#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ng4 s ASP 2 N 0.00 1.75 -0.02 4.31 1.01 -1.26 -5.10 116.67 117.36 3ng4 s ASP 2 Ca 0.00 -0.28 0.03 0.00 0.71 0.00 0.00 52.55 53.01 3ng4 s ASP 2 Cb 0.00 -0.78 0.10 0.00 1.01 0.00 0.00 42.92 43.25 3ng4 s ASP 2 CO 0.00 -0.01 0.87 -2.65 0.21 0.00 0.00 175.17 173.60 3ng4 n PRO 3 N 4.06 1.39 -2.37 8.23 -0.02 -1.26 -4.93 135.00 140.11 3ng4 n PRO 3 Ca -0.21 -0.40 -0.41 0.00 -2.02 0.00 0.00 63.50 60.45 3ng4 n PRO 3 Cb 0.51 -1.35 -0.03 0.00 -0.02 0.00 0.00 33.50 32.61 3ng4 n PRO 3 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3ng4 s PRO 4 N -1.55 4.46 0.69 0.52 0.04 -1.26 -5.00 135.00 132.90 3ng4 s PRO 4 Ca 0.07 1.87 -0.17 0.00 0.04 0.00 0.00 61.00 62.81 3ng4 s PRO 4 Cb 0.05 -3.27 0.01 0.00 0.04 0.00 0.00 34.50 31.33 3ng4 s PRO 4 CO 0.03 -0.17 1.27 0.00 0.04 0.00 0.00 177.00 178.18 3ng4 s ALA 5 N 0.35 2.23 -0.30 8.56 0.00 -1.26 -4.95 121.76 126.40 3ng4 s ALA 5 Ca 0.55 1.12 -0.16 0.00 0.00 0.00 0.00 51.96 53.47 3ng4 s ALA 5 Cb -0.32 -3.54 0.17 0.00 0.00 0.00 0.00 23.12 19.43 3ng4 s ALA 5 CO 0.34 -1.78 1.05 0.00 0.00 0.00 0.00 175.76 175.37 3ng4 n GLY 7 N 4.30 -1.89 2.83 0.00 0.00 -1.26 -4.83 105.19 104.33 3ng4 n GLY 7 Ca -0.13 -1.35 -0.17 0.00 0.00 0.00 0.00 46.02 44.38 3ng4 n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ng4 s SER 8 N -3.86 0.67 -0.03 1.61 0.01 -1.26 -5.14 113.70 105.70 3ng4 s SER 8 Ca 0.00 0.30 0.06 0.00 1.31 0.00 0.00 55.95 57.61 3ng4 s SER 8 Cb 0.00 0.21 -0.01 0.00 0.21 0.00 0.00 66.02 66.43 3ng4 s SER 8 CO 0.00 -0.23 -0.20 -0.63 0.41 0.00 0.00 173.24 172.59 3ng4 s ILE 9 N 2.11 1.60 -0.35 1.44 1.01 -1.26 -4.37 121.20 121.38 3ng4 s ILE 9 Ca 0.01 -0.84 -0.29 0.00 0.00 0.00 0.00 60.65 59.53 3ng4 s ILE 9 Cb -0.12 -1.35 0.01 0.00 0.01 0.00 0.00 42.46 41.02 3ng4 s ILE 9 CO -0.05 0.45 1.18 -0.69 0.00 0.00 0.00 174.94 175.84 3ng4 s VAL 10 N -0.26 4.28 0.58 2.92 1.01 0.95 -4.90 120.40 124.98 3ng4 s VAL 10 Ca 0.02 1.43 -0.17 0.00 0.00 0.00 0.00 61.98 63.25 3ng4 s VAL 10 Cb -0.10 -4.36 -0.04 0.00 0.00 0.00 0.00 36.38 31.88 3ng4 s VAL 10 CO 0.01 -0.62 1.09 -2.16 0.00 0.00 0.00 175.10 173.42 3ng4 s PRO 11 N 4.08 3.29 0.25 2.72 0.05 -1.26 -1.32 135.00 142.80 3ng4 s PRO 11 Ca 0.51 1.40 -0.08 0.00 0.05 0.00 0.00 61.00 62.87 3ng4 s PRO 11 Cb -0.13 -2.02 0.41 0.00 0.05 0.00 0.00 34.50 32.82 3ng4 s PRO 11 CO 0.23 -0.86 1.61 0.00 0.05 0.00 0.00 177.00 178.02 3ng4 h ARG 12 N 0.76 0.03 -0.07 4.56 3.08 -1.94 0.15 114.38 120.96 3ng4 h ARG 12 Ca -0.48 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 59.59 3ng4 h ARG 12 Cb 1.24 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.28 3ng4 h ARG 12 CO 0.57 0.02 0.05 0.00 -1.07 0.00 0.00 179.97 179.54 3ng4 h ARG 13 N 0.03 0.00 -0.00 0.04 2.47 -1.91 -0.75 114.38 114.26 3ng4 h ARG 13 Ca 0.41 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.96 3ng4 h ARG 13 Cb 0.69 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.99 3ng4 h ARG 13 CO -0.79 0.00 -0.81 1.49 0.56 0.00 0.00 179.97 180.42 3ng4 h GLU 14 N 0.00 0.06 -0.59 0.04 4.81 -1.05 -2.30 114.58 115.55 3ng4 h GLU 14 Ca 0.03 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3ng4 h GLU 14 Cb 0.13 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.53 3ng4 h GLU 14 CO -0.00 0.84 0.00 -2.67 -0.73 0.00 0.00 179.01 176.45 3ng4 n TRP 15 N -3.62 0.83 -3.29 0.92 4.27 -1.04 -4.94 117.44 110.57 3ng4 n TRP 15 Ca -0.02 -0.40 -0.16 0.00 -3.89 0.00 0.00 57.50 53.03 3ng4 n TRP 15 Cb 0.77 -0.03 0.08 0.00 -1.36 0.00 0.00 31.31 30.77 3ng4 n TRP 15 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 3ng4 n ARG 16 N 1.16 -6.05 -2.40 -2.67 1.74 -0.87 -4.46 116.66 103.12 3ng4 n ARG 16 Ca 0.20 0.73 -0.39 0.00 -0.77 0.00 0.00 57.85 57.62 3ng4 n ARG 16 Cb 0.52 -5.42 -0.03 0.00 -1.02 0.00 0.00 32.46 26.50 3ng4 n ARG 16 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ng4 s ALA 17 N -3.30 3.25 0.57 7.54 0.00 -0.33 -4.96 121.76 124.52 3ng4 s ALA 17 Ca 0.13 0.90 -0.20 0.00 0.00 0.00 0.00 51.96 52.79 3ng4 s ALA 17 Cb -0.06 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 3ng4 s ALA 17 CO 0.63 -0.34 1.26 -0.51 0.00 0.00 0.00 175.76 176.81 3ng4 s LEU 18 N -2.11 3.76 0.49 0.00 1.43 -1.26 -4.82 118.68 116.17 3ng4 s LEU 18 Ca 0.52 2.53 -0.23 0.00 -1.03 0.00 0.00 54.13 55.92 3ng4 s LEU 18 Cb -0.30 -4.45 -0.07 0.00 0.03 0.00 0.00 46.19 41.40 3ng4 s LEU 18 CO 0.38 -1.55 1.27 0.00 0.23 0.00 0.00 176.35 176.68 3ng4 n ALA 19 N -1.30 1.29 -1.95 4.21 0.00 -1.26 -4.97 120.51 116.52 3ng4 n ALA 19 Ca 0.12 0.18 -0.40 0.00 0.00 0.00 0.00 53.44 53.34 3ng4 n ALA 19 Cb 0.48 -2.28 -0.06 0.00 0.00 0.00 0.00 19.45 17.58 3ng4 n ALA 19 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3ng4 s SER 20 N -0.76 7.45 0.00 0.00 0.15 -1.26 -4.93 113.70 114.34 3ng4 s SER 20 Ca 0.67 1.71 0.17 0.00 0.70 0.00 0.00 55.95 59.20 3ng4 s SER 20 Cb -0.46 -2.52 0.27 0.00 -1.71 0.00 0.00 66.02 61.60 3ng4 s SER 20 CO 0.53 0.19 1.19 -0.62 1.20 0.00 0.00 173.24 175.73 3ng4 n GLU 21 N 1.62 1.97 -2.55 5.44 -0.58 -0.16 -5.00 120.64 121.37 3ng4 n GLU 21 Ca -0.05 -1.86 -0.40 0.00 -0.42 0.00 0.00 57.16 54.43 3ng4 n GLU 21 Cb 0.48 -1.36 -0.05 0.00 -0.57 0.00 0.00 31.44 29.94 3ng4 n GLU 21 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ng4 n ARG 23 N 1.07 2.83 -2.24 0.00 5.12 -1.26 -5.04 116.66 117.15 3ng4 n ARG 23 Ca -0.00 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.49 3ng4 n ARG 23 Cb 0.46 -0.76 -0.02 0.00 -1.16 0.00 0.00 32.46 30.98 3ng4 n ARG 23 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3ng4 s GLU 24 N -1.08 3.95 0.46 5.56 2.02 -1.26 -5.00 118.70 123.36 3ng4 s GLU 24 