#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ab4 s VAL 5 N 0.00 1.65 -0.31 0.00 -7.23 0.07 -4.99 120.40 109.59 3ab4 s VAL 5 Ca 0.00 -1.37 0.02 0.00 -1.81 0.00 0.00 61.98 58.82 3ab4 s VAL 5 Cb 0.00 -1.47 0.09 0.00 0.56 0.00 0.00 36.38 35.56 3ab4 s VAL 5 CO 0.00 0.05 0.03 -0.76 -0.31 0.00 0.00 175.10 174.11 3ab4 s LEU 6 N -1.56 3.56 -0.01 1.32 1.43 -1.26 -1.14 118.68 121.01 3ab4 s LEU 6 Ca 0.06 -1.77 0.17 0.00 -1.03 0.00 0.00 54.13 51.57 3ab4 s LEU 6 Cb -0.09 -1.33 -0.19 0.00 0.03 0.00 0.00 46.19 44.61 3ab4 s LEU 6 CO 0.03 -0.35 0.63 0.35 0.23 0.00 0.00 176.35 177.24 3ab4 n THR 7 N 4.51 1.13 -1.94 5.49 -2.24 -0.36 -4.98 114.28 115.89 3ab4 n THR 7 Ca -0.02 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 3ab4 n THR 7 Cb 0.42 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 68.02 3ab4 n THR 7 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ab4 n GLY 8 N 1.46 -1.22 2.91 3.38 0.00 -1.17 -5.01 105.19 105.52 3ab4 n GLY 8 Ca -0.14 -0.90 -0.14 0.00 0.00 0.00 0.00 46.02 44.84 3ab4 n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ab4 s VAL 9 N -2.64 0.20 0.06 1.61 0.11 -1.26 -0.67 120.40 117.82 3ab4 s VAL 9 Ca 0.00 -0.09 0.06 0.00 -2.93 0.00 0.00 61.98 59.02 3ab4 s VAL 9 Cb 0.00 -0.19 -0.03 0.00 -1.53 0.00 0.00 36.38 34.64 3ab4 s VAL 9 CO 0.00 0.07 -0.18 0.00 -3.33 0.00 0.00 175.10 171.66 3ab4 s ALA 10 N 0.03 1.48 0.08 1.54 0.00 -0.19 -4.98 121.76 119.72 3ab4 s ALA 10 Ca 0.00 -1.00 0.08 0.00 0.00 0.00 0.00 51.96 51.04 3ab4 s ALA 10 Cb -0.02 -0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 3ab4 s ALA 10 CO -0.00 0.30 -0.20 0.95 0.00 0.00 0.00 175.76 176.80 3ab4 s THR 11 N -0.94 1.64 -0.15 0.00 -4.23 -1.26 -1.44 115.64 109.27 3ab4 s THR 11 Ca 0.04 -1.43 -0.07 0.00 -1.18 0.00 0.00 61.69 59.05 3ab4 s THR 11 Cb -0.09 -1.48 0.06 0.00 1.34 0.00 0.00 72.50 72.33 3ab4 s THR 11 CO 0.02 -0.01 0.34 -0.62 -0.54 0.00 0.00 174.62 173.81 3ab4 s ASP 12 N -1.70 -0.20 -0.15 3.99 3.68 0.08 -4.99 116.67 117.38 3ab4 s ASP 12 Ca 0.06 0.76 0.14 0.00 2.13 0.00 0.00 52.55 55.64 3ab4 s ASP 12 Cb -0.10 0.80 0.37 0.00 -1.45 0.00 0.00 42.92 42.54 3ab4 s ASP 12 CO 0.03 -0.21 1.18 2.29 0.13 0.00 0.00 175.17 178.60 3ab4 n LYS 13 N 4.76 1.19 -0.06 4.34 2.85 -1.26 -0.26 118.16 129.72 3ab4 n LYS 13 Ca -0.17 -2.81 0.12 0.00 -1.05 0.00 0.00 58.31 54.40 3ab4 n LYS 13 Cb 0.52 -1.29 0.14 0.00 -0.65 0.00 0.00 35.03 33.75 3ab4 n LYS 13 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 3ab4 n SER 14 N -0.89 3.14 -4.62 -5.58 3.41 -1.26 -4.97 113.62 102.84 3ab4 n SER 14 Ca 0.15 -1.99 -0.25 0.00 -0.26 0.00 0.00 58.87 56.52 3ab4 n SER 14 Cb 0.75 -0.08 -0.08 0.00 -0.26 0.00 0.00 64.21 64.54 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 -1.84 2.21 0.15 4.33 2.02 -1.26 -2.10 118.70 122.21 3ab4 s GLU 15 Ca 0.32 -1.35 0.05 0.00 0.02 0.00 0.00 54.97 54.01 3ab4 s GLU 15 Cb 0.21 -2.17 -0.04 0.00 0.10 0.00 0.00 34.13 32.23 3ab4 s GLU 15 CO 0.31 0.40 0.08 0.00 0.02 0.00 0.00 175.26 176.06 3ab4 s ALA 16 N -2.07 3.44 -0.01 5.21 0.00 -0.50 -4.37 121.76 123.45 3ab4 s ALA 16 Ca 0.29 -1.23 0.08 0.00 0.00 0.00 0.00 51.96 51.10 3ab4 s ALA 16 Cb -0.07 -1.25 -0.02 0.00 0.00 0.00 0.00 23.12 21.78 3ab4 s ALA 16 CO 0.18 0.54 -0.26 -1.59 0.00 0.00 0.00 175.76 174.63 3ab4 s LYS 17 N -2.91 2.07 -0.03 0.00 -2.85 -0.22 -2.29 119.74 113.51 3ab4 s LYS 17 Ca 0.29 -0.94 0.05 0.00 -1.00 0.00 0.00 55.97 54.37 3ab4 s LYS 17 Cb -0.10 -2.02 -0.01 0.00 -2.06 0.00 0.00 37.83 33.64 3ab4 s LYS 17 CO 0.21 0.55 -0.17 0.54 0.10 0.00 0.00 175.35 176.59 3ab4 s VAL 18 N -0.62 1.40 -0.14 1.79 0.11 -0.11 -1.28 120.40 121.55 3ab4 s VAL 18 Ca 0.10 -0.72 0.02 0.00 -2.93 0.00 0.00 61.98 58.45 3ab4 s VAL 18 Cb -0.10 -1.19 0.00 0.00 -1.53 0.00 0.00 36.38 33.56 3ab4 s VAL 18 CO -0.01 0.40 -0.20 -0.89 -3.33 0.00 0.00 175.10 171.07 3ab4 s THR 19 N -0.11 2.29 -0.38 5.04 2.01 -0.61 -0.97 115.64 122.92 3ab4 s THR 19 Ca -0.00 -0.91 -0.14 0.00 0.31 0.00 0.00 61.69 60.95 3ab4 s THR 19 Cb -0.10 -1.93 0.00 0.00 0.01 0.00 0.00 72.50 70.49 3ab4 s THR 19 CO 0.01 0.54 0.29 -0.69 -0.69 0.00 0.00 174.62 174.08 3ab4 s VAL 20 N 0.71 5.26 -0.01 3.82 1.01 0.97 -0.87 120.40 131.29 3ab4 s VAL 20 Ca -0.09 -0.40 -0.15 0.00 0.00 0.00 0.00 61.98 61.34 3ab4 s VAL 20 Cb -0.16 -3.83 -0.06 0.00 0.00 0.00 0.00 36.38 32.33 3ab4 s VAL 20 CO 0.01 -0.17 0.42 -0.76 0.00 0.00 0.00 175.10 174.60 3ab4 s LEU 21 N 1.75 4.46 -0.87 3.92 1.43 -0.51 -0.84 118.68 128.01 3ab4 s LEU 21 Ca 0.06 0.96 -0.05 0.00 -1.03 0.00 0.00 54.13 54.07 3ab4 s LEU 21 Cb -0.18 -2.61 0.01 0.00 0.03 0.00 0.00 46.19 43.44 3ab4 s LEU 21 CO 0.11 0.29 0.76 0.61 0.23 0.00 0.00 176.35 178.34 3ab4 n GLY 22 N 1.99 -0.02 3.77 -3.19 0.00 -0.09 -2.17 105.19 105.47 3ab4 n GLY 22 Ca -0.13 -0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.21 3.38 0.03 -0.61 1.01 0.68 -4.23 121.20 118.25 3ab4 s ILE 23 Ca 0.35 1.28 -0.30 0.00 0.00 0.00 0.00 60.65 61.98 3ab4 s ILE 23 Cb -0.16 -3.78 -0.06 0.00 0.01 0.00 0.00 42.46 38.47 3ab4 s ILE 23 CO 0.47 0.23 1.45 -0.94 0.00 0.00 0.00 174.94 176.15 3ab4 s SER 24 N -1.00 6.79 -1.25 3.58 1.04 -1.26 -0.92 113.70 120.68 3ab4 s SER 24 Ca 0.50 2.23 -0.17 0.00 0.48 0.00 0.00 55.95 58.98 3ab4 s SER 24 Cb -0.31 -2.57 -0.01 0.00 0.10 0.00 0.00 66.02 63.23 3ab4 s SER 24 CO 0.40 -0.74 2.04 -0.67 0.98 0.00 0.00 173.24 175.24 3ab4 n ASP 25 N 5.16 3.70 -4.00 7.02 -0.08 -1.25 -4.83 116.55 122.28 3ab4 n ASP 25 Ca 0.13 -2.81 -0.16 0.00 -1.51 0.00 0.00 54.79 50.45 3ab4 n ASP 25 Cb 0.43 -1.56 -0.14 0.00 2.34 0.00 0.00 41.12 42.19 3ab4 n ASP 25 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 3ab4 s LYS 26 N 4.09 0.52 0.48 -0.67 2.20 -1.26 -5.07 119.74 120.03 3ab4 s LYS 26 Ca 0.53 -0.34 -0.23 0.00 -0.36 0.00 0.00 55.97 55.57 3ab4 s LYS 