#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ab4 n THR 7 N 0.00 0.23 -3.62 -5.08 -1.04 -0.68 -4.98 114.28 99.11 3ab4 n THR 7 Ca 0.00 -0.27 0.02 0.00 -2.04 0.00 0.00 64.05 61.76 3ab4 n THR 7 Cb 0.00 -0.13 -0.00 0.00 -1.82 0.00 0.00 70.33 68.38 3ab4 n THR 7 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3ab4 s GLY 8 N -3.44 -0.42 -0.09 3.41 0.00 -1.16 -4.99 107.32 100.62 3ab4 s GLY 8 Ca -0.04 0.72 0.01 0.00 0.00 0.00 0.00 44.72 45.42 3ab4 s GLY 8 CO 0.37 0.39 -0.12 -1.34 0.00 0.00 0.00 173.10 172.39 3ab4 s VAL 9 N -2.32 1.24 0.17 1.40 -7.23 -1.26 -0.38 120.40 112.02 3ab4 s VAL 9 Ca 0.15 -0.50 0.07 0.00 -1.81 0.00 0.00 61.98 59.89 3ab4 s VAL 9 Cb 0.05 -1.16 -0.04 0.00 0.56 0.00 0.00 36.38 35.79 3ab4 s VAL 9 CO -0.04 0.39 0.04 0.00 -0.31 0.00 0.00 175.10 175.17 3ab4 s ALA 10 N 1.00 3.31 0.06 1.32 0.00 -0.68 -4.99 121.76 121.77 3ab4 s ALA 10 Ca -0.08 -1.32 0.05 0.00 0.00 0.00 0.00 51.96 50.61 3ab4 s ALA 10 Cb -0.15 -1.10 -0.03 0.00 0.00 0.00 0.00 23.12 21.85 3ab4 s ALA 10 CO -0.01 0.49 -0.14 0.95 0.00 0.00 0.00 175.76 177.05 3ab4 s THR 11 N -1.74 1.11 -0.08 0.00 -4.23 -1.26 -1.35 115.64 108.08 3ab4 s THR 11 Ca 0.28 -1.19 -0.04 0.00 -1.18 0.00 0.00 61.69 59.57 3ab4 s THR 11 Cb -0.09 -1.05 0.04 0.00 1.34 0.00 0.00 72.50 72.74 3ab4 s THR 11 CO 0.20 -0.14 0.18 -0.62 -0.54 0.00 0.00 174.62 173.69 3ab4 s ASP 12 N -1.52 0.14 -0.19 3.99 -1.08 0.67 -4.99 116.67 113.69 3ab4 s ASP 12 Ca -0.01 0.37 0.15 0.00 -0.52 0.00 0.00 52.55 52.54 3ab4 s ASP 12 Cb -0.09 0.30 0.41 0.00 -1.46 0.00 0.00 42.92 42.08 3ab4 s ASP 12 CO 0.02 -0.19 1.28 2.29 0.52 0.00 0.00 175.17 179.10 3ab4 n LYS 13 N 4.63 1.80 0.00 4.34 -0.00 -1.26 -0.26 118.16 127.41 3ab4 n LYS 13 Ca -0.18 -2.93 0.11 0.00 -0.00 0.00 0.00 58.31 55.30 3ab4 n LYS 13 Cb 0.51 -1.66 0.08 0.00 -0.00 0.00 0.00 35.03 33.96 3ab4 n LYS 13 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 3ab4 n SER 14 N -1.11 2.68 -4.58 -5.58 3.41 -1.26 -5.00 113.62 102.17 3ab4 n SER 14 Ca 0.21 -1.84 -0.28 0.00 -0.26 0.00 0.00 58.87 56.70 3ab4 n SER 14 Cb 0.78 0.07 -0.09 0.00 -0.26 0.00 0.00 64.21 64.71 3ab4 n SER 14 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3ab4 s GLU 15 N -1.89 2.11 0.05 4.33 2.02 -1.26 -2.01 118.70 122.04 3ab4 s GLU 15 Ca 0.24 -1.14 0.03 0.00 0.02 0.00 0.00 54.97 54.11 3ab4 s GLU 15 Cb 0.18 -2.24 -0.04 0.00 0.10 0.00 0.00 34.13 32.13 3ab4 s GLU 15 CO 0.31 0.47 0.04 0.00 0.02 0.00 0.00 175.26 176.10 3ab4 s ALA 16 N -1.47 3.41 -0.08 5.21 0.00 -0.04 -4.38 121.76 124.42 3ab4 s ALA 16 Ca 0.23 -1.00 -0.02 0.00 0.00 0.00 0.00 51.96 51.16 3ab4 s ALA 16 Cb -0.10 -1.36 -0.04 0.00 0.00 0.00 0.00 23.12 21.62 3ab4 s ALA 16 CO 0.15 0.70 0.04 0.21 0.00 0.00 0.00 175.76 176.85 3ab4 s LYS 17 N -2.04 3.07 -0.01 0.00 2.20 -0.53 -2.27 119.74 120.16 3ab4 s LYS 17 Ca 0.25 -0.37 0.02 0.00 -0.36 0.00 0.00 55.97 55.51 3ab4 s LYS 17 Cb -0.12 -2.87 -0.00 0.00 -1.51 0.00 0.00 37.83 33.33 3ab4 s LYS 17 CO 0.17 0.71 -0.07 0.54 -0.36 0.00 0.00 175.35 176.33 3ab4 s VAL 18 N -0.96 0.60 -0.11 4.02 0.11 -0.04 -1.64 120.40 122.39 3ab4 s VAL 18 Ca 0.15 -0.31 0.03 0.00 -2.93 0.00 0.00 61.98 58.91 3ab4 s VAL 18 Cb -0.12 -0.52 0.01 0.00 -1.53 0.00 0.00 36.38 34.23 3ab4 s VAL 18 CO 0.04 0.18 -0.19 -0.89 -3.33 0.00 0.00 175.10 170.91 3ab4 s THR 19 N -0.09 1.75 -0.25 5.04 2.01 -0.66 -0.87 115.64 122.58 3ab4 s THR 19 Ca 0.02 -0.81 -0.09 0.00 0.31 0.00 0.00 61.69 61.12 3ab4 s THR 19 Cb -0.04 -1.56 -0.04 0.00 0.01 0.00 0.00 72.50 70.87 3ab4 s THR 19 CO -0.00 0.49 0.11 -0.69 -0.69 0.00 0.00 174.62 173.84 3ab4 s VAL 20 N 0.75 4.74 0.11 3.82 1.01 0.36 -1.50 120.40 129.68 3ab4 s VAL 20 Ca -0.11 -0.03 0.05 0.00 0.00 0.00 0.00 61.98 61.89 3ab4 s VAL 20 Cb -0.16 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 3ab4 s VAL 20 CO 0.01 0.33 0.03 -0.76 0.00 0.00 0.00 175.10 174.72 3ab4 s LEU 21 N 1.41 3.56 -0.52 3.92 1.43 -0.83 0.07 118.68 127.71 3ab4 s LEU 21 Ca 0.06 -0.17 -0.03 0.00 -1.03 0.00 0.00 54.13 52.96 3ab4 s LEU 21 Cb -0.15 -2.25 0.00 0.00 0.03 0.00 0.00 46.19 43.82 3ab4 s LEU 21 CO 0.05 0.15 0.46 0.61 0.23 0.00 0.00 176.35 177.85 3ab4 n GLY 22 N 0.32 0.35 3.79 -3.19 0.00 -1.18 0.96 105.19 106.24 3ab4 n GLY 22 Ca -0.10 -0.31 -0.38 0.00 0.00 0.00 0.00 46.02 45.23 3ab4 n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ab4 s ILE 23 N -3.13 4.91 -0.01 -0.61 1.09 0.60 -3.91 121.20 120.15 3ab4 s ILE 23 Ca 0.21 1.12 -0.30 0.00 -1.10 0.00 0.00 60.65 60.58 3ab4 s ILE 23 Cb -0.09 -3.86 -0.05 0.00 -1.06 0.00 0.00 42.46 37.39 3ab4 s ILE 23 CO 0.28 0.48 1.34 -0.44 -0.10 0.00 0.00 174.94 176.51 3ab4 s SER 24 N -0.57 6.91 -1.14 3.58 0.01 -1.26 -1.18 113.70 120.04 3ab4 s SER 24 Ca 0.28 2.04 -0.16 0.00 1.31 0.00 0.00 55.95 59.42 3ab4 s SER 24 Cb -0.18 -2.56 -0.06 0.00 0.21 0.00 0.00 66.02 63.43 3ab4 s SER 24 CO 0.16 -0.67 2.14 -0.67 0.41 0.00 0.00 173.24 174.62 3ab4 n ASP 25 N 5.19 3.71 -3.98 2.44 -0.08 -1.26 -4.75 116.55 117.81 3ab4 n ASP 25 Ca 0.12 -2.72 -0.08 0.00 -1.51 0.00 0.00 54.79 50.61 3ab4 n ASP 25 Cb 0.44 -1.38 -0.09 0.00 2.34 0.00 0.00 41.12 42.43 3ab4 n ASP 25 CO 0.00 0.00 0.00 -1.59 0.12 0.00 0.00 177.20 