Ca 0.00 1.62 -0.11 0.00 0.02 0.00 0.00 54.97 56.49 3ng4 s GLU 24 Cb 0.00 -3.94 -0.06 0.00 0.10 0.00 0.00 34.13 30.23 3ng4 s GLU 24 CO 0.00 -1.09 0.85 1.03 0.02 0.00 0.00 175.26 176.07 3ng4 s ARG 25 N 4.25 3.77 0.32 1.61 0.52 -1.26 -1.21 118.95 126.94 3ng4 s ARG 25 Ca 0.64 0.58 -0.08 0.00 -0.52 0.00 0.00 55.73 56.35 3ng4 s ARG 25 Cb -0.23 -2.30 -0.06 0.00 0.52 0.00 0.00 34.95 32.88 3ng4 s ARG 25 CO 0.25 -0.17 0.64 -0.51 0.02 0.00 0.00 175.30 175.53 3ng4 s LEU 26 N -4.16 4.00 -0.29 2.53 1.43 -0.37 -4.48 118.68 117.34 3ng4 s LEU 26 Ca 0.53 0.94 -0.16 0.00 -1.03 0.00 0.00 54.13 54.42 3ng4 s LEU 26 Cb -0.10 -3.77 -0.03 0.00 0.03 0.00 0.00 46.19 42.32 3ng4 s LEU 26 CO 0.35 -0.25 0.40 -0.89 0.23 0.00 0.00 176.35 176.20 3ng4 s THR 27 N -2.13 5.15 0.21 5.49 2.01 -1.26 -4.90 115.64 120.21 3ng4 s THR 27 Ca 0.48 0.48 -0.30 0.00 0.31 0.00 0.00 61.69 62.66 3ng4 s THR 27 Cb -0.11 -3.76 -0.08 0.00 0.01 0.00 0.00 72.50 68.56 3ng4 s THR 27 CO 0.28 0.07 0.93 -0.13 -0.69 0.00 0.00 174.62 175.07 3ng4 s ARG 28 N 2.12 4.81 0.26 4.92 0.52 -1.26 -3.72 118.95 126.60 3ng4 s ARG 28 Ca 0.15 1.45 -0.17 0.00 -0.52 0.00 0.00 55.73 56.64 3ng4 s ARG 28 Cb -0.16 -3.29 -0.08 0.00 0.52 0.00 0.00 34.95 31.93 3ng4 s ARG 28 CO 0.11 0.48 0.72 -1.25 0.02 0.00 0.00 175.30 175.38 3ng4 s PRO 29 N -1.01 4.13 0.04 3.54 0.04 -1.26 -5.11 135.00 135.37 3ng4 s PRO 29 Ca 0.41 0.76 -0.26 0.00 0.04 0.00 0.00 61.00 61.95 3ng4 s PRO 29 Cb -0.25 -2.68 -0.05 0.00 0.04 0.00 0.00 34.50 31.55 3ng4 s PRO 29 CO 0.31 0.29 0.82 0.08 0.04 0.00 0.00 177.00 178.55 3ng4 s VAL 30 N -1.72 4.74 0.09 -0.36 1.01 0.73 -4.61 120.40 120.27 3ng4 s VAL 30 Ca 0.48 1.75 0.03 0.00 0.00 0.00 0.00 61.98 64.24 3ng4 s VAL 30 Cb -0.14 -4.17 -0.24 0.00 0.00 0.00 0.00 36.38 31.83 3ng4 s VAL 30 CO 0.19 0.31 1.16 -0.09 0.00 0.00 0.00 175.10 176.68 3ng4 h ARG 31 N 5.93 0.10 -6.72 2.72 2.43 -1.89 0.44 114.38 117.39 3ng4 h ARG 31 Ca -0.43 -0.18 -0.69 0.00 -0.81 0.00 0.00 59.98 57.88 3ng4 h ARG 31 Cb 1.21 0.07 -0.22 0.00 -0.42 0.00 0.00 29.97 30.60 3ng4 h ARG 31 CO 0.72 1.04 -0.83 0.71 -1.51 0.00 0.00 179.97 180.10 3ng4 s TYR 32 N -2.68 2.46 -0.13 2.20 2.02 -1.20 -1.35 117.35 118.67 3ng4 s TYR 32 Ca -0.02 -0.31 0.02 0.00 -0.37 0.00 0.00 57.07 56.39 3ng4 s TYR 32 Cb 0.09 -1.37 0.01 0.00 -0.40 0.00 0.00 41.96 40.29 3ng4 s TYR 32 CO 0.84 0.29 -0.18 0.08 -1.57 0.00 0.00 175.55 175.01 3ng4 s VAL 33 N -1.00 1.75 -0.21 0.71 1.01 -0.11 -0.77 120.40 121.78 3ng4 s VAL 33 Ca 0.15 -0.78 -0.06 0.00 0.00 0.00 0.00 61.98 61.29 3ng4 s VAL 33 Cb -0.10 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 3ng4 s VAL 33 CO 0.06 0.49 0.03 -0.69 0.00 0.00 0.00 175.10 174.99 3ng4 s VAL 34 N 1.04 4.20 -0.23 2.92 1.01 -0.47 0.08 120.40 128.95 3ng4 s VAL 34 Ca -0.04 -0.22 -0.11 0.00 0.00 0.00 0.00 61.98 61.61 3ng4 s VAL 34 Cb -0.15 -2.92 -0.05 0.00 0.00 0.00 0.00 36.38 33.27 3ng4 s VAL 34 CO -0.04 0.41 0.18 -0.69 0.00 0.00 0.00 175.10 174.95 3ng4 s VAL 35 N 1.08 5.36 0.46 2.92 1.01 0.15 -1.87 120.40 129.50 3ng4 s VAL 35 Ca 0.03 0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.27 3ng4 s VAL 35 Cb -0.14 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 3ng4 s VAL 35 CO 0.02 0.36 0.06 -0.94 0.00 0.00 0.00 175.10 174.60 3ng4 s SER 36 N 0.89 3.48 0.16 3.32 1.04 -0.56 -0.27 113.70 121.77 3ng4 s SER 36 Ca 0.09 -1.66 0.11 0.00 0.48 0.00 0.00 55.95 54.97 3ng4 s SER 36 Cb -0.13 0.49 -0.04 0.00 0.10 0.00 0.00 66.02 66.43 3ng4 s SER 36 CO 0.03 -0.88 -0.25 -1.38 0.98 0.00 0.00 173.24 171.75 3ng4 s HIS 37 N -3.03 2.32 0.07 5.02 -3.43 -1.26 -1.42 115.29 113.55 3ng4 s HIS 37 Ca 0.15 -0.36 0.25 0.00 -0.80 0.00 0.00 55.06 54.29 3ng4 s HIS 37 Cb 0.02 -1.20 0.88 0.00 -1.43 0.00 0.00 32.58 30.85 3ng4 s HIS 37 CO 0.09 0.42 1.80 1.79 -2.00 0.00 0.00 174.74 176.84 3ng4 h THR 38 N 3.53 0.46 -1.11 -5.38 1.35 -1.16 -3.46 112.91 107.14 3ng4 h THR 38 Ca -0.49 -1.11 -0.31 0.00 -0.55 0.00 0.00 66.41 63.95 3ng4 h THR 38 Cb 1.19 1.80 -0.10 0.00 -1.73 0.00 0.00 68.15 69.31 3ng4 h THR 38 CO 0.44 0.20 -0.31 0.00 -0.25 0.00 0.00 175.52 175.59 3ng4 n ALA 39 N -2.20 -0.29 -3.41 6.62 0.00 0.93 -4.91 120.51 117.25 3ng4 n ALA 39 Ca 0.01 0.22 -0.02 0.00 0.00 0.00 0.00 53.44 53.64 3ng4 n ALA 39 Cb 0.44 -1.68 0.00 0.00 0.00 0.00 0.00 19.45 18.21 3ng4 n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ng4 n GLY 40 N -1.06 2.79 3.74 0.00 0.00 -1.19 -4.75 105.19 104.72 3ng4 n GLY 40 Ca -0.16 -2.17 -0.35 0.00 0.00 0.00 0.00 46.02 43.34 3ng4 n GLY 40 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ng4 s SER 41 N -1.27 4.76 0.53 1.61 0.01 -1.26 -3.21 113.70 114.87 3ng4 s SER 41 Ca 0.03 2.30 0.09 0.00 1.31 0.00 0.00 55.95 59.68 3ng4 s SER 41 Cb -0.00 -2.59 0.06 0.00 0.21 0.00 0.00 66.02 63.70 3ng4 s SER 41 CO 0.02 -1.88 0.69 -1.38 0.41 0.00 0.00 173.24 171.10 3ng4 s HIS 42 N -1.90 1.77 -0.04 2.43 -0.00 -1.26 -3.73 115.29 112.56 3ng4 s HIS 42 Ca 0.74 -0.66 -0.22 0.00 -0.00 0.00 0.00 55.06 54.92 3ng4 s HIS 42 Cb -0.28 -2.21 0.05 0.00 -0.00 0.00 0.00 32.58 30.14 3ng4 s HIS 42 CO 0.40 -0.89 0.49 0.00 -0.00 0.00 0.00 174.74 174.74 3ng4 n ASP 44 N 1.22 0.90 -4.04 0.00 5.68 -1.26 -2.43 116.55 116.63 3ng4 n ASP 44 Ca -0.20 -2.43 -0.10 0.00 -0.50 0.00 0.00 54.79 51.56 3ng4 n ASP 44 Cb 0.56 -0.29 -0.11 0.00 -1.14 0.00 0.00 41.12 40.14 3ng4 n ASP 44 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 3ng4 s THR 45 N -1.07 0.34 0.35 2.12 -4.23 -1.26 -4.40 115.64 107.49 3ng4 s THR 45 Ca 0.14 -1.17 0.05 0.00 -1.18 0.00 0.00 61.69 59.54 3ng4 s THR 45 Cb 0.13 -0.66 0.30 0.00 1.34 0.00 0.00 72.50 73.61 3ng4 s THR 45 CO -0.00 -0.54 1.94 -0.65 -0.54 0.00 