26 Cb 0.11 -0.46 -0.09 0.00 -1.51 0.00 0.00 37.83 35.88 3ab4 s LYS 26 CO 0.01 0.12 1.03 -2.30 -0.36 0.00 0.00 175.35 173.85 3ab4 n PRO 27 N 2.62 1.30 -0.99 4.03 -0.02 -1.26 -2.80 135.00 137.88 3ab4 n PRO 27 Ca -0.15 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 3ab4 n PRO 27 Cb 0.57 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 3ab4 n PRO 27 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ab4 n GLY 28 N 1.16 0.63 0.12 -1.23 0.00 -1.26 -4.90 105.19 99.71 3ab4 n GLY 28 Ca 0.10 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.94 3ab4 n GLY 28 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3ab4 h GLU 29 N 1.58 0.24 -0.16 1.61 4.57 -1.84 -3.15 114.58 117.43 3ab4 h GLU 29 Ca 0.00 -0.41 -0.09 0.00 -1.18 0.00 0.00 59.36 57.69 3ab4 h GLU 29 Cb 0.04 0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.77 3ab4 h GLU 29 CO 0.00 1.08 -0.29 0.00 -1.18 0.00 0.00 179.01 178.61 3ab4 h ALA 30 N 0.40 1.20 -0.12 2.92 0.00 -1.90 -3.18 119.26 118.58 3ab4 h ALA 30 Ca -0.32 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.28 3ab4 h ALA 30 Cb 2.03 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.70 3ab4 h ALA 30 CO 0.13 0.52 -0.03 0.00 0.00 0.00 0.00 179.25 179.87 3ab4 h ALA 31 N 1.42 0.08 -0.71 0.00 0.00 -1.96 -2.16 119.26 115.93 3ab4 h ALA 31 Ca 0.04 0.05 0.16 0.00 0.00 0.00 0.00 54.91 55.15 3ab4 h ALA 31 Cb 0.66 0.10 -0.12 0.00 0.00 0.00 0.00 17.79 18.43 3ab4 h ALA 31 CO 0.05 -0.49 0.08 0.87 0.00 0.00 0.00 179.25 179.76 3ab4 h LYS 32 N -0.00 0.17 0.79 0.00 1.57 -1.52 0.79 116.57 118.35 3ab4 h LYS 32 Ca 0.06 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 3ab4 h LYS 32 Cb 0.09 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.37 3ab4 h LYS 32 CO -0.13 0.11 -0.38 0.28 -0.57 0.00 0.00 179.45 178.77 3ab4 h VAL 33 N 0.17 0.17 0.00 0.50 2.07 -1.44 -2.94 116.25 114.78 3ab4 h VAL 33 Ca 0.39 -0.10 -0.05 0.00 0.82 0.00 0.00 66.70 67.76 3ab4 h VAL 33 Cb 0.67 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 3ab4 h VAL 33 CO -0.57 0.01 -0.24 -0.26 0.02 0.00 0.00 177.57 176.53 3ab4 h PHE 34 N -1.14 0.00 -0.38 1.57 0.04 -1.19 -2.80 116.94 113.04 3ab4 h PHE 34 Ca -0.11 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.57 3ab4 h PHE 34 Cb 0.82 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.96 3ab4 h PHE 34 CO -0.01 0.24 -0.11 -0.09 -0.60 0.00 0.00 178.31 177.74 3ab4 h ARG 35 N 0.00 0.75 0.26 1.51 9.65 -0.90 0.12 114.38 125.77 3ab4 h ARG 35 Ca -0.00 -0.29 -0.01 0.00 -1.10 0.00 0.00 59.98 58.57 3ab4 h ARG 35 Cb 1.03 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.57 3ab4 h ARG 35 CO 0.03 0.90 -0.12 0.00 2.80 0.00 0.00 179.97 183.57 3ab4 h ALA 36 N 0.83 -0.35 -0.73 2.80 0.00 -1.32 0.29 119.26 120.78 3ab4 h ALA 36 Ca 0.09 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.01 3ab4 h ALA 36 Cb 0.63 