175.73 3ab4 s LYS 26 N 3.90 0.72 0.10 -0.67 -2.85 -1.26 -5.09 119.74 114.58 3ab4 s LYS 26 Ca 0.52 -1.09 -0.31 0.00 -1.00 0.00 0.00 55.97 54.09 3ab4 s LYS 26 Cb 0.14 0.27 -0.10 0.00 -2.06 0.00 0.00 37.83 36.09 3ab4 s LYS 26 CO 0.00 -0.18 1.85 -2.14 0.10 0.00 0.00 175.35 174.98 3ab4 s PRO 27 N -3.88 4.14 0.00 1.78 0.02 -1.26 -3.39 135.00 132.40 3ab4 s PRO 27 Ca 0.06 2.59 0.00 0.00 0.02 0.00 0.00 61.00 63.66 3ab4 s PRO 27 Cb 0.06 -3.73 0.00 0.00 0.02 0.00 0.00 34.50 30.85 3ab4 s PRO 27 CO -0.10 -0.87 0.00 0.41 -0.33 0.00 0.00 177.00 176.11 3ab4 n GLY 28 N 4.30 1.66 0.20 0.52 0.00 -1.26 -4.99 105.19 105.62 3ab4 n GLY 28 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 3ab4 n GLY 28 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ab4 h GLU 29 N 0.66 0.69 -0.50 1.61 4.39 -1.85 -2.97 114.58 116.60 3ab4 h GLU 29 Ca 0.00 -0.69 0.07 0.00 0.34 0.00 0.00 59.36 59.07 3ab4 h GLU 29 Cb 0.00 0.19 -0.06 0.00 -0.10 0.00 0.00 28.75 28.78 3ab4 h GLU 29 CO 0.00 1.28 0.18 0.00 -1.16 0.00 0.00 179.01 179.31 3ab4 h ALA 30 N 0.48 0.61 -0.88 3.43 0.00 -1.90 -2.45 119.26 118.56 3ab4 h ALA 30 Ca -0.11 0.07 0.14 0.00 0.00 0.00 0.00 54.91 55.01 3ab4 h ALA 30 Cb 1.61 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 19.35 3ab4 h ALA 30 CO 0.19 -0.22 0.48 0.00 0.00 0.00 0.00 179.25 179.70 3ab4 h ALA 31 N 1.34 1.33 -0.49 0.00 0.00 -1.95 -1.47 119.26 118.01 3ab4 h ALA 31 Ca 0.24 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.28 3ab4 h ALA 31 Cb 0.26 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 3ab4 h ALA 31 CO -0.25 -0.03 0.19 0.87 0.00 0.00 0.00 179.25 180.03 3ab4 h LYS 32 N 0.70 0.37 0.08 0.00 1.57 -1.34 0.38 116.57 118.32 3ab4 h LYS 32 Ca 0.47 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.22 3ab4 h LYS 32 Cb 0.62 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.85 3ab4 h LYS 32 CO -0.34 0.24 -0.04 0.28 -0.57 0.00 0.00 179.45 179.03 3ab4 h VAL 33 N 0.38 1.05 0.00 0.50 2.07 -1.25 -2.92 116.25 116.08 3ab4 h VAL 33 Ca 0.23 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.30 3ab4 h VAL 33 Cb 0.22 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 3ab4 h VAL 33 CO -0.22 0.11 -0.02 0.49 0.02 0.00 0.00 177.57 177.96 3ab4 n PHE 34 N -5.04 0.69 -0.08 1.57 3.72 -1.04 -2.68 117.46 114.61 3ab4 n PHE 34 Ca -0.08 0.20 -0.13 0.00 -0.05 0.00 0.00 57.45 57.39 3ab4 n PHE 34 Cb 0.15 -0.82 -0.05 0.00 -0.94 0.00 0.00 39.48 37.81 3ab4 n PHE 34 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ab4 h ARG 35 N 0.00 0.53 0.49 -1.08 2.47 -0.89 -2.46 114.38 113.45 3ab4 h ARG 35 Ca 0.00 -0.27 -0.01 0.00 -1.26 0.00 0.00 59.98 58.43 3ab4 h ARG 35 Cb 0.68 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.99 3ab4 h ARG 35 CO 0.00 0.85 -0.41 0.00 0.56 0.00 0.00 179.97 180.98 3ab4 h ALA 36 N 0.67 -0.94 -0.79 0.04 0.00 -1.31 -1.16 119.26 115.78 3ab4 h ALA 36 Ca 0.04 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 54.89 3ab4 h ALA 36 Cb 0.75 0.56 -0.08 0.00 0.00 0.00 0.00 17.79 19.02 3ab4 h ALA 36 CO 0.05 -1.06 0.43 -0.07 0.00 0.00 0.00 179.25 178.60 3ab4 h LEU 37 N -0.89 0.58 -0.79 0.00 4.07 -1.64 -2.40 115.31 114.25 3ab4 h LEU 37 Ca -0.05 0.06 -0.07 0.00 0.08 0.00 0.00 57.88 57.89 3ab4 h LEU 37 Cb 0.76 -0.05 -0.03 0.00 1.08 0.00 0.00 40.66 42.43 3ab4 h LEU 37 CO -0.02 0.32 0.10 0.00 -1.08 0.00 0.00 178.44 177.77 3ab4 h ALA 38 N 1.46 1.00 0.00 1.53 0.00 -1.23 -2.02 119.26 120.01 3ab4 h ALA 38 Ca 0.39 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3ab4 h ALA 38 Cb 0.41 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3ab4 h ALA 38 CO -0.27 0.63 -0.12 -0.44 0.00 0.00 0.00 179.25 179.05 3ab4 h ASP 39 N 0.96 0.00 -0.09 0.00 3.32 -0.71 0.23 116.42 120.13 3ab4 h ASP 39 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3ab4 h ASP 39 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 3ab4 h ASP 39 CO 0.01 0.12 0.00 0.00 -1.72 0.00 0.00 179.24 177.65 3ab4 n ALA 40 N -2.23 2.56 -2.83 3.45 0.00 -1.00 -4.93 120.51 115.53 3ab4 n ALA 40 Ca -0.01 -0.39 -0.22 0.00 0.00 0.00 0.00 53.44 52.82 3ab4 n ALA 40 Cb 0.28 -1.19 0.02 0.00 0.00 0.00 0.00 19.45 18.56 3ab4 n ALA 40 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3ab4 n GLU 41 N -0.07 -3.81 -2.97 0.00 1.02 0.80 -4.96 120.64 110.65 3ab4 n GLU 41 Ca 0.17 0.92 -0.41 0.00 -0.02 0.00 0.00 57.16 57.82 3ab4 n GLU 41 Cb 0.25 -5.72 -0.04 0.00 -0.02 0.00 0.00 31.44 25.91 3ab4 n GLU 41 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3ab4 s ILE 42 N -3.12 4.96 -0.14 -3.67 -1.09 -0.79 -5.03 121.20 112.32 3ab4 s ILE 42 Ca 0.21 1.54 -0.20 0.00 -2.23 0.00 0.00 60.65 59.96 3ab4 s ILE 42 Cb -0.09 -4.09 -0.03 0.00 -1.58 0.00 0.00 42.46 36.66 3ab4 s ILE 42 CO 0.26 0.14 0.59 0.21 -1.23 0.00 0.00 174.94 174.90 3ab4 s ASN 43 N 1.00 6.74 0.04 3.58 3.04 -1.26 -4.51 114.94 123.57 3ab4 s ASN 43 Ca 0.38 0.89 0.01 0.00 0.04 0.00 0.00 52.86 54.18 3ab4 s ASN 43 Cb -0.17 -2.34 -0.04 0.00 -1.54 0.00 0.00 41.25 37.16 3ab4 s ASN 43 CO 0.16 -0.15 0.11 -0.63 -3.04 0.00 0.00 177.10 173.55 3ab4 s ILE 44 N 1.25 4.85 0.00 -5.21 1.01 -1.26 -4.39 121.20 117.44 3ab4 s ILE 44 Ca 0.29 