0.00 174.62 174.82 3ng4 h PRO 46 N 4.28 0.77 -0.21 3.99 0.11 -1.96 0.12 132.00 139.09 3ng4 h PRO 46 Ca -0.34 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.67 3ng4 h PRO 46 Cb 1.20 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 3ng4 h PRO 46 CO 0.46 0.51 -0.07 0.00 -0.21 0.00 0.00 178.00 178.68 3ng4 h ALA 47 N 1.59 0.29 -0.10 -0.75 0.00 -1.99 -0.89 119.26 117.41 3ng4 h ALA 47 Ca 0.35 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 3ng4 h ALA 47 Cb 0.33 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3ng4 h ALA 47 CO -0.13 0.10 -0.47 0.66 0.00 0.00 0.00 179.25 179.41 3ng4 h SER 48 N 0.13 0.26 1.08 0.00 4.64 -1.82 -2.58 113.55 115.27 3ng4 h SER 48 Ca 0.05 -0.12 -0.17 0.00 -0.47 0.00 0.00 61.79 61.08 3ng4 h SER 48 Cb 0.54 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.53 3ng4 h SER 48 CO 0.02 0.69 -0.80 0.00 -0.87 0.00 0.00 176.83 175.88 3ng4 h ALA 50 N 1.20 0.86 -0.35 0.00 0.00 -1.01 -0.94 119.26 119.02 3ng4 h ALA 50 Ca -0.01 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 3ng4 h ALA 50 Cb 1.55 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 3ng4 h ALA 50 CO 0.10 0.66 0.04 0.37 0.00 0.00 0.00 179.25 180.43 3ng4 h GLN 51 N 0.92 0.58 -0.88 0.00 5.75 -1.26 -2.06 115.11 118.15 3ng4 h GLN 51 Ca 0.16 -0.16 0.03 0.00 -0.15 0.00 0.00 58.65 58.52 3ng4 h GLN 51 Cb 0.58 -0.06 -0.05 0.00 1.07 0.00 0.00 27.48 29.02 3ng4 h GLN 51 CO 0.04 0.67 0.58 0.37 -2.65 0.00 0.00 178.83 177.83 3ng4 h GLN 52 N 0.41 1.11 -0.58 1.69 5.75 -0.87 0.99 115.11 123.60 3ng4 h GLN 52 Ca 0.10 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.53 3ng4 h GLN 52 Cb 0.38 -0.25 -0.03 0.00 1.07 0.00 0.00 27.48 28.65 3ng4 h GLN 52 CO 0.01 0.73 0.35 0.00 -2.65 0.00 0.00 178.83 177.27 3ng4 h ALA 53 N 1.35 0.75 -0.86 3.38 0.00 -0.99 0.85 119.26 123.73 3ng4 h ALA 53 Ca 0.34 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 3ng4 h ALA 53 Cb -0.04 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 3ng4 h ALA 53 CO -0.10 0.23 0.46 0.37 0.00 0.00 0.00 179.25 180.21 3ng4 h GLN 54 N 0.79 1.20 -0.24 0.00 4.15 -0.81 -0.95 115.11 119.24 3ng4 h GLN 54 Ca 0.21 -0.15 -0.03 0.00 0.77 0.00 0.00 58.65 59.46 3ng4 h GLN 54 Cb -0.01 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.44 3ng4 h GLN 54 CO -0.04 0.89 0.05 -0.91 -1.93 0.00 0.00 178.83 176.90 3ng4 h ASN 55 N 1.20 0.38 -0.42 -0.69 2.35 0.01 0.14 115.58 118.54 3ng4 h ASN 55 Ca 0.30 -0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3ng4 h ASN 55 Cb 0.05 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 3ng4 h ASN 55 CO -0.05 0.52 0.27 0.58 -1.65 0.00 0.00 177.43 177.11 3ng4 h VAL 56 N 0.22 1.12 -0.67 2.81 2.07 -0.66 -0.77 116.25 120.37 3ng4 h VAL 56 Ca 0.08 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 3ng4 h VAL 56 Cb 0.29 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3ng4 h VAL 56 CO 0.00 0.12 0.30 -0.61 0.02 0.00 0.00 177.57 177.40 3ng4 h GLN 57 N 0.57 0.98 -0.49 1.57 4.15 -0.95 -1.48 115.11 119.46 3ng4 h GLN 57 Ca 0.15 -0.16 0.07 0.00 0.77 0.00 0.00 58.65 59.49 3ng4 h GLN 57 Cb -0.05 -0.17 -0.06 0.00 0.21 0.00 0.00 27.48 27.42 3ng4 h GLN 57 CO -0.03 0.80 0.16 1.03 -1.93 0.00 0.00 178.83 178.85 3ng4 h SER 58 N 0.94 0.14 0.28 -0.69 0.87 -0.35 0.17 113.55 114.89 3ng4 h SER 58 Ca 0.23 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.84 3ng4 h SER 58 Cb 0.16 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 3ng4 h SER 58 CO -0.02 0.11 -0.14 0.22 -0.53 0.00 0.00 176.83 176.46 3ng4 h TYR 59 N 0.32 -0.36 -0.79 2.24 3.20 -0.81 0.14 116.97 120.91 3ng4 h TYR 59 Ca 0.24 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.11 3ng4 h TYR 59 Cb 0.27 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.61 3ng4 h TYR 59 CO -0.17 -0.22 0.52 0.45 -1.64 0.00 0.00 178.16 177.10 3ng4 h HIS 60 N -0.38 0.99 0.00 -3.82 3.86 -0.87 0.53 115.15 115.46 3ng4 h HIS 60 Ca -0.04 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.16 3ng4 h HIS 60 Cb 0.29 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.43 3ng4 h HIS 60 CO -0.06 0.61 -0.30 0.28 0.86 0.00 0.00 177.93 179.32 3ng4 h VAL 61 N 1.06 0.76 -0.34 2.45 2.07 -0.59 -1.72 116.25 119.93 3ng4 h VAL 61 Ca 0.30 -1.66 -0.16 0.00 0.82 0.00 0.00 66.70 66.00 3ng4 h VAL 61 Cb -0.09 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 3ng4 h VAL 61 CO -0.08 0.26 -0.42 0.03 0.02 0.00 0.00 177.57 177.38 3ng4 h ARG 62 N -1.00 0.86 0.01 1.57 2.47 -0.81 -2.49 114.38 115.00 3ng4 h ARG 62 Ca -0.06 -0.47 -0.39 0.00 -1.26 0.00 0.00 59.98 57.80 3ng4 h ARG 62 Cb 0.64 0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 28.93 3ng4 h ARG 62 CO -0.04 1.11 -2.24 0.09 0.56 0.00 0.00 179.97 179.45 3ng4 n ASN 63 N -4.04 1.97 0.07 7.04 4.13 0.04 -4.40 115.26 120.06 3ng4 n ASN 63 Ca -0.02 0.21 0.13 0.00 1.68 0.00 0.00 54.58 56.57 3ng4 n ASN 63 Cb 0.56 -0.74 0.41 0.00 -1.54 0.00 0.00 39.78 38.47 3ng4 n ASN 63 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3ng4 n LEU 64 N -3.92 0.59 -0.46 3.41 4.77 -0.37 -4.95 117.00 116.06 3ng4 n LEU 64 Ca -0.46 0.47 -0.06 0.00 -0.03 0.00 0.00 56.01 55.93 3ng4 n LEU 64 Cb 0.90 -0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 41.63 3ng4 n LEU 64 CO 0.17 -0.10 -0.06 0.61 -1.33 0.00 0.00 177.39 176.68 3ng4 n GLY 65 N 1.37 0.83 3.86 -0.72 0.00 -0.93 -4.97 105.19 104.63 3ng4 n GLY 65 Ca 0.06 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 3ng4 n GLY 65 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3ng4 s TRP 66 N -2.15 3.25 -0.82 1.61 0.51 -0.69 -4.96 118.94 115.69 3ng4 s TRP 66 Ca 0.00 1.16 0.22 0.00 -2.12 0.00 0.00 56.10 55.36 3ng4 s TRP 66 Cb 