.01 0.00 0.01 0.00 0.00 72.50 71.30 3ngb s THR 208 CO 0.60 -0.38 0.49 -0.54 -0.69 0.00 0.00 174.62 174.10 3ngb s LYS 209 N 2.44 3.68 0.32 4.92 -0.14 -1.22 -4.87 119.74 124.88 3ngb s LYS 209 Ca 0.10 -0.13 0.04 0.00 -1.36 0.00 0.00 55.97 54.61 3ngb s LYS 209 Cb -0.13 -3.78 -0.04 0.00 -1.68 0.00 0.00 37.83 32.20 3ngb s LYS 209 CO -0.31 -0.58 0.16 -1.54 -0.76 0.00 0.00 175.35 172.32 3ngb s SER 210 N 1.73 1.74 0.15 2.83 1.04 -1.26 -1.58 113.70 118.34 3ngb s SER 210 Ca 0.18 -1.58 -0.25 0.00 0.48 0.00 0.00 55.95 54.78 3ngb s SER 210 Cb -0.16 0.40 0.06 0.00 0.10 0.00 0.00 66.02 66.42 3ngb s SER 210 CO 0.12 -0.89 0.85 0.72 0.98 0.00 0.00 173.24 175.02 3ngb s PHE 211 N -3.53 -0.24 0.08 5.02 -0.12 -0.99 -4.96 117.98 113.24 3ngb s PHE 211 Ca 0.34 -0.05 0.03 0.00 -0.05 0.00 0.00 56.93 57.20 3ngb s PHE 211 Cb 0.05 0.62 -0.04 0.00 -0.63 0.00 0.00 43.02 43.02 3ngb s PHE 211 CO 0.18 -0.85 0.11 -0.80 -0.05 0.00 0.00 175.22 173.80 3ngb s ASN 212 N -2.81 5.69 0.31 1.98 -0.87 -1.25 -0.58 114.94 117.41 3ngb s ASN 212 Ca 0.09 0.04 -0.28 0.00 -1.57 0.00 0.00 52.86 51.13 3ngb s ASN 212 Cb -0.02 -1.57 -0.13 0.00 -0.02 0.00 0.00 41.25 39.50 3ngb s ASN 212 CO -0.01 0.16 1.14 -1.14 -2.57 0.00 0.00 177.10 174.68 3ngb n ARG 213 N 0.34 1.70 -3.58 -0.60 0.63 -0.43 -2.17 116.66 112.55 3ngb n ARG 213 Ca -0.08 0.60 -0.27 0.00 -0.92 0.00 0.00 57.85 57.18 3ngb n ARG 213 Cb 0.52 -2.06 -0.00 0.00 0.45 0.00 0.00 32.46 31.36 3ngb n ARG 213 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3ngb n GLY 214 N 1.02 -0.48 3.05 5.14 0.00 -1.26 -4.95 105.19 107.71 3ngb n GLY 214 Ca 0.07 0.11 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 3ngb n GLY 214 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ngb s GLU 215 N -6.25 1.98 0.00 1.61 2.12 -0.92 -5.28 118.70 111.95 3ngb s GLU 215 Ca 0.50 -0.50 0.00 0.00 0.36 0.00 0.00 54.97 55.33 3ngb s GLU 215 Cb -0.26 -1.63 0.00 0.00 0.26 0.00 0.00 34.13 32.50 3ngb s GLU 215 CO 0.61 0.02 0.08 0.00 -0.54 0.00 0.00 175.26 175.43