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.43 3ab4 s ILE 44 Cb -0.16 -3.29 0.00 0.00 0.01 0.00 0.00 42.46 39.02 3ab4 s ILE 44 CO 0.12 0.23 0.00 -0.67 0.00 0.00 0.00 174.94 174.62 3ab4 n ASP 45 N 0.73 0.00 -4.75 3.58 2.03 -0.65 -5.00 116.55 112.49 3ab4 n ASP 45 Ca -0.10 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.81 3ab4 n ASP 45 Cb 0.52 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.88 3ab4 n ASP 45 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 3ab4 s MET 46 N 0.98 4.53 0.00 -0.67 -1.94 -1.25 -4.82 119.30 116.12 3ab4 s MET 46 Ca 0.00 1.92 0.05 0.00 -1.71 0.00 0.00 55.69 55.95 3ab4 s MET 46 Cb 0.00 -3.18 -0.01 0.00 2.01 0.00 0.00 34.83 33.64 3ab4 s MET 46 CO 0.00 0.02 -0.16 0.08 -0.01 0.00 0.00 175.02 174.95 3ab4 s VAL 47 N -0.76 1.25 -0.11 -6.03 1.01 -1.26 -0.84 120.40 113.65 3ab4 s VAL 47 Ca 0.48 -0.77 -0.10 0.00 0.00 0.00 0.00 61.98 61.59 3ab4 s VAL 47 Cb -0.34 -1.06 0.03 0.00 0.00 0.00 0.00 36.38 35.01 3ab4 s VAL 47 CO 0.42 0.27 0.30 -0.22 0.00 0.00 0.00 175.10 175.87 3ab4 s LEU 48 N -0.58 0.77 -0.06 3.92 0.20 -0.01 -5.00 118.68 117.92 3ab4 s LEU 48 Ca 0.05 0.60 0.05 0.00 0.69 0.00 0.00 54.13 55.53 3ab4 s LEU 48 Cb -0.07 1.00 -0.02 0.00 -0.43 0.00 0.00 46.19 46.68 3ab4 s LEU 48 CO -0.00 -0.11 -0.21 -1.58 -0.29 0.00 0.00 176.35 174.16 3ab4 s GLN 49 N 0.34 2.60 1.08 1.98 0.74 -1.26 -0.86 119.66 124.27 3ab4 s GLN 49 Ca -0.01 -0.82 -0.13 0.00 0.05 0.00 0.00 55.36 54.44 3ab4 s GLN 49 Cb -0.03 -2.27 0.23 0.00 1.10 0.00 0.00 33.01 32.04 3ab4 s GLN 49 CO -0.01 0.45 1.07 1.21 -0.55 0.00 0.00 175.29 177.45 3ab4 s ASN 50 N -0.30 1.88 1.23 6.67 2.47 -0.84 -5.02 114.94 121.04 3ab4 s ASN 50 Ca 0.01 1.23 -0.17 0.00 0.42 0.00 0.00 52.86 54.35 3ab4 s ASN 50 Cb -0.13 -1.92 0.30 0.00 -1.45 0.00 0.00 41.25 38.05 3ab4 s ASN 50 CO 0.03 -3.60 1.03 0.68 -3.72 0.00 0.00 177.10 171.52 3ab4 s VAL 51 N -2.80 1.66 -0.04 -5.21 -7.23 -1.26 -4.78 120.40 100.74 3ab4 s VAL 51 Ca 0.67 0.00 -0.20 0.00 -1.81 0.00 0.00 61.98 60.63 3ab4 s VAL 51 Cb -0.20 -2.26 -0.05 0.00 0.56 0.00 0.00 36.38 34.43 3ab4 s VAL 51 CO 0.60 0.00 0.59 0.12 -0.31 0.00 0.00 175.10 176.09 3ab4 s PHE 52 N -2.64 3.63 -0.27 2.82 5.36 -1.26 -4.57 117.98 121.04 3ab4 s PHE 52 Ca 0.69 1.14 -0.19 0.00 -0.96 0.00 0.00 56.93 57.61 3ab4 s PHE 52 Cb -0.16 -2.62 -0.02 0.00 -0.34 0.00 0.00 43.02 39.87 3ab4 s PHE 52 CO 0.59 0.28 0.56 -1.12 -1.46 0.00 0.00 175.22 174.07 3ab4 s SER 53 N 0.12 6.47 0.16 6.13 0.01 -0.42 -4.93 113.70 121.23 3ab4 s SER 53 Ca 0.31 0.51 -0.16 0.00 1.31 0.00 0.00 55.95 57.93 3ab4 s SER 53 Cb -0.17 -2.30 0.03 0.00 0.21 0.00 0.00 66.02 63.79 3ab4 s SER 53 CO 0.16 -0.35 1.81 0.58 0.41 0.00 0.00 173.24 175.85 3ab4 h VAL 54 N 5.44 1.09 0.86 3.43 2.07 -1.97 0.22 116.25 127.39 3ab4 h VAL 54 Ca -0.28 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.01 3ab4 h VAL 54 Cb 1.13 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 3ab4 h VAL 54 CO 0.74 0.10 -0.48 -0.33 0.02 0.00 0.00 177.57 177.62 3ab4 h GLU 55 N 0.55 -1.20 0.00 1.57 3.07 -1.95 -2.91 114.58 113.70 3ab4 h GLU 55 Ca 0.16 0.08 -0.11 0.00 -0.50 0.00 0.00 59.36 58.99 3ab4 h GLU 55 Cb -0.04 0.27 -0.02 0.00 -0.84 0.00 0.00 28.75 28.13 3ab4 h GLU 55 CO -0.05 -0.80 -0.54 -0.44 -1.40 0.00 0.00 179.01 175.78 3ab4 h ASP 56 N -1.24 0.00 -3.39 1.42 3.32 -1.99 -3.47 116.42 111.07 3ab4 h ASP 56 Ca -0.12 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.74 3ab4 h ASP 56 Cb 0.98 0.00 0.07 0.00 0.22 0.00 0.00 39.33 40.60 3ab4 h ASP 56 CO 0.15 0.54 -0.33 0.61 -1.72 0.00 0.00 179.24 178.48 3ab4 n GLY 57 N 0.45 0.22 3.83 2.75 0.00 0.05 -5.01 105.19 107.47 3ab4 n GLY 57 Ca -0.00 -0.22 -0.08 0.00 0.00 0.00 0.00 46.02 45.72 3ab4 n GLY 57 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3ab4 s THR 58 N -3.16 0.00 0.25 2.61 -1.32 -1.10 -4.63 115.64 108.29 3ab4 s THR 58 Ca 0.28 -0.99 -0.00 0.00 -1.21 0.00 0.00 61.69 59.77 3ab4 s THR 58 Cb -0.13 -2.52 -0.03 0.00 -1.51 0.00 0.00 72.50 68.31 3ab4 s THR 58 CO 0.36 0.00 0.22 0.28 -2.21 0.00 0.00 174.62 173.27 3ab4 s THR 59 N -2.96 0.00 0.23 5.08 -1.32 -0.33 -1.30 115.64 115.04 3ab4 s THR 59 Ca 0.14 -1.92 0.09 0.00 -1.21 0.00 0.00 61.69 58.79 3ab4 s THR 59 Cb -0.05 -2.48 -0.05 0.00 -1.51 0.00 0.00 72.50 68.41 3ab4 s THR 59 CO 0.09 0.00 -0.16 -1.81 -2.21 0.00 0.00 174.62 170.53 3ab4 s ASP 60 N -3.20 2.86 -0.01 8.08 1.01 -1.26 -0.29 116.67 123.85 3ab4 s ASP 60 Ca 0.37 -1.02 0.01 0.00 0.71 0.00 0.00 52.55 52.62 3ab4 s ASP 60 Cb 0.05 -0.18 0.01 0.00 1.01 0.00 0.00 42.92 43.80 3ab4 s ASP 60 CO 0.16 -0.11 -0.02 -0.63 0.21 0.00 0.00 175.17 174.79 3ab4 s ILE 61 N -2.83 0.20 0.06 0.77 1.01 0.11 -1.99 121.20 118.53 3ab4 s ILE 61 Ca 0.24 -0.04 0.08 0.00 0.00 0.00 0.00 60.65 60.94 3ab4 s ILE 61 Cb -0.02 -0.22 -0.03 0.00 0.01 0.00 0.00 42.46 42.20 3ab4 s ILE 61 CO 0.09 0.09 -0.22 -0.89 0.00 0.00 0.00 174.94 174.01 3ab4 s THR 62 N 0.35 1.79 0.13 2.92 2.01 -0.04 0.13 115.64 122.94 3ab4 s THR 62 Ca -0.03 -1.31 -0.01 0.00 0.31 0.00 0.00 61.69 60.64 3ab4 s THR 62 Cb -0.06 -1.56 -0.04 0.00 0.01 0.00 0.00 72.50 70.85 3ab4 s THR 62 CO -0.01 0.19 0.07 0.72 -0.69 0.00 0.00 174.62 174.90 