0.00 -2.99 0.88 0.00 -0.81 0.00 0.00 33.47 30.55 3ng4 s TRP 66 CO 0.00 -1.22 1.68 0.00 -0.51 0.00 0.00 176.95 176.91 3ng4 s ASP 68 N -3.57 -0.09 0.32 0.00 2.15 -1.26 -0.99 116.67 113.22 3ng4 s ASP 68 Ca 0.08 -0.38 -0.26 0.00 0.43 0.00 0.00 52.55 52.42 3ng4 s ASP 68 Cb 0.12 0.38 -0.14 0.00 -0.30 0.00 0.00 42.92 42.98 3ng4 s ASP 68 CO 0.41 -0.72 0.84 0.55 -0.17 0.00 0.00 175.17 176.08 3ng4 n VAL 69 N -0.55 2.00 0.23 1.11 3.14 -1.26 -4.58 118.33 118.42 3ng4 n VAL 69 Ca -0.06 -0.50 0.10 0.00 -2.96 0.00 0.00 64.34 60.93 3ng4 n VAL 69 Cb 0.61 -0.76 0.48 0.00 -1.06 0.00 0.00 33.84 33.11 3ng4 n VAL 69 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 3ng4 h GLY 70 N 1.54 0.00 -3.44 7.55 0.00 -1.90 -3.41 103.07 103.40 3ng4 h GLY 70 Ca -0.38 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.42 3ng4 h GLY 70 CO 0.58 0.00 -0.09 -0.19 0.00 0.00 0.00 176.54 176.84 3ng4 s TYR 71 N -3.69 3.43 0.21 5.60 2.02 -1.26 -0.02 117.35 123.64 3ng4 s TYR 71 Ca 0.00 0.88 0.05 0.00 -0.37 0.00 0.00 57.07 57.63 3ng4 s TYR 71 Cb 0.10 -2.27 0.16 0.00 -0.40 0.00 0.00 41.96 39.56 3ng4 s TYR 71 CO 0.63 0.23 1.50 -0.91 -1.57 0.00 0.00 175.55 175.42 3ng4 h ASN 72 N 2.35 0.22 -5.00 2.29 2.35 -1.04 -1.53 115.58 115.22 3ng4 h ASN 72 Ca -0.47 -0.15 -0.10 0.00 -0.55 0.00 0.00 56.30 55.03 3ng4 h ASN 72 Cb 1.17 -0.07 -0.20 0.00 0.05 0.00 0.00 38.32 39.28 3ng4 h ASN 72 CO 0.68 0.86 -0.16 -0.36 -1.65 0.00 0.00 177.43 176.80 3ng4 s PHE 73 N -3.52 -0.29 0.09 1.19 0.08 -1.06 -0.51 117.98 113.96 3ng4 s PHE 73 Ca -0.03 0.45 0.10 0.00 0.12 0.00 0.00 56.93 57.57 3ng4 s PHE 73 Cb 0.11 0.17 -0.03 0.00 -0.57 0.00 0.00 43.02 42.70 3ng4 s PHE 73 CO 0.80 -0.45 -0.25 -0.51 -0.10 0.00 0.00 175.22 174.71 3ng4 s LEU 74 N -1.35 2.26 -0.12 -0.37 1.02 -0.49 -1.28 118.68 118.35 3ng4 s LEU 74 Ca -0.12 -0.67 0.02 0.00 0.02 0.00 0.00 54.13 53.38 3ng4 s LEU 74 Cb -0.04 -1.15 -0.00 0.00 0.02 0.00 0.00 46.19 45.02 3ng4 s LEU 74 CO 0.05 0.18 -0.20 -0.63 0.02 0.00 0.00 176.35 175.77 3ng4 s ILE 75 N -0.97 2.40 0.11 -0.59 -1.09 0.10 -0.17 121.20 120.99 3ng4 s ILE 75 Ca 0.11 -0.89 0.01 0.00 -2.23 0.00 0.00 60.65 57.65 3ng4 s ILE 75 Cb -0.10 -1.97 -0.04 0.00 -1.58 0.00 0.00 42.46 38.78 3ng4 s ILE 75 CO 0.04 0.54 0.26 -0.83 -1.23 0.00 0.00 174.94 173.72 3ng4 s GLY 76 N 0.51 1.98 0.00 6.18 0.00 -0.17 -1.12 107.32 114.70 3ng4 s GLY 76 Ca -0.13 -0.90 0.14 0.00 0.00 0.00 0.00 44.72 43.83 3ng4 s GLY 76 CO 0.05 -0.88 1.24 1.18 0.00 0.00 0.00 173.10 174.69 3ng4 n GLU 77 N -0.11 0.46 0.00 2.90 1.02 -1.02 -1.28 120.64 122.62 3ng4 n GLU 77 Ca -0.06 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.23 3ng4 n GLU 77 Cb 0.52 -1.46 0.71 0.00 -0.02 0.00 0.00 31.44 31.19 3ng4 n GLU 77 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3ng4 n ASP 78 N -0.96 0.35 0.00 1.62 5.75 -1.22 -4.72 116.55 117.37 3ng4 n ASP 78 Ca 0.10 -0.66 0.00 0.00 -0.01 0.00 0.00 54.79 54.22 3ng4 n ASP 78 Cb 0.05 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 3ng4 n ASP 78 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ng4 n GLY 79 N 1.21 0.44 3.64 6.12 0.00 -0.40 -4.90 105.19 111.29 3ng4 n GLY 79 Ca 0.17 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 3ng4 n GLY 79 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ng4 s LEU 80 N 0.00 3.29 -0.19 0.99 1.43 -1.25 -4.67 118.68 118.28 3ng4 s LEU 80 Ca 0.00 -0.25 -0.10 0.00 -1.03 0.00 0.00 54.13 52.76 3ng4 s LEU 80 Cb 0.00 -2.04 -0.05 0.00 0.03 0.00 0.00 46.19 44.14 3ng4 s LEU 80 CO 0.00 0.19 0.13 -0.69 0.23 0.00 0.00 176.35 176.20 3ng4 s VAL 81 N -1.25 5.41 -0.20 -1.59 1.01 -1.26 -1.00 120.40 121.52 3ng4 s VAL 81 Ca 0.23 0.19 -0.08 0.00 0.00 0.00 0.00 61.98 62.32 3ng4 s VAL 81 Cb -0.11 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 3ng4 s VAL 81 CO 0.16 0.46 0.09 -0.31 0.00 0.00 0.00 175.10 175.49 3ng4 s TYR 82 N 0.22 3.27 0.07 5.22 2.02 0.77 -0.03 117.35 128.88 3ng4 s TYR 82 Ca 0.09 0.10 -0.31 0.00 -0.37 0.00 0.00 57.07 56.58 3ng4 s TYR 82 Cb -0.11 -2.13 -0.07 0.00 -0.40 0.00 0.00 41.96 39.24 3ng4 s TYR 82 CO -0.01 0.12 1.51 -2.00 -1.57 0.00 0.00 175.55 173.59 3ng4 s GLU 83 N 0.58 4.25 0.00 -0.62 2.12 -0.44 -1.39 118.70 123.20 3ng4 s GLU 83 Ca 0.05 2.16 0.00 0.00 0.36 0.00 0.00 54.97 57.54 3ng4 s GLU 83 Cb -0.13 -3.47 0.00 0.00 0.26 0.00 0.00 34.13 30.79 3ng4 s GLU 83 CO 0.01 -0.61 0.00 0.41 -0.54 0.00 0.00 175.26 174.53 3ng4 n GLY 84 N 3.75 0.85 0.18 -1.50 0.00 0.33 -4.52 105.19 104.30 3ng4 n GLY 84 Ca 0.14 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.30 3ng4 n GLY 84 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ng4 h ARG 85 N 0.00 0.00 0.00 1.61 3.08 -0.94 -3.47 114.38 114.66 3ng4 h ARG 85 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3ng4 h ARG 85 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3ng4 h ARG 85 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 3ng4 n GLY 86 N 0.31 -2.61 0.22 0.04 0.00 -0.59 -4.15 105.19 98.42 3ng4 n GLY 86 Ca 0.02 -1.72 0.10 0.00 0.00 0.00 0.00 46.02 44.42 3ng4 n GLY 86 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3ng4 h TRP 87 N 0.00 0.00 -0.01 1.61 4.06 -1.95 -3.34 115.95 116.33 3ng4 h TRP 87 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3ng4 h TRP 87 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 3ng4 h TRP 87 CO 0.00 0.21 -0.52 0.09 -3.56 0.00 0.00 178.44 174.66 3ng4 n ASN 88 N -3.32 1.19 -4.45 -3.49 3.02 -1.26 -4.84 115.26 102.11 3ng4 n ASN 88 Ca 0.01 -1.10 -0.33 0.00 -0.03 0.00 0.00 54.58 53.13 3ng4 n ASN 88 Cb 0.46 0.73 -0.13 0.00 -0.61 0.00 0.00 39.78 40.22 3ng4 n ASN 88 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3ng4 