3ab4 s PHE 63 N -0.86 0.84 0.30 4.92 -0.12 -0.05 -0.83 117.98 122.16 3ab4 s PHE 63 Ca 0.08 -1.21 0.10 0.00 -0.05 0.00 0.00 56.93 55.85 3ab4 s PHE 63 Cb -0.09 -0.46 -0.06 0.00 -0.63 0.00 0.00 43.02 41.78 3ab4 s PHE 63 CO 0.02 -0.53 -0.14 0.95 -0.05 0.00 0.00 175.22 175.48 3ab4 s THR 64 N -4.04 2.21 0.19 -4.49 -4.23 -0.02 -0.86 115.64 104.40 3ab4 s THR 64 Ca 0.24 -2.28 -0.23 0.00 -1.18 0.00 0.00 61.69 58.23 3ab4 s THR 64 Cb 0.07 -2.42 0.06 0.00 1.34 0.00 0.00 72.50 71.55 3ab4 s THR 64 CO 0.02 -0.33 0.94 0.00 -0.54 0.00 0.00 174.62 174.71 3ab4 s PRO 66 N -3.01 3.66 0.56 0.00 0.02 -1.26 -0.86 135.00 134.10 3ab4 s PRO 66 Ca 0.15 2.23 0.26 0.00 0.02 0.00 0.00 61.00 63.65 3ab4 s PRO 66 Cb -0.02 -2.57 1.48 0.00 0.02 0.00 0.00 34.50 33.40 3ab4 s PRO 66 CO 0.04 -0.77 2.04 0.00 -0.33 0.00 0.00 177.00 177.98 3ab4 h ARG 67 N 2.22 0.00 0.00 5.54 3.08 -1.67 -0.13 114.38 123.41 3ab4 h ARG 67 Ca -0.50 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.52 3ab4 h ARG 67 Cb 1.27 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.31 3ab4 h ARG 67 CO 0.61 0.00 -0.14 0.66 -1.07 0.00 0.00 179.97 180.03 3ab4 h SER 68 N 0.00 0.00 -0.01 7.04 4.64 -1.90 -3.08 113.55 120.23 3ab4 h SER 68 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3ab4 h SER 68 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 3ab4 h SER 68 CO -0.00 0.14 -0.36 0.47 -0.87 0.00 0.00 176.83 176.21 3ab4 n ASP 69 N -3.52 1.55 0.05 4.97 10.43 -0.15 -4.77 116.55 125.12 3ab4 n ASP 69 Ca -0.01 -1.28 -0.13 0.00 2.57 0.00 0.00 54.79 55.95 3ab4 n ASP 69 Cb 0.28 0.51 -0.08 0.00 1.84 0.00 0.00 41.12 43.67 3ab4 n ASP 69 CO 0.00 0.00 0.00 1.23 -1.07 0.00 0.00 177.20 177.36 3ab4 h GLY 70 N 3.44 -1.19 0.70 0.44 0.00 -1.24 -0.75 103.07 104.47 3ab4 h GLY 70 Ca 0.00 0.65 0.03 0.00 0.00 0.00 0.00 47.33 48.01 3ab4 h GLY 70 CO 0.00 -0.30 0.00 0.07 0.00 0.00 0.00 176.54 176.31 3ab4 h ARG 71 N -0.55 0.07 -0.97 4.80 -0.00 -1.86 -1.52 114.38 114.35 3ab4 h ARG 71 Ca 0.01 -0.00 0.13 0.00 -0.00 0.00 0.00 59.98 60.11 3ab4 h ARG 71 Cb 0.58 -0.02 -0.08 0.00 -0.00 0.00 0.00 29.97 30.45 3ab4 h ARG 71 CO -0.27 0.04 0.61 -0.09 -0.00 0.00 0.00 179.97 180.26 3ab4 h ARG 72 N 0.07 0.87 0.47 0.08 2.43 -1.86 0.55 114.38 116.99 3ab4 h ARG 72 Ca 0.09 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 3ab4 h ARG 72 Cb 0.12 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 3ab4 h ARG 72 CO -0.16 0.58 -0.23 0.00 -1.51 0.00 0.00 179.97 178.65 3ab4 h ALA 73 N 1.56 -0.63 -0.62 2.80 0.00 -0.31 -1.31 119.26 120.75 3ab4 h ALA 73 Ca 0.48 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 55.31 3ab4 h ALA 73 Cb 0.57 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.54 3ab4 h ALA 73 CO -0.25 -0.80 0.28 1.98 0.00 0.00 0.00 179.25 180.46 3ab4 h MET 74 N -0.75 0.49 0.36 0.00 1.85 -0.56 -2.48 114.93 113.84 3ab4 h MET 74 Ca -0.06 -0.03 -0.01 0.00 -0.61 0.00 0.00 59.70 58.98 3ab4 h MET 74 Cb 0.54 -0.11 -0.00 0.00 0.43 0.00 0.00 31.60 32.46 3ab4 h MET 74 CO 0.11 0.32 -0.20 0.93 -0.40 0.00 0.00 176.91 177.67 3ab4 h GLU 75 N 0.50 -0.51 -0.98 0.39 3.07 0.15 -1.27 114.58 115.92 3ab4 h GLU 75 Ca 0.30 0.03 0.22 0.00 -0.50 0.00 0.00 59.36 59.42 3ab4 h GLU 75 Cb 0.31 0.12 -0.09 0.00 -0.84 0.00 0.00 28.75 28.24 3ab4 h GLU 75 CO -0.25 -0.34 0.63 0.82 -1.40 0.00 0.00 179.01 178.47 3ab4 h ILE 76 N -0.53 0.62 0.22 3.13 5.03 -1.05 -1.10 117.51 123.84 3ab4 h ILE 76 Ca -0.04 -0.17 -0.33 0.00 -0.12 0.00 0.00 64.86 64.19 3ab4 h ILE 76 Cb 0.42 0.08 0.03 0.00 -3.03 0.00 0.00 36.82 34.32 3ab4 h ILE 76 CO 0.06 0.09 -1.50 -0.07 -0.68 0.00 0.00 178.15 176.05 3ab4 h LEU 77 N 0.50 0.74 -0.42 1.44 4.07 -1.08 -3.31 115.31 117.25 3ab4 h LEU 77 Ca 0.55 -0.84 -0.15 0.00 0.08 0.00 0.00 57.88 57.52 3ab4 h LEU 77 Cb 1.23 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.72 3ab4 h LEU 77 CO -0.28 1.67 -0.32 0.11 -1.08 0.00 0.00 178.44 178.54 3ab4 h LYS 78 N 0.13 0.96 -5.34 1.13 6.56 -1.05 -2.55 116.57 116.41 3ab4 h LYS 78 Ca -0.26 -0.47 -0.70 0.00 -1.06 0.00 0.00 60.65 58.16 3ab4 h LYS 78 Cb 2.13 -0.00 -0.13 0.00 -0.57 0.00 0.00 32.23 33.66 3ab4 h LYS 78 CO 0.25 1.13 1.72 0.21 -2.06 0.00 0.00 179.45 180.70 3ab4 s LYS 79 N -4.50 3.99 0.00 3.15 2.20 -0.43 -2.06 119.74 122.09 3ab4 s LYS 79 Ca -0.11 -2.20 0.00 0.00 -0.36 0.00 0.00 55.97 53.30 3ab4 s LYS 79 Cb 0.11 -5.29 0.00 0.00 -1.51 0.00 0.00 37.83 31.15 3ab4 s LYS 79 CO 0.88 -2.01 0.00 -0.11 -0.36 0.00 0.00 175.35 173.75 3ab4 n LEU 80 N 7.10 0.00 -0.22 5.43 7.94 -1.26 -4.78 117.00 131.22 3ab4 n LEU 80 Ca 0.41 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 55.26 3ab4 n LEU 80 Cb 0.45 0.00 0.05 0.00 0.53 0.00 0.00 43.42 44.45 3ab4 n LEU 80 CO 0.68 0.00 1.12 -0.61 -1.11 0.00 0.00 177.39 177.47 3ab4 h GLN 81 N 0.00 0.77 -5.82 1.96 4.15 -0.97 -3.27 115.11 111.94 3ab4 h GLN 81 Ca 0.00 -0.05 -0.51 0.00 0.77 0.00 0.00 58.65 58.87 3ab4 h GLN 81 Cb 0.00 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 27.51 3ab4 h GLN 81 CO 0.00 0.51 1.52 0.14 -1.93 0.00 0.00 178.83 179.07 3ab4 s VAL 82 N -6.14 3.11 -0.30 2.39 -7.23 -1.22 -1.05 120.40 109.97 3ab4 s VAL 82 Ca -0.13 0.09 -0.01 0.00 -1.81 0.00 0.00 61.98 60.11 3ab4 s VAL 82 Cb 0.14 -3.24 0.00 0.00 0.56 0.00 0.00 36.38 33.84 3ab4 s VAL 82 CO 0.76 -0.21 0.30 0.00 -0.31 0.00 0.00 175.10 175.63 3ab4 n GLN 83 N 8.94 -0.66 -2.03 4.82 0.00 -1.26 -5.06 117.38 122.12 3ab4 n GLN 83 Ca 0.31 0.99 -0.02 0.00 0.00 0.00 0.00 57.00 58.27 3ab4 n GLN 83 Cb 0.52 -3.35 0.01 0.00 0.00 0.00 0.00 30.24 27.42 3ab4 n GLN 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3ab4 n GLY 84 N -1.16 1.48 1.67 2.61 0.00 -0.21 -4.89 105.19 104.68 3ab4 n GLY 84 Ca 0.01 -1.07 -0.14 0.00 0.00 0.00 0.00 46.02 44.83 3ab4 n GLY 84 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ab4 n ASN 85 N -1.08 3.76 -3.47 1.61 4.13 -1.26 -4.99 115.26 113.96 3ab4 n ASN 85 Ca -0.02 -3.65 -0.13 0.00 1.68 0.00 0.00 54.58 52.46 3ab4 n ASN 85 Cb 0.20 -0.40 -0.03 0.00 -1.54 0.00 0.00 39.78 38.01 3ab4 n ASN 85 CO 0.00 0.00 0.00 -1.66 0.28 0.00 0.00 177.26 175.88 3ab4 s TRP 86 N -3.43 -0.53 0.01 3.10 -2.14 -1.26 -4.40 118.94 110.29 3ab4 s TRP 86 Ca 0.46 0.55 -0.25 0.00 2.66 0.00 0.00 56.10 59.52 3ab4 s TRP 86 Cb 0.39 0.51 -0.16 0.00 -3.10 0.00 0.00 33.47 31.11 3ab4 s TRP 86 CO 0.00 -0.70 1.19 1.15 -2.66 0.00 0.00 176.95 175.93 3ab4 h THR 87 N 2.31 0.56 -2.79 0.66 2.02 0.47 -3.48 112.91 112.66 3ab4 h THR 87 Ca -0.29 -0.56 0.04 0.00 0.77 0.00 0.00 66.41 66.37 3ab4 h THR 87 Cb 1.24 0.81 -0.00 0.00 -1.74 0.00 0.00 68.15 68.46 3ab4 h THR 87 CO 0.37 0.09 0.38 -0.46 0.37 0.00 0.00 175.52 176.27 3ab4 n ASN 88 N -5.17 -2.02 -3.84 4.18 0.23 -1.24 -5.00 115.26 102.40 3ab4 n ASN 88 Ca -0.10 -2.29 -0.28 0.00 -0.53 0.00 0.00 54.58 51.39 3ab4 n ASN 88 Cb 0.28 3.33 -0.16 0.00 -2.08 0.00 0.00 39.78 41.15 3ab4 n ASN 88 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3ab4 s VAL 89 N -2.11 0.91 0.44 3.53 0.11 -1.26 -1.96 120.40 120.06 3ab4 s VAL 89 Ca 0.18 -0.59 -0.08 0.00 -2.93 0.00 0.00 61.98 58.56 3ab4 s VAL 89 Cb -0.04 -1.19 -0.05 0.00 -1.53 0.00 0.00 36.38 33.57 3ab4 s VAL 89 CO 0.09 0.03 0.78 -0.76 -3.33 0.00 0.00 175.10 171.91 3ab4 s LEU 90 N 1.71 3.74 0.04 2.54 1.43 -0.56 -4.92 118.68 122.66 3ab4 s LEU 90 Ca 0.00 1.05 0.01 0.00 -1.03 0.00 0.00 54.13 54.17 3ab4 s LEU 90 Cb -0.16 -3.96 -0.03 0.00 0.03 0.00 0.00 46.19 42.07 3ab4 s LEU 90 CO -0.07 -0.47 -0.06 -0.47 0.23 0.00 0.00 176.35 175.50 3ab4 s TYR 91 N -2.53 0.58 -0.25 0.29 5.04 -1.26 -1.65 117.35 117.58 3ab4 s TYR 91 Ca 0.50 -0.56 -0.07 0.00 -2.44 0.00 0.00 57.07 54.49 3ab4 s TYR 91 Cb -0.10 -0.36 0.12 0.00 0.35 0.00 0.00 41.96 41.97 3ab4 s TYR 91 CO 0.37 -0.13 0.52 0.34 -1.34 0.00 0.00 175.55 175.32 3ab4 s ASP 92 N -1.72 -0.67 -0.25 4.32 3.68 -0.65 -5.01 116.67 116.36 3ab4 s ASP 92 Ca -0.09 1.16 0.10 0.00 2.13 0.00 0.00 52.55 55.85 3ab4 s ASP 92 Cb -0.08 1.79 0.47 0.00 -1.45 0.00 0.00 42.92 43.65 3ab4 s ASP 92 CO -0.01 -0.23 1.37 -0.90 0.13 0.00 0.00 175.17 175.52 3ab4 n ASP 93 N 5.42 2.23 -0.80 -0.34 3.85 -1.26 -1.45 116.55 124.19 3ab4 n ASP 93 Ca -0.09 -3.78 0.06 0.00 -0.71 0.00 0.00 54.79 50.27 3ab4 n ASP 93 Cb 0.49 -0.59 0.14 0.00 -1.35 0.00 0.00 41.12 39.81 3ab4 n ASP 93 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3ab4 n GLN 94 N -1.12 1.03 -3.91 0.11 6.02 -1.26 -4.96 117.38 113.29 3ab4 n GLN 94 Ca 0.27 -2.76 -0.36 0.00 -0.01 0.00 0.00 57.00 54.14 3ab4 n GLN 94 Cb 0.90 -1.09 -0.06 0.00 1.02 0.00 0.00 30.24 31.00 3ab4 n GLN 94 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3ab4 s VAL 95 N -2.13 5.42 -0.04 5.09 1.01 -1.26 -1.67 120.40 126.82 3ab4 s VAL 95 Ca 0.35 0.08 0.07 0.00 0.00 0.00 0.00 61.98 62.47 3ab4 s VAL 95 Cb 0.35 -3.41 -0.01 0.00 0.00 0.00 0.00 36.38 33.31 3ab4 s VAL 95 CO -0.09 0.53 -0.25 -0.83 0.00 0.00 0.00 175.10 174.47 3ab4 s GLY 96 N -1.28 1.25 -0.16 4.51 0.00 -0.66 -4.54 107.32 106.44 3ab4 s GLY 96 Ca 0.18 -1.04 -0.12 0.00 0.00 0.00 0.00 44.72 43.74 3ab4 s GLY 96 CO 0.08 -0.73 0.24 1.25 0.00 0.00 0.00 173.10 173.95 3ab4 s LYS 97 N -0.31 4.13 -0.12 2.90 2.20 0.65 -1.25 119.74 127.94 3ab4 s LYS 97 Ca 0.01 0.01 0.01 0.00 -0.36 0.00 0.00 55.97 55.65 3ab4 s LYS 97 Cb -0.12 -3.39 0.02 0.00 -1.51 0.00 0.00 37.83 32.83 3ab4 s LYS 97 CO 0.02 0.34 -0.15 0.08 -0.36 0.00 0.00 175.35 175.28 3ab4 s VAL 98 N 0.19 1.50 0.07 4.02 1.01 -0.50 -0.24 120.40 126.45 3ab4 s VAL 98 Ca 0.15 -0.63 0.09 0.00 0.00 0.00 0.00 61.98 61.59 3ab4 s VAL 98 Cb -0.13 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 3ab4 s VAL 98 CO 0.03 0.44 -0.25 -0.44 0.00 0.00 0.00 175.10 174.88 3ab4 s SER 99 N 1.11 2.98 -0.34 3.32 0.01 -0.46 -1.27 113.70 119.06 3ab4 s SER 99 Ca -0.04 -0.61 -0.01 0.00 1.31 0.00 0.00 55.95 56.60 3ab4 s SER 99 Cb -0.14 -0.24 0.08 0.00 0.21 0.00 0.00 66.02 65.92 3ab4 s SER 99 CO -0.04 0.20 0.06 -0.22 0.41 0.00 0.00 173.24 173.66 3ab4 s LEU 100 N -1.44 4.44 0.22 2.44 2.96 -0.12 -1.69 118.68 125.48 3ab4 s LEU 100 Ca 0.11 -1.67 -0.30 0.00 -0.22 0.00 0.00 54.13 52.05 3ab4 s LEU 100 Cb -0.10 -1.72 -0.08 0.00 0.50 0.00 0.00 46.19 44.79 3ab4 s LEU 100 CO 0.03 -0.36 1.06 -0.69 -1.32 0.00 0.00 176.35 175.06 3ab4 s VAL 101 N 1.15 3.82 0.00 1.68 1.01 0.49 -2.44 120.40 126.10 3ab4 s VAL 101 Ca 0.01 1.70 0.00 0.00 0.00 0.00 0.00 61.98 63.69 3ab4 s