s ILE 89 N -2.17 3.36 0.22 2.41 -1.09 -1.25 -1.24 121.20 121.44 3ng4 s ILE 89 Ca 0.10 -0.57 -0.31 0.00 -2.23 0.00 0.00 60.65 57.64 3ng4 s ILE 89 Cb 0.12 -2.41 -0.11 0.00 -1.58 0.00 0.00 42.46 38.49 3ng4 s ILE 89 CO 0.51 0.54 1.59 -0.75 -1.23 0.00 0.00 174.94 175.60 3ng4 s LYS 90 N 0.02 4.18 0.19 2.79 2.20 -0.35 -4.71 119.74 124.06 3ng4 s LYS 90 Ca -0.03 2.46 0.01 0.00 -0.36 0.00 0.00 55.97 58.06 3ng4 s LYS 90 Cb -0.14 -3.10 0.04 0.00 -1.51 0.00 0.00 37.83 33.12 3ng4 s LYS 90 CO 0.04 -0.62 0.26 0.41 -0.36 0.00 0.00 175.35 175.08 3ng4 n GLY 91 N 3.17 1.23 2.59 5.54 0.00 -1.26 -4.93 105.19 111.53 3ng4 n GLY 91 Ca 0.12 -2.05 -0.28 0.00 0.00 0.00 0.00 46.02 43.81 3ng4 n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ng4 s ALA 92 N -2.60 2.25 0.00 4.61 0.00 0.97 -4.81 121.76 122.18 3ng4 s ALA 92 Ca 0.18 -2.90 0.00 0.00 0.00 0.00 0.00 51.96 49.24 3ng4 s ALA 92 Cb -0.01 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.30 3ng4 s ALA 92 CO 0.12 -2.03 0.00 -2.39 0.00 0.00 0.00 175.76 171.46 3ng4 n HIS 93 N 2.68 0.00 -2.06 0.00 1.44 -1.26 -4.53 115.22 111.49 3ng4 n HIS 93 Ca 0.24 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.95 3ng4 n HIS 93 Cb 0.42 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.54 3ng4 n HIS 93 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3ng4 n ALA 94 N 0.00 2.07 0.00 1.59 0.00 -1.26 -5.04 120.51 117.86 3ng4 n ALA 94 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 53.44 52.18 3ng4 n ALA 94 Cb 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 18.92 3ng4 n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ng4 n GLY 95 N 0.04 -0.51 0.25 0.00 0.00 -1.26 -4.11 105.19 99.59 3ng4 n GLY 95 Ca 0.01 -1.71 0.10 0.00 0.00 0.00 0.00 46.02 44.43 3ng4 n GLY 95 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ng4 h PRO 96 N 0.00 0.00 -0.19 1.61 0.13 -2.00 0.87 132.00 132.43 3ng4 h PRO 96 Ca 0.00 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.98 3ng4 h PRO 96 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3ng4 h PRO 96 CO 0.00 0.17 -0.48 1.15 -0.23 0.00 0.00 178.00 178.61 3ng4 h THR 97 N 0.00 1.32 0.00 1.56 2.02 -1.99 -3.39 112.91 112.44 3ng4 h THR 97 Ca -0.00 -1.72 -0.37 0.00 0.77 0.00 0.00 66.41 65.09 3ng4 h THR 97 Cb 0.43 1.92 -0.07 0.00 -1.74 0.00 0.00 68.15 68.69 3ng4 h THR 97 CO 0.02 0.53 -2.35 0.79 0.37 0.00 0.00 175.52 174.89 3ng4 n TRP 98 N -4.18 0.08 -0.23 3.16 7.02 -1.09 -4.43 117.44 117.78 3ng4 n TRP 98 Ca -0.06 0.03 0.00 0.00 -1.02 0.00 0.00 57.50 56.45 3ng4 n TRP 98 Cb 0.58 -1.01 0.07 0.00 -2.42 0.00 0.00 31.31 28.53 3ng4 n TRP 98 CO 0.00 0.00 0.00 -0.91 -2.02 0.00 0.00 177.69 174.76 3ng4 h ASN 99 N 0.00 -0.61 0.57 -0.99 2.35 -1.02 -2.17 115.58 113.71 3ng4 h ASN 99 Ca -0.53 0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.41 3ng4 h ASN 99 Cb 2.19 0.41 0.00 0.00 0.05 0.00 0.00 38.32 40.97 3ng4 h ASN 99 CO 0.02 -0.22 0.00 -0.81 -1.65 0.00 0.00 177.43 174.77 3ng4 n PRO 100 N -5.44 0.05 -0.07 0.81 -0.04 -1.26 -3.40 135.00 125.65 3ng4 n PRO 100 Ca 0.08 0.17 0.04 0.00 -0.04 0.00 0.00 63.50 63.76 3ng4 n PRO 100 Cb 0.34 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.36 3ng4 n PRO 100 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3ng4 n ILE 101 N -1.46 1.21 -4.09 0.52 -5.35 -0.85 -4.65 119.36 104.70 3ng4 n ILE 101 Ca 0.05 -1.37 -0.10 0.00 -0.27 0.00 0.00 62.75 61.06 3ng4 n ILE 101 Cb 0.20 0.23 -0.08 0.00 -1.74 0.00 0.00 39.64 38.26 3ng4 n ILE 101 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3ng4 s SER 102 N -1.70 0.05 -0.14 7.28 1.04 -1.04 -3.25 113.70 115.94 3ng4 s SER 102 Ca 0.13 -1.13 -0.02 0.00 0.48 0.00 0.00 55.95 55.41 3ng4 s SER 102 Cb 0.12 0.46 -0.03 0.00 0.10 0.00 0.00 66.02 66.68 3ng4 s SER 102 CO 0.01 -0.96 -0.06 -0.63 0.98 0.00 0.00 173.24 172.58 3ng4 s ILE 103 N -4.07 3.72 -0.25 -1.02 -1.09 0.05 -4.70 121.20 113.84 3ng4 s ILE 103 Ca 0.29 -0.43 -0.08 0.00 -2.23 0.00 0.00 60.65 58.20 3ng4 s ILE 103 Cb 0.03 -2.60 -0.04 0.00 -1.58 0.00 0.00 42.46 38.28 3ng4 s ILE 103 CO 0.09 0.52 0.10 -0.83 -1.23 0.00 0.00 174.94 173.58 3ng4 s GLY 104 N 0.18 1.83 -0.08 6.18 0.00 -1.26 -1.37 107.32 112.79 3ng4 s GLY 104 Ca -0.03 -1.05 0.02 0.00 0.00 0.00 0.00 44.72 43.66 3ng4 s GLY 104 CO 0.03 0.48 -0.14 -0.26 0.00 0.00 0.00 173.10 173.21 3ng4 s ILE 105 N 1.43 3.03 -0.05 0.90 -4.36 -0.78 -0.42 121.20 120.95 3ng4 s ILE 105 Ca 0.06 -0.71 0.04 0.00 -0.26 0.00 0.00 60.65 59.78 3ng4 s ILE 105 Cb -0.15 -2.22 -0.00 0.00 1.25 0.00 0.00 42.46 41.34 3ng4 s ILE 105 CO 0.05 0.56 -0.17 -0.55 0.24 0.00 0.00 174.94 175.07 3ng4 s SER 106 N -0.26 2.22 -0.16 4.36 0.15 -0.40 -1.49 113.70 118.13 3ng4 s SER 106 Ca 0.01 -0.37 -0.23 0.00 0.70 0.00 0.00 55.95 56.06 3ng4 s SER 106 Cb -0.13 -0.68 -0.02 0.00 -1.71 0.00 0.00 66.02 63.48 3ng4 s SER 106 CO 0.03 0.15 0.74 -0.36 1.20 0.00 0.00 173.24 175.00 3ng4 s PHE 107 N 0.10 3.44 -0.65 3.44 0.08 -0.51 0.03 117.98 123.91 3ng4 s PHE 107 Ca -0.06 1.15 -0.27 0.00 0.12 0.00 0.00 56.93 57.88 3ng4 s PHE 107 Cb -0.12 -2.90 -0.00 0.00 -0.57 0.00 0.00 43.02 39.42 3ng4 s PHE 107 CO 0.03 -0.15 1.65 -1.64 -0.10 0.00 0.00 175.22 175.01 3ng4 s MET 108 N 1.78 2.83 0.00 0.44 -1.94 -0.27 -1.39 119.30 120.76 3ng4 s MET 108 Ca 0.35 0.32 0.00 0.00 -1.71 0.00 0.00 55.69 54.65 3ng4 s MET 108 Cb -0.17 -4.31 0.00 0.00 2.01 0.00 0.00 34.83 32.36 3ng4 s MET 108 CO 0.13 -2.52 0.00 0.41 -0.01 0.00 0.00 175.02 173.03 3ng4 n GLY 109 N 5.58 -2.26 3.06 -0.03 0.00 -1.24 -4.16 105.19 106.13 3ng4 n GLY 109 Ca 0.14 -1.36 -0.32 0.00 0.00 0.00 0.00 46.02 44.48 3ng4 n GLY 109 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ng4 