VAL 101 Cb -0.21 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.09 3ab4 s VAL 101 CO -0.03 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.03 3ab4 n GLY 102 N 1.66 3.07 3.28 4.51 0.00 0.15 -1.69 105.19 116.16 3ab4 n GLY 102 Ca 0.00 -0.53 0.03 0.00 0.00 0.00 0.00 46.02 45.52 3ab4 n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ab4 s ALA 103 N -1.00 -2.98 0.00 4.61 0.00 -1.25 -4.54 121.76 116.60 3ab4 s ALA 103 Ca 0.00 1.80 0.00 0.00 0.00 0.00 0.00 51.96 53.76 3ab4 s ALA 103 Cb 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 23.12 20.88 3ab4 s ALA 103 CO 0.00 -1.17 0.00 0.41 0.00 0.00 0.00 175.76 175.00 3ab4 n GLY 104 N 5.16 0.65 0.07 0.00 0.00 -1.00 -4.66 105.19 105.40 3ab4 n GLY 104 Ca -0.08 -0.15 0.11 0.00 0.00 0.00 0.00 46.02 45.91 3ab4 n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3ab4 n MET 105 N -0.23 0.51 -0.82 1.61 2.00 -0.95 -4.91 117.12 114.33 3ab4 n MET 105 Ca 0.00 0.03 -0.31 0.00 0.00 0.00 0.00 57.70 57.43 3ab4 n MET 105 Cb 0.14 -1.71 -0.04 0.00 0.00 0.00 0.00 33.22 31.61 3ab4 n MET 105 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 175.97 176.33 3ab4 n LYS 106 N -2.38 1.48 0.00 0.03 2.85 -1.26 -4.85 118.16 114.03 3ab4 n LYS 106 Ca 0.00 -1.50 0.00 0.00 -1.05 0.00 0.00 58.31 55.76 3ab4 n LYS 106 Cb 0.52 -2.61 0.00 0.00 -0.65 0.00 0.00 35.03 32.29 3ab4 n LYS 106 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 3ab4 n PRO 109 N 5.75 0.00 0.03 -1.58 -0.05 -1.26 -5.13 135.00 132.75 3ab4 n PRO 109 Ca 0.43 0.00 0.09 0.00 -0.05 0.00 0.00 63.50 63.96 3ab4 n PRO 109 Cb 0.26 0.00 0.51 0.00 -0.05 0.00 0.00 33.50 34.22 3ab4 n PRO 109 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 175.50 176.23 3ab4 h GLY 110 N 0.00 0.42 0.68 0.55 0.00 -2.00 -2.87 103.07 99.86 3ab4 h GLY 110 Ca 0.00 -0.14 0.04 0.00 0.00 0.00 0.00 47.33 47.23 3ab4 h GLY 110 CO 0.00 0.12 0.12 -2.08 0.00 0.00 0.00 176.54 174.69 3ab4 h VAL 111 N 0.35 0.89 -0.04 4.60 2.07 -1.98 -0.82 116.25 121.32 3ab4 h VAL 111 Ca 0.17 -0.09 -0.11 0.00 0.82 0.00 0.00 66.70 67.49 3ab4 h VAL 111 Cb 0.23 0.61 0.01 0.00 -1.52 0.00 0.00 31.29 30.61 3ab4 h VAL 111 CO -0.04 0.05 -0.41 0.71 0.02 0.00 0.00 177.57 177.89 3ab4 h THR 112 N 0.26 1.44 -0.90 2.57 1.35 -1.89 0.79 112.91 116.53 3ab4 h THR 112 Ca 0.16 -1.88 0.07 0.00 -0.55 0.00 0.00 66.41 64.21 3ab4 h THR 112 Cb 0.14 2.46 -0.06 0.00 -1.73 0.00 0.00 68.15 68.97 3ab4 h THR 112 CO -0.17 0.54 0.58 0.00 -0.25 0.00 0.00 175.52 176.22 3ab4 h ALA 113 N 0.37 1.53 0.03 6.62 0.00 -1.49 -1.00 119.26 125.32 3ab4 h ALA 113 Ca -0.04 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.63 3ab4 h ALA 113 Cb 1.10 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3ab4 h ALA 113 CO 0.08 0.33 -1.04 0.93 0.00 0.00 0.00 179.25 179.56 3ab4 h GLU 114 N 1.00 0.09 -0.29 0.00 5.08 -1.07 -0.29 114.58 119.10 3ab4 h GLU 114 Ca 0.39 -0.14 0.06 0.00 -1.00 0.00 0.00 59.36 58.67 3ab4 h GLU 114 Cb 0.22 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.46 3ab4 h GLU 114 CO -0.15 1.04 -0.11 0.35 -1.00 0.00 0.00 179.01 179.14 3ab4 h PHE 115 N 0.03 -0.27 -0.81 4.33 3.57 -0.46 -0.86 116.94 122.47 3ab4 h PHE 115 Ca -0.05 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 3ab4 h PHE 115 Cb 1.77 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 40.64 3ab4 h PHE 115 CO 0.02 -0.18 0.45 0.52 -2.23 0.00 0.00 178.31 176.89 3ab4 h MET 116 N -0.06 1.12 -0.77 1.11 2.86 -0.92 -2.85 114.93 115.41 3ab4 h MET 116 Ca 0.15 -0.13 -0.05 0.00 -2.06 0.00 0.00 59.70 57.61 3ab4 h MET 116 Cb 0.29 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 3ab4 h MET 116 CO -0.33 0.82 0.28 0.93 1.06 0.00 0.00 176.91 179.67 3ab4 h GLU 117 N 1.12 1.17 -0.49 1.72 5.08 -0.70 -2.12 114.58 120.36 3ab4 h GLU 117 Ca 0.28 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 3ab4 h GLU 117 Cb 0.02 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 3ab4 h GLU 117 CO -0.05 0.97 0.13 0.00 -1.00 0.00 0.00 179.01 179.06 3ab4 h ALA 118 N 1.15 1.31 -0.14 3.43 0.00 -0.94 -1.28 119.26 122.79 3ab4 h ALA 118 Ca 0.25 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 3ab4 h ALA 118 Cb 0.25 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3ab4 h ALA 118 CO -0.02 0.49 -0.38 -0.07 0.00 0.00 0.00 179.25 179.27 3ab4 h LEU 119 N 0.72 0.57 0.06 0.00 3.38 -1.33 -2.77 115.31 115.94 3ab4 h LEU 119 Ca 0.16 -0.59 0.02 0.00 0.09 0.00 0.00 57.88 57.57 3ab4 h LEU 119 Cb 0.25 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3ab4 h LEU 119 CO -0.01 1.06 -0.20 -0.09 0.09 0.00 0.00 178.44 179.30 3ab4 h ARG 120 N 0.12 -0.34 0.00 1.13 2.43 -1.27 -0.31 114.38 116.14 3ab4 h ARG 120 Ca -0.01 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3ab4 h ARG 120 Cb 1.00 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.62 3ab4 h ARG 120 CO 0.08 -0.23 -0.02 -0.44 -1.51 0.00 0.00 179.97 177.85 3ab4 h ASP 121 N -0.36 0.00 -0.61 -3.80 3.32 -1.29 0.28 116.42 113.97 3ab4 h ASP 121 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3ab4 h ASP 121 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.95 3ab4 h ASP 121 CO -0.14 0.02 0.00 0.55 -1.72 0.00 0.00 179.24 177.95 3ab4 n VAL 122 N -3.36 0.80 -3.28 -1.35 3.14 -1.05 -4.99 118.33 108.24 3ab4 n VAL 122 Ca -0.02 -0.90 -0.16 0.00 -2.96 0.00 0.00 64.34 60.30 3ab4 n VAL 122 Cb 0.12 0.70 0.08 0.00 -1.06 0.00 0.00 33.84 33.68 3ab4 n VAL 122 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 3ab4 n ASN 123 N 1.62 -2.77 -4.37 6.55 2.85 0.98 -4.97 115.26 115.15 3ab4 n ASN 123 Ca 0.23 -0.52 -0.30 0.00 -0.11 0.00 0.00 54.58 53.88 3ab4 n ASN 123 Cb 0.62 -4.48 -0.14 0.00 1.24 0.00 0.00 39.78 37.02 3ab4 n ASN 123 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 3ab4 s VAL 124 N -3.30 2.24 -0.24 3.44 -7.23 -0.22 -5.02 120.40 110.07 3ab4 s VAL 124 Ca 0.10 -1.51 -0.09 0.00 -1.81 0.00 0.00 61.98 58.67 3ab4 s VAL 124 Cb -0.04 -1.92 -0.04 0.00 0.56 0.00 0.00 36.38 34.93 3ab4 s VAL 124 CO 0.63 0.26 0.12 0.21 -0.31 0.00 0.00 175.10 176.01 3ab4 s ASN 125 N -1.56 5.76 -0.26 4.85 2.47 -1.26 -4.24 114.94 120.70 3ab4 s ASN 125 Ca 0.13 0.01 -0.25 0.00 0.42 0.00 0.00 52.86 53.16 3ab4 s ASN 125 Cb -0.10 -2.03 -0.00 0.00 -1.45 0.00 0.00 41.25 37.67 3ab4 s ASN 125 CO 0.04 0.05 0.87 -0.63 -3.72 0.00 0.00 177.10 173.70 3ab4 s ILE 126 N 1.16 4.78 -0.24 -5.21 1.01 -1.26 -4.48 121.20 116.95 3ab4 s ILE 126 Ca 0.06 1.57 -0.18 0.00 0.00 0.00 0.00 60.65 62.11 3ab4 s ILE 126 Cb -0.14 -4.17 -0.15 0.00 0.01 0.00 0.00 42.46 38.01 3ab4 s ILE 126 CO 0.05 -0.15 -0.09 -0.62 0.00 0.00 0.00 174.94 174.13 3ab4 n GLU 127 N 6.15 0.58 -4.86 2.79 1.02 -0.55 -4.97 120.64 120.79 3ab4 n GLU 127 Ca 0.07 0.41 -0.29 0.00 -0.02 0.00 0.00 57.16 57.32 3ab4 n GLU 127 Cb 0.47 -1.61 -0.15 0.00 -0.02 0.00 0.00 31.44 30.14 3ab4 n GLU 127 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3ab4 s LEU 128 N -7.69 2.17 -0.02 -4.62 0.20 -1.06 -4.96 118.68 102.70 3ab4 s LEU 128 Ca -0.34 -0.58 0.02 0.00 0.69 0.00 0.00 54.13 53.92 3ab4 s LEU 128 Cb 0.11 -1.24 0.00 0.00 -0.43 0.00 0.00 46.19 44.63 3ab4 s LEU 128 CO 0.53 0.24 -0.06 -0.63 -0.29 0.00 0.00 176.35 176.15 3ab4 s ILE 129 N -0.81 0.50 -0.29 6.68 1.01 -1.26 -1.17 121.20 125.87 3ab4 s ILE 129 Ca 0.11 -0.22 -0.06 0.00 0.00 0.00 0.00 60.65 60.48 3ab4 s ILE 129 Cb -0.10 -0.46 0.15 0.00 0.01 0.00 0.00 42.46 42.06 3ab4 s ILE 129 CO 0.02 0.17 0.59 -0.55 0.00 0.00 0.00 174.94 175.17 3ab4 s SER 130 N 0.20 -1.05 0.14 3.58 0.15 -0.08 -5.01 113.70 111.63 3ab4 s SER 130 Ca -0.02 1.21 0.01 0.00 0.70 0.00 0.00 55.95 57.85 3ab4 s SER 130 Cb -0.06 2.09 -0.04 0.00 -1.71 0.00 0.00 66.02 66.29 3ab4 s SER 130 CO -0.00 -0.24 -0.01 0.42 1.20 0.00 0.00 173.24 174.61 3ab4 s THR 131 N 2.83 0.56 0.10 6.45 -4.23 -1.26 -1.42 115.64 118.68 3ab4 s THR 131 Ca 0.04 -1.95 -0.00 0.00 -1.18 0.00 0.00 61.69 58.60 3ab4 s THR 131 Cb -0.13 -1.98 0.00 0.00 1.34 0.00 0.00 72.50 71.73 3ab4 s THR 131 CO -0.19 -0.59 0.14 -1.54 -0.54 0.00 0.00 174.62 171.90 3ab4 n SER 132 N -0.16 -0.37 0.27 3.99 3.41 0.15 -4.98 113.62 115.93 3ab4 n SER 132 Ca -0.08 -1.58 0.13 0.00 -0.26 0.00 0.00 58.87 57.08 3ab4 n SER 132 Cb 0.63 0.71 0.76 0.00 -0.26 0.00 0.00 64.21 66.05 3ab4 n SER 132 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3ab4 h GLU 133 N 0.00 0.00 -0.01 4.33 5.08 -1.98 -3.23 114.58 118.77 3ab4 h GLU 133 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3ab4 h GLU 133 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3ab4 h GLU 133 CO 0.11 0.10 -0.04 0.44 -1.00 0.00 0.00 179.01 178.62 3ab4 n ILE 134 N -3.66 0.00 -3.67 3.13 -0.00 -1.26 -2.25 119.36 111.64 3ab4 n ILE 134 Ca -0.02 -0.48 -0.14 0.00 -0.00 0.00 0.00 62.75 62.11 3ab4 n ILE 134 Cb 0.21 1.19 -0.08 0.00 -0.00 0.00 0.00 39.64 40.96 3ab4 n ILE 134 CO 0.00 0.00 0.00 -0.60 -0.00 0.00 0.00 176.55 175.95 3ab4 s ARG 135 N -0.95 0.68 -0.30 6.28 3.52 -1.22 -0.67 118.95 126.30 3ab4 s ARG 135 Ca 0.11 0.79 0.03 0.00 -0.13 0.00 0.00 55.73 56.53 3ab4 s ARG 135 Cb 0.08 0.33 0.08 0.00 -1.56 0.00 0.00 34.95 33.89 3ab4 s ARG 135 CO 0.15 -0.09 -0.01 0.42 -0.81 0.00 0.00 175.30 174.97 3ab4 s ILE 136 N 0.27 2.03 -0.14 4.11 -1.09 -1.02 0.32 121.20 125.68 3ab4 s ILE 136 Ca -0.00 -1.90 -0.00 0.00 -2.23 0.00 0.00 60.65 56.51 3ab4 s ILE 136 Cb -0.04 -2.36 -0.01 0.00 -1.58 0.00 0.00 42.46 38.47 3ab4 s ILE 136 CO 0.01 -0.37 -0.13 -0.44 -1.23 0.00 0.00 174.94 172.78 3ab4 s SER 137 N 1.09 3.96 0.13 3.58 0.01 -0.51 -0.95 113.70 121.01 3ab4 s SER 137 Ca 0.03 -0.35 0.08 0.00 1.31 0.00 0.00 55.95 57.02 3ab4 s SER 137 Cb -0.19 -1.61 -0.04 0.00 0.21 0.00 0.00 66.02 64.40 3ab4 s SER 137 CO -0.08 0.15 -0.20 0.68 0.41 0.00 0.00 173.24 174.19 3ab4 s VAL 138 N 0.45 1.79 -0.15 3.43 -7.23 -0.40 -0.90 120.40 117.38 3ab4 s VAL 138 Ca -0.10 -1.69 -0.06 0.00 -1.81 0.00 0.00 61.98 58.32 3ab4 s VAL 138 Cb -0.16 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.06 3ab4 s VAL 138 CO 0.05 -0.14 0.07 -0.76 -0.31 0.00 0.00 175.10 174.00 3ab4 s LEU 139 N -2.19 3.90 0.00 1.32 1.43 -0.32 -1.40 118.68 121.42 3ab4 s LEU 139 Ca 0.10 0.18 0.05 0.00 -1.03 0.00 0.00 54.13 53.43 3ab4 s LEU 139 Cb -0.08 -1.96 -0.02 0.00 0.03 0.00 0.00 46.19 44.16 3ab4 s LEU 139 CO 0.05 0.27 0.17 2.30 0.23 0.00 0.00 176.35 179.37 3ab4 n ILE 140 N 2.91 0.00 -1.85 -0.59 -5.35 -0.38 -1.49 119.36 