s ASN 110 N -0.99 4.09 -0.47 1.61 3.84 -1.20 -0.05 114.94 121.78 3ng4 s ASN 110 Ca 0.00 -1.22 0.03 0.00 0.21 0.00 0.00 52.86 51.89 3ng4 s ASN 110 Cb 0.00 -1.48 0.57 0.00 -0.55 0.00 0.00 41.25 39.79 3ng4 s ASN 110 CO 0.00 -0.16 1.82 -1.22 -2.79 0.00 0.00 177.10 174.75 3ng4 n TYR 111 N 4.50 2.73 -0.08 0.43 4.01 -1.26 -4.46 117.16 123.03 3ng4 n TYR 111 Ca -0.15 -2.14 -0.14 0.00 -0.16 0.00 0.00 57.90 55.31 3ng4 n TYR 111 Cb 0.44 -0.96 -0.05 0.00 -0.31 0.00 0.00 39.34 38.45 3ng4 n TYR 111 CO 0.00 0.00 0.00 0.52 -0.46 0.00 0.00 176.86 176.92 3ng4 h MET 112 N 1.33 0.64 0.00 -0.72 2.86 -1.84 -0.79 114.93 116.42 3ng4 h MET 112 Ca 0.54 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 3ng4 h MET 112 Cb 2.02 0.03 0.00 0.00 0.06 0.00 0.00 31.60 33.71 3ng4 h MET 112 CO 1.08 0.97 -0.05 0.09 1.06 0.00 0.00 176.91 180.07 3ng4 n ASN 113 N -4.28 1.83 -3.92 1.22 3.02 -1.26 -3.62 115.26 108.24 3ng4 n ASN 113 Ca -0.05 -2.46 -0.09 0.00 -0.03 0.00 0.00 54.58 51.95 3ng4 n ASN 113 Cb 0.48 -0.23 -0.09 0.00 -0.61 0.00 0.00 39.78 39.33 3ng4 n ASN 113 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3ng4 s ARG 114 N -1.75 0.66 0.17 3.52 0.52 -1.26 -5.05 118.95 115.76 3ng4 s ARG 114 Ca 0.16 -0.83 0.09 0.00 -0.52 0.00 0.00 55.73 54.62 3ng4 s ARG 114 Cb 0.14 0.26 -0.04 0.00 0.52 0.00 0.00 34.95 35.82 3ng4 s ARG 114 CO 0.01 -0.17 -0.09 0.14 0.02 0.00 0.00 175.30 175.21 3ng4 s VAL 115 N -3.00 3.23 0.68 3.52 -7.23 -1.26 -4.36 120.40 111.98 3ng4 s VAL 115 Ca -0.02 -1.59 -0.14 0.00 -1.81 0.00 0.00 61.98 58.43 3ng4 s VAL 115 Cb 0.01 -2.59 0.01 0.00 0.56 0.00 0.00 36.38 34.38 3ng4 s VAL 115 CO -0.06 -0.07 1.11 -2.84 -0.31 0.00 0.00 175.10 172.92 3ng4 s PRO 116 N -2.72 2.70 0.76 4.82 0.02 -1.26 -4.99 135.00 134.33 3ng4 s PRO 116 Ca 0.24 1.35 -0.11 0.00 0.02 0.00 0.00 61.00 62.50 3ng4 s PRO 116 Cb -0.09 -1.94 0.05 0.00 0.02 0.00 0.00 34.50 32.54 3ng4 s PRO 116 CO 0.15 -1.32 1.09 -1.25 -0.33 0.00 0.00 177.00 175.34 3ng4 s PRO 117 N -4.24 2.39 0.38 5.54 0.04 -1.26 -4.81 135.00 133.04 3ng4 s PRO 117 Ca 0.66 0.64 0.17 0.00 0.04 0.00 0.00 61.00 62.51 3ng4 s PRO 117 Cb -0.20 -1.95 1.06 0.00 0.04 0.00 0.00 34.50 33.45 3ng4 s PRO 117 CO 0.44 -1.41 1.76 -1.35 0.04 0.00 0.00 177.00 176.49 3ng4 h PRO 118 N -0.93 0.42 -0.15 0.56 0.11 -1.98 0.15 132.00 130.18 3ng4 h PRO 118 Ca -0.46 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 3ng4 h PRO 118 Cb 1.26 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3ng4 h PRO 118 CO 0.60 0.28 -0.18 0.07 -0.21 0.00 0.00 178.00 178.56 3ng4 h ARG 119 N 0.43 0.24 -0.19 1.05 0.11 -1.93 0.36 114.38 114.45 3ng4 h ARG 119 Ca 0.60 -0.06 -0.14 0.00 0.10 0.00 0.00 59.98 60.48 3ng4 h ARG 119 Cb 1.44 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.50 3ng4 h ARG 119 CO -0.33 0.42 -0.42 0.00 0.10 0.00 0.00 179.97 179.74 3ng4 h ALA 120 N 1.60 0.31 -0.56 0.08 0.00 -1.19 -2.37 119.26 117.12 3ng4 h ALA 120 Ca 0.04 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 3ng4 h ALA 120 Cb 0.45 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3ng4 h ALA 120 CO 0.03 0.43 0.34 -0.07 0.00 0.00 0.00 179.25 179.98 3ng4 h LEU 121 N 0.31 0.67 -0.51 0.00 3.38 -1.16 -1.73 115.31 116.28 3ng4 h LEU 121 Ca 0.00 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 57.94 3ng4 h LEU 121 Cb 1.03 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 3ng4 h LEU 121 CO 0.09 0.53 0.30 0.03 0.09 0.00 0.00 178.44 179.48 3ng4 h ARG 122 N 0.75 0.57 -0.61 1.13 3.08 -0.94 -2.09 114.38 116.27 3ng4 h ARG 122 Ca 0.20 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 3ng4 h ARG 122 Cb -0.02 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 29.87 3ng4 h ARG 122 CO -0.04 0.38 0.38 0.00 -1.07 0.00 0.00 179.97 179.62 3ng4 h ALA 123 N 1.23 0.78 0.18 0.04 0.00 -1.06 0.19 119.26 120.62 3ng4 h ALA 123 Ca 0.21 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3ng4 h ALA 123 Cb 0.03 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3ng4 h ALA 123 CO -0.10 0.25 -0.09 0.00 0.00 0.00 0.00 179.25 179.31 3ng4 h ALA 124 N 1.20 -0.24 -0.36 0.00 0.00 -1.09 0.03 119.26 118.80 3ng4 h ALA 124 Ca 0.22 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 3ng4 h ALA 124 Cb -0.04 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3ng4 h ALA 124 CO -0.04 -0.60 -0.15 1.96 0.00 0.00 0.00 179.25 180.42 3ng4 h GLN 125 N -0.31 0.64 -0.33 0.00 4.20 -1.25 -2.20 115.11 115.87 3ng4 h GLN 125 Ca -0.02 -0.21 -0.08 0.00 0.06 0.00 0.00 58.65 58.39 3ng4 h GLN 125 Cb 0.24 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 3ng4 h GLN 125 CO 0.04 0.76 -0.13 -0.91 -0.67 0.00 0.00 178.83 177.92 3ng4 h ASN 126 N 0.58 0.56 -0.59 1.46 4.21 -0.85 -1.50 115.58 119.45 3ng4 h ASN 126 Ca 0.10 -0.15 -0.06 0.00 1.21 0.00 0.00 56.30 57.40 3ng4 h ASN 126 Cb 0.58 -0.15 -0.02 0.00 -1.12 0.00 0.00 38.32 37.61 3ng4 h ASN 126 CO 0.04 0.72 0.15 0.25 -1.29 0.00 0.00 177.43 177.30 3ng4 h LEU 127 N 0.52 0.89 -0.42 1.61 5.85 -0.49 -1.74 115.31 121.54 3ng4 h LEU 127 Ca 0.09 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.53 3ng4 h LEU 127 Cb 0.54 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 3ng4 h LEU 127 CO 0.03 0.89 0.07 -0.07 -0.34 0.00 0.00 178.44 179.02 3ng4 h LEU 128 N 0.85 0.66 -0.97 2.25 3.38 -1.11 -0.20 115.31 120.17 3ng4 h LEU 128 Ca 0.19 -0.26 0.12 0.00 0.09 0.00 0.00 57.88 58.01 3ng4 h LEU 128 Cb 0.34 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 40.83 3ng4 h LEU 128 CO 0.00 0.75 0.60 0.00 0.09 0.00 0.00 178.44 179.88 3ng4 h ALA 129 N 0.93 1.45 -0.49 1.53 0.00 -1.07 -0.79 119.26 120.83 3ng4 h ALA 129 Ca 0.13 