112.61 3ab4 n ILE 140 Ca -0.18 -2.47 -0.41 0.00 -0.27 0.00 0.00 62.75 59.42 3ab4 n ILE 140 Cb 0.53 0.94 -0.02 0.00 -1.74 0.00 0.00 39.64 39.36 3ab4 n ILE 140 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3ab4 s ARG 141 N -3.57 4.17 0.40 6.28 1.81 -1.26 -1.66 118.95 125.11 3ab4 s ARG 141 Ca 0.24 2.49 0.09 0.00 -1.72 0.00 0.00 55.73 56.84 3ab4 s ARG 141 Cb 0.01 -3.04 0.87 0.00 -0.45 0.00 0.00 34.95 32.34 3ab4 s ARG 141 CO 0.17 -0.56 1.99 1.05 -0.68 0.00 0.00 175.30 177.28 3ab4 h GLU 142 N 4.74 0.57 -0.93 3.54 4.11 -1.59 -1.34 114.58 123.68 3ab4 h GLU 142 Ca -0.47 -0.03 -0.00 0.00 0.07 0.00 0.00 59.36 58.92 3ab4 h GLU 142 Cb 1.22 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 30.30 3ab4 h GLU 142 CO 0.78 0.38 0.57 -0.44 0.07 0.00 0.00 179.01 180.37 3ab4 h ASP 143 N 0.59 1.10 0.58 3.06 3.32 -1.91 -1.97 116.42 121.20 3ab4 h ASP 143 Ca 0.26 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3ab4 h ASP 143 Cb 0.28 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3ab4 h ASP 143 CO -0.08 0.84 0.00 0.47 -1.72 0.00 0.00 179.24 178.75 3ab4 n ASP 144 N -4.36 0.00 -0.06 6.45 8.00 -0.52 -3.88 116.55 122.18 3ab4 n ASP 144 Ca 0.10 0.39 -0.08 0.00 0.71 0.00 0.00 54.79 55.92 3ab4 n ASP 144 Cb 0.05 -0.45 -0.02 0.00 -0.02 0.00 0.00 41.12 40.68 3ab4 n ASP 144 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3ab4 h LEU 145 N 0.00 -0.17 -0.01 0.64 5.85 -1.14 -2.12 115.31 118.37 3ab4 h LEU 145 Ca 0.00 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.81 3ab4 h LEU 145 Cb 0.29 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 3ab4 h LEU 145 CO 0.00 -0.05 -0.20 -0.78 -0.34 0.00 0.00 178.44 177.07 3ab4 h ASP 146 N 0.03 -0.60 0.90 1.25 1.82 -1.76 -2.76 116.42 115.32 3ab4 h ASP 146 Ca 0.12 0.09 -0.01 0.00 -0.39 0.00 0.00 57.03 56.84 3ab4 h ASP 146 Cb 0.17 0.25 -0.00 0.00 0.68 0.00 0.00 39.33 40.43 3ab4 h ASP 146 CO -0.23 -0.27 -0.03 0.00 -1.61 0.00 0.00 179.24 177.11 3ab4 h ALA 147 N 0.58 1.01 0.03 -0.78 0.00 -1.70 -3.26 119.26 115.14 3ab4 h ALA 147 Ca 0.06 -0.03 -0.34 0.00 0.00 0.00 0.00 54.91 54.61 3ab4 h ALA 147 Cb 0.40 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 3ab4 h ALA 147 CO -0.20 0.03 -2.06 0.00 0.00 0.00 0.00 179.25 177.03 3ab4 n ALA 148 N -2.11 1.36 -0.21 0.00 0.00 -0.83 -3.55 120.51 115.16 3ab4 n ALA 148 Ca 0.00 -0.93 -0.08 0.00 0.00 0.00 0.00 53.44 52.44 3ab4 n ALA 148 Cb 0.30 -0.53 0.03 0.00 0.00 0.00 0.00 19.45 19.24 3ab4 n ALA 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ab4 h ALA 149 N 0.66 0.79 -0.75 0.00 0.00 -1.54 -1.48 119.26 116.94 3ab4 h ALA 149 Ca -0.43 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.30 3ab4 h ALA 149 Cb 2.06 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 19.58 3ab4 h ALA 149 CO 0.04 0.46 0.48 0.00 0.00 0.00 0.00 179.25 180.24 3ab4 h ARG 150 N 0.86 0.91 -0.28 0.00 2.47 -1.72 0.48 114.38 117.09 3ab4 h ARG 150 Ca 0.19 -0.05 -0.07 0.00 -1.26 0.00 0.00 59.98 58.79 3ab4 h ARG 150 Cb 0.30 -0.21 -0.02 0.00 -1.65 0.00 0.00 29.97 28.40 3ab4 h ARG 150 CO -0.00 0.60 -0.13 0.00 0.56 0.00 0.00 179.97 181.00 3ab4 h ALA 151 N 1.31 1.26 -0.16 0.04 0.00 -1.54 -1.08 119.26 119.09 3ab4 h ALA 151 Ca 0.30 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3ab4 h ALA 151 Cb -0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3ab4 h ALA 151 CO -0.10 0.49 -0.02 1.37 0.00 0.00 0.00 179.25 180.98 3ab4 h LEU 152 N 0.44 0.29 -0.62 0.00 8.10 -0.65 -2.21 115.31 120.66 3ab4 h LEU 152 Ca 0.08 -0.34 0.08 0.00 0.11 0.00 0.00 57.88 57.81 3ab4 h LEU 152 Cb 0.49 -0.08 -0.06 0.00 -0.44 0.00 0.00 40.66 40.57 3ab4 h LEU 152 CO 0.03 0.56 0.28 0.45 -4.11 0.00 0.00 178.44 175.65 3ab4 h HIS 153 N 0.01 0.49 -0.00 0.17 -0.00 -0.70 -2.58 115.15 112.54 3ab4 h HIS 153 Ca 0.04 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.44 3ab4 h HIS 153 Cb 0.43 -0.13 0.00 0.00 -0.00 0.00 0.00 27.41 27.71 3ab4 h HIS 153 CO 0.04 0.18 -0.00 0.39 -0.00 0.00 0.00 177.93 178.54 3ab4 n GLU 154 N -4.92 0.60 -0.11 2.45 1.02 -0.43 -1.09 120.64 118.17 3ab4 n GLU 154 Ca 0.08 -0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.08 3ab4 n GLU 154 Cb 0.24 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 30.03 3ab4 n GLU 154 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 3ab4 n GLN 155 N -1.20 0.74 0.00 3.49 0.00 -0.84 -4.66 117.38 114.91 3ab4 n GLN 155 Ca 0.17 0.08 0.06 0.00 -0.00 0.00 0.00 57.00 57.31 3ab4 n GLN 155 Cb 0.20 -1.48 -0.06 0.00 0.00 0.00 0.00 30.24 28.90 3ab4 n GLN 155 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 3ab4 n PHE 156 N -2.99 0.00 0.00 3.69 3.72 -1.04 -5.01 117.46 115.82 3ab4 n PHE 156 Ca -0.38 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.02 3ab4 n PHE 156 Cb 1.02 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.56 3ab4 n PHE 156 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ab4 n GLN 157 N -1.16 0.00 0.00 -1.08 10.64 -0.25 -5.09 117.38 120.45 3ab4 n GLN 157 Ca 0.03 0.00 0.01 0.00 -1.83 0.00 0.00 57.00 55.21 3ab4 n GLN 157 Cb 0.21 0.00 0.06 0.00 -0.86 0.00 0.00 30.24 29.65 3ab4 n GLN 157 CO 0.00 0.00 0.00 1.47 -1.83 0.00 0.00 177.06 176.70