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 3ng4 h ALA 129 Cb 0.37 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3ng4 h ALA 129 CO 0.01 0.20 -0.10 0.00 0.00 0.00 0.00 179.25 179.35 3ng4 h GLY 131 N 0.97 1.19 0.98 0.00 0.00 0.34 -1.37 103.07 105.18 3ng4 h GLY 131 Ca 0.13 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 3ng4 h GLY 131 CO 0.04 0.40 0.18 -2.08 0.00 0.00 0.00 176.54 175.08 3ng4 h VAL 132 N 1.10 1.10 0.00 4.60 2.07 -1.05 -0.78 116.25 123.28 3ng4 h VAL 132 Ca 0.32 -0.22 -0.05 0.00 0.82 0.00 0.00 66.70 67.56 3ng4 h VAL 132 Cb -0.08 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3ng4 h VAL 132 CO -0.08 0.10 -0.25 0.00 0.02 0.00 0.00 177.57 177.35 3ng4 h ALA 133 N 1.07 1.46 0.00 1.67 0.00 -1.06 -0.57 119.26 121.84 3ng4 h ALA 133 Ca 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3ng4 h ALA 133 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3ng4 h ALA 133 CO -0.02 0.32 0.00 1.28 0.00 0.00 0.00 179.25 180.83 3ng4 n LEU 134 N -4.06 0.82 0.00 0.00 4.77 -0.56 -4.89 117.00 113.08 3ng4 n LEU 134 Ca -0.02 0.60 0.00 0.00 -0.03 0.00 0.00 56.01 56.56 3ng4 n LEU 134 Cb 0.32 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3ng4 n LEU 134 CO 0.36 -0.26 0.00 0.61 -1.33 0.00 0.00 177.39 176.77 3ng4 n GLY 135 N 1.06 0.62 0.25 -0.72 0.00 -0.22 -4.86 105.19 101.31 3ng4 n GLY 135 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 3ng4 n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ng4 h ALA 136 N 0.00 0.56 -3.40 4.61 0.00 -1.38 -3.37 119.26 116.28 3ng4 h ALA 136 Ca 0.00 -0.39 -0.66 0.00 0.00 0.00 0.00 54.91 53.87 3ng4 h ALA 136 Cb 0.00 -0.13 -0.13 0.00 0.00 0.00 0.00 17.79 17.53 3ng4 h ALA 136 CO 0.00 0.54 -0.67 -0.51 0.00 0.00 0.00 179.25 178.61 3ng4 s LEU 137 N -9.07 3.39 0.55 0.00 1.43 -0.91 -0.20 118.68 113.87 3ng4 s LEU 137 Ca -0.12 -0.18 -0.21 0.00 -1.03 0.00 0.00 54.13 52.59 3ng4 s LEU 137 Cb 0.11 -2.10 -0.05 0.00 0.03 0.00 0.00 46.19 44.18 3ng4 s LEU 137 CO 0.85 0.20 1.32 -0.13 0.23 0.00 0.00 176.35 178.81 3ng4 s ARG 138 N -2.13 3.16 0.48 1.70 0.52 0.14 -4.32 118.95 118.51 3ng4 s ARG 138 Ca 0.24 2.14 0.14 0.00 -0.52 0.00 0.00 55.73 57.72 3ng4 s ARG 138 Cb -0.12 -2.22 1.15 0.00 0.52 0.00 0.00 34.95 34.28 3ng4 s ARG 138 CO 0.16 -1.14 2.10 0.66 0.02 0.00 0.00 175.30 177.10 3ng4 h SER 139 N 1.43 0.16 -1.15 0.23 4.64 -1.91 -2.00 113.55 114.95 3ng4 h SER 139 Ca -0.51 -0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.15 3ng4 h SER 139 Cb 1.30 -0.04 -0.32 0.00 -0.31 0.00 0.00 62.40 63.03 3ng4 h SER 139 CO 0.57 0.11 0.49 -0.46 -0.87 0.00 0.00 176.83 176.68 3ng4 n ASN 140 N -4.50 6.99 -4.69 4.97 6.94 -1.26 -5.03 115.26 118.68 3ng4 n ASN 140 Ca 0.01 -3.79 -0.31 0.00 -0.02 0.00 0.00 54.58 50.47 3ng4 n ASN 140 Cb 0.14 -0.84 0.16 0.00 -2.36 0.00 0.00 39.78 36.87 3ng4 n ASN 140 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 3ng4 s TYR 141 N -3.81 1.74 -0.04 -2.53 -0.85 -0.75 -5.02 117.35 106.08 3ng4 s TYR 141 Ca 0.59 1.77 0.06 0.00 -0.52 0.00 0.00 57.07 58.96 3ng4 s TYR 141 Cb 0.47 -3.31 -0.01 0.00 0.38 0.00 0.00 41.96 39.50 3ng4 s TYR 141 CO -0.08 -2.68 -0.21 -1.21 -1.52 0.00 0.00 175.55 169.85 3ng4 s GLU 142 N -4.68 2.07 -0.18 -3.49 2.02 -0.46 -4.80 118.70 109.19 3ng4 s GLU 142 Ca 0.66 -0.76 -0.08 0.00 0.02 0.00 0.00 54.97 54.81 3ng4 s GLU 142 Cb -0.22 -1.82 -0.04 0.00 0.10 0.00 0.00 34.13 32.15 3ng4 s GLU 142 CO 0.58 0.35 0.08 0.08 0.02 0.00 0.00 175.26 176.36 3ng4 s VAL 143 N -0.17 4.96 0.23 2.63 1.01 0.83 -0.93 120.40 128.96 3ng4 s VAL 143 Ca -0.01 0.03 0.11 0.00 0.00 0.00 0.00 61.98 62.11 3ng4 s VAL 143 Cb -0.12 -3.23 -0.05 0.00 0.00 0.00 0.00 36.38 32.99 3ng4 s VAL 143 CO 0.02 0.48 -0.22 -0.54 0.00 0.00 0.00 175.10 174.84 3ng4 s LYS 144 N 0.20 1.56 0.42 2.72 1.02 0.11 -2.08 119.74 123.69 3ng4 s LYS 144 Ca 0.06 -1.62 -0.19 0.00 0.02 0.00 0.00 55.97 54.24 3ng4 s LYS 144 Cb -0.12 -1.75 -0.10 0.00 -0.52 0.00 0.00 37.83 35.33 3ng4 s LYS 144 CO -0.00 0.36 0.91 0.20 -0.92 0.00 0.00 175.35 175.90 3ng4 s GLY 145 N -3.03 2.33 0.26 -3.33 0.00 -1.26 -0.68 107.32 101.61 3ng4 s GLY 145 Ca 0.24 0.29 -0.01 0.00 0.00 0.00 0.00 44.72 45.24 3ng4 s GLY 145 CO 0.12 0.55 1.73 0.84 0.00 0.00 0.00 173.10 176.34 3ng4 h HIS 146 N 1.82 0.59 0.00 1.90 2.76 -0.80 0.26 115.15 121.68 3ng4 h HIS 146 Ca -0.48 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 57.72 3ng4 h HIS 146 Cb 1.18 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 30.00 3ng4 h HIS 146 CO 0.62 0.05 0.00 2.89 -1.30 0.00 0.00 177.93 180.20 3ng4 n ARG 147 N -4.99 0.07 0.20 5.26 1.85 -0.74 -1.51 116.66 116.79 3ng4 n ARG 147 Ca 0.17 0.43 0.13 0.00 -1.00 0.00 0.00 57.85 57.58 3ng4 n ARG 147 Cb 0.48 -1.67 0.27 0.00 -1.05 0.00 0.00 32.46 30.49 3ng4 n ARG 147 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 3ng4 h ASP 148 N 0.00 0.00 0.00 2.89 3.32 -0.79 -3.36 116.42 118.48 3ng4 h ASP 148 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3ng4 h ASP 148 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3ng4 h ASP 148 CO 0.00 0.00 0.00 1.33 -1.72 0.00 0.00 179.24 178.85 3ng4 n VAL 149 N -2.90 0.00 -3.72 -1.35 0.24 -0.57 -5.02 118.33 105.02 3ng4 n VAL 149 Ca 0.04 -0.46 -0.14 0.00 -2.04 0.00 0.00 64.34 61.73 3ng4 n VAL 149 Cb 0.48 1.02 -0.08 0.00 -1.47 0.00 0.00 33.84 33.79 3ng4 n VAL 149 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 3ng4 s GLN 150 N -0.73 0.73 -0.45 7.34 -0.21 -0.79 -5.00 119.66 120.55 3ng4 s GLN 150 Ca 0.00 -0.09 -0.28 0.00 0.02 0.00 0.00 55.36 55.00 3ng4 s GLN 150 Cb 0.00 0.33 0.00 0.00 1.00 0.00 0.00 33.01 34.34 3ng4 s GLN 150 CO 0.00 -0.21 1.52 -2.14 -2.12 0.00 0.00 175.29 172.34 3ng4 s PRO 151 N -1.27 3.39 0.06 2.91 0.02 -1.26 -4.12 135.00 134.73 3ng4 s PRO 151 Ca -0.13 0.89 -0.27 0.00 0.02 0.00 0.00 61.00 61.52 3ng4 s PRO 151 Cb -0.04 -4.11 0.08 0.00 0.02 0.00 0.00 34.50 30.44 3ng4 s PRO 151 CO 0.05 -1.80 0.68 -0.08 -0.33 0.00 0.00 177.00 175.52 3ng4 s THR 152 N 6.14 0.00 0.08 0.99 -1.32 -1.26 -5.00 115.64 115.27 3ng4 s THR 152 Ca 0.63 0.00 0.20 0.00 -1.21 0.00 0.00 61.69 61.31 3ng4 s THR 152 Cb -0.15 -1.00 0.16 0.00 -1.51 0.00 0.00 72.50 70.00 3ng4 s THR 152 CO 0.30 0.00 1.71 -0.07 -2.21 0.00 0.00 174.62 174.35 3ng4 h LEU 153 N 2.34 0.00 -9.80 9.08 3.38 -1.98 -3.41 115.31 114.92 3ng4 h LEU 153 Ca -0.30 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.11 3ng4 h LEU 153 Cb 1.24 0.00 0.12 0.00 0.09 0.00 0.00 40.66 42.11 3ng4 h LEU 153 CO 0.37 0.34 0.48 -0.24 0.09 0.00 0.00 178.44 179.49 3ng4 n SER 154 N -3.42 2.55 -1.29 -0.43 2.88 -1.26 -0.29 113.62 112.37 3ng4 n SER 154 Ca 0.00 1.13 -0.05 0.00 -1.33 0.00 0.00 58.87 58.62 3ng4 n SER 154 Cb 0.53 -1.49 0.08 0.00 -0.75 0.00 0.00 64.21 62.58 3ng4 n SER 154 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3ng4 n PRO 155 N 0.16 1.69 0.00 -1.46 -0.04 -1.26 -1.79 135.00 132.30 3ng4 n PRO 155 Ca 0.06 -1.04 0.00 0.00 -0.04 0.00 0.00 63.50 62.49 3ng4 n PRO 155 Cb 0.39 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 3ng4 n PRO 155 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ng4 n GLY 156 N 0.02 -0.33 0.18 0.55 0.00 0.60 -4.19 105.19 102.04 3ng4 n GLY 156 Ca 0.17 -1.41 -0.04 0.00 0.00 0.00 0.00 46.02 44.74 3ng4 n GLY 156 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3ng4 h ASP 157 N 0.00 0.18 -0.63 1.61 5.19 -1.70 0.52 116.42 121.59 3ng4 h ASP 157 Ca 0.00 0.05 -0.02 0.00 -0.62 0.00 0.00 57.03 56.44 3ng4 h ASP 157 Cb 0.00 0.03 -0.03 0.00 0.18 0.00 0.00 39.33 39.51 3ng4 h ASP 157 CO 0.00 0.14 0.33 0.03 -3.12 0.00 0.00 179.24 176.61 3ng4 h ARG 158 N 0.34 0.90 -0.23 3.56 2.47 -1.20 -2.50 114.38 117.71 3ng4 h ARG 158 Ca 0.21 -0.12 -0.16 0.00 -1.26 0.00 0.00 59.98 58.65 3ng4 h ARG 158 Cb 0.19 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.34 3ng4 h ARG 158 CO -0.21 0.70 -0.51 1.25 0.56 0.00 0.00 179.97 181.76 3ng4 h LEU 159 N 0.87 0.73 -0.70 3.04 5.85 -1.47 -3.13 115.31 120.50 3ng4 h LEU 159 Ca 0.22 -0.37 -0.04 0.00 0.84 0.00 0.00 57.88 58.53 3ng4 h LEU 159 Cb 0.08 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 3ng4 h LEU 159 CO -0.03 1.11 0.29 0.22 -0.34 0.00 0.00 178.44 179.68 3ng4 h TYR 160 N 0.52 1.07 -0.30 1.25 3.20 -0.72 -1.62 116.97 120.36 3ng4 h TYR 160 Ca 0.02 -0.08 -0.04 0.00 3.14 0.00 0.00 58.73 61.77 3ng4 h TYR 160 Cb 1.07 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 39.00 3ng4 h TYR 160 CO 0.05 0.82 0.02 0.93 -1.64 0.00 0.00 178.16 178.35 3ng4 h GLU 161 N 1.00 0.45 -0.00 1.82 5.08 -1.43 -0.90 114.58 120.59 3ng4 h GLU 161 Ca 0.23 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3ng4 h GLU 161 Cb 0.20 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3ng4 h GLU 161 CO -0.02 0.46 -0.01 0.82 -1.00 0.00 0.00 179.01 179.26 3ng4 h ILE 162 N 0.44 1.45 0.00 3.13 2.04 -1.36 -3.18 117.51 120.02 3ng4 h ILE 162 Ca 0.10 -1.33 -0.02 0.00 1.00 0.00 0.00 64.86 64.60 3ng4 h ILE 162 Cb 0.25 2.34 -0.00 0.00 -0.74 0.00 0.00 36.82 38.67 3ng4 h ILE 162 CO 0.00 0.35 -0.11 0.16 0.00 0.00 0.00 178.15 178.55 3ng4 h ILE 163 N -0.55 0.50 -0.10 -0.67 3.07 -0.87 -0.89 117.51 118.00 3ng4 h ILE 163 Ca 0.00 -0.55 0.03 0.00 1.55 0.00 0.00 64.86 65.89 3ng4 h ILE 163 Cb 0.57 1.37 -0.00 0.00 -0.27 0.00 0.00 36.82 38.49 3ng4 h ILE 163 CO 0.00 0.11 0.12 1.56 -1.05 0.00 0.00 178.15 178.90 3ng4 h GLN 164 N 0.00 0.00 -0.01 0.16 4.20 -1.16 0.11 115.11 118.42 3ng4 h GLN 164 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3ng4 h GLN 164 Cb 0.36 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.14 3ng4 h GLN 164 CO 0.01 0.00 -0.28 0.25 -0.67 0.00 0.00 178.83 178.14 3ng4 n THR 165 N -3.73 0.00 -2.09 -0.54 -2.24 -0.34 -4.85 114.28 100.49 3ng4 n THR 165 Ca -0.01 -0.11 -0.38 0.00 -2.27 0.00 0.00 64.05 61.28 3ng4 n THR 165 Cb 0.22 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 3ng4 n THR 165 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 3ng4 s TRP 166 N -2.56 2.74 0.22 4.78 0.52 0.03 -4.93 118.94 119.74 3ng4 s TRP 166 Ca 0.23 1.46 -0.16 0.00 0.02 0.00 0.00 56.10 57.65 3ng4 s TRP 166 Cb 0.19 -3.57 0.24 0.00 -1.15 0.00 0.00 33.47 29.18 3ng4 s TRP 166 CO 0.54 -1.99 1.58 0.77 0.02 0.00 0.00 176.95 177.87 3ng4 h SER 167 N 2.17 -1.11 -0.32 2.95 0.02 -1.92 -1.46 113.55 113.88 3ng4 h SER 167 Ca -0.50 0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 3ng4 h SER 167 Cb 1.26 0.61 0.00 0.00 0.14 0.00 0.00 62.40 64.41 3ng4 h SER 167 CO 0.60 -0.29 0.00 1.41 -1.14 0.00 0.00 176.83 177.41 3ng4 n HIS 168 N -5.48 0.43 -2.30 3.45 8.25 -1.26 -4.92 115.22 113.39 3ng4 n HIS 168 Ca 0.09 -0.21 -0.42 0.00 -0.26 0.00 0.00 57.72 56.91 3ng4 n HIS 168 Cb 0.39 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.47 3ng4 n HIS 168 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 3ng4 s TYR 169 N -1.57 3.32 -0.16 4.41 5.04 -0.55 -0.12 117.35 127.72 3ng4 s TYR 169 Ca 0.24 1.12 -0.05 0.00 -2.44 0.00 0.00 57.07 55.94 3ng4 s TYR 169 Cb 0.12 -3.55 0.06 0.00 0.35 0.00 0.00 41.96 38.94 3ng4 s TYR 169 CO 0.17 -1.84 0.10 1.03 -1.34 0.00 0.00 175.55 173.67 3ng4 s ARG 170 N 1.14 0.06 0.00 4.97 1.81 -0.88 -4.84 118.95 121.21 3ng4 s ARG 170 Ca 0.62 0.00 0.00 0.00 -1.72 0.00 0.00 55.73 54.63 3ng4 s ARG 170 Cb -0.33 -1.61 0.00 0.00 -0.45 0.00 0.00 34.95 32.56 3ng4 s ARG 170 CO 0.29 -0.63 0.32 0.00 -0.68 0.00 0.00 175.30 174.61