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.48 3ab4 h ALA 36 CO 0.04 -0.67 0.38 -0.07 0.00 0.00 0.00 179.25 178.92 3ab4 h LEU 37 N -0.39 0.51 -0.90 0.00 4.07 -1.49 -2.59 115.31 114.52 3ab4 h LEU 37 Ca -0.04 0.06 -0.04 0.00 0.08 0.00 0.00 57.88 57.95 3ab4 h LEU 37 Cb 0.30 -0.03 -0.04 0.00 1.08 0.00 0.00 40.66 41.97 3ab4 h LEU 37 CO 0.06 0.29 0.35 0.00 -1.08 0.00 0.00 178.44 178.06 3ab4 h ALA 38 N 1.43 1.13 0.00 1.53 0.00 -0.23 -2.07 119.26 121.05 3ab4 h ALA 38 Ca 0.36 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3ab4 h ALA 38 Cb 0.36 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3ab4 h ALA 38 CO -0.26 0.64 0.00 -0.44 0.00 0.00 0.00 179.25 179.19 3ab4 h ASP 39 N 1.14 0.00 -0.07 0.00 3.32 -0.57 -0.17 116.42 120.06 3ab4 h ASP 39 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 3ab4 h ASP 39 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3ab4 h ASP 39 CO -0.03 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.49 3ab4 n ALA 40 N -2.09 2.57 -2.29 3.45 0.00 -1.08 -4.94 120.51 116.14 3ab4 n ALA 40 Ca 0.02 -0.41 -0.17 0.00 0.00 0.00 0.00 53.44 52.88 3ab4 n ALA 40 Cb 0.37 -1.19 -0.01 0.00 0.00 0.00 0.00 19.45 18.61 3ab4 n ALA 40 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3ab4 n GLU 41 N -0.03 -1.33 -2.57 0.00 4.07 -0.08 -4.98 120.64 115.73 3ab4 n GLU 41 Ca 0.18 0.82 -0.43 0.00 -0.06 0.00 0.00 57.16 57.67 3ab4 n GLU 41 Cb 0.28 -5.24 -0.02 0.00 -0.06 0.00 0.00 31.44 26.39 3ab4 n GLU 41 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 3ab4 s ILE 42 N -2.83 4.52 -0.30 6.31 -1.09 -0.80 -5.01 121.20 122.00 3ab4 s ILE 42 Ca 0.00 1.83 -0.21 0.00 -2.23 0.00 0.00 60.65 60.03 3ab4 s ILE 42 Cb 0.00 -4.18 -0.01 0.00 -1.58 0.00 0.00 42.46 36.70 3ab4 s ILE 42 CO 0.00 -0.08 0.68 0.21 -1.23 0.00 0.00 174.94 174.52 3ab4 s ASN 43 N 1.41 6.56 0.28 3.58 3.04 -1.26 -4.46 114.94 124.08 3ab4 s ASN 43 Ca 0.50 0.52 -0.12 0.00 0.04 0.00 0.00 52.86 53.80 3ab4 s ASN 43 Cb -0.19 -2.36 -0.08 0.00 -1.54 0.00 0.00 41.25 37.08 3ab4 s ASN 43 CO 0.15 -0.52 0.65 -0.63 -3.04 0.00 0.00 177.10 173.70 3ab4 s ILE 44 N 2.72 4.81 0.00 -5.21 -1.09 -1.26 -4.22 121.20 116.95 3ab4 s ILE 44 Ca 0.28 0.70 0.00 0.00 -2.23 0.00 0.00 60.65 59.39 3ab4 s ILE 44 Cb -0.15 -3.62 0.00 0.00 -1.58 0.00 0.00 42.46 37.12 3ab4 s ILE 44 CO 0.12 -0.14 0.00 -0.67 -1.23 0.00 0.00 174.94 173.01 3ab4 n ASP 45 N -0.30 0.00 -4.77 3.58 2.03 -0.03 -4.98 116.55 112.08 3ab4 n ASP 45 Ca 0.02 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 54.95 3ab4 n ASP 45 Cb 0.53 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.89 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 0.00 4.41 -0.01 -0.67 -1.94 -1.25 -4.83 119.30 115.00 3ab4 s MET 46 Ca 0.00 1.63 0.01 0.00 -1.71 0.00 0.00 55.69 55.62 3ab4 s MET 46 Cb 0.00 -2.86 0.00 0.00 2.01 0.00 0.00 34.83 33.98 3ab4 s MET 46 CO 0.00 0.05 -0.04 0.08 -0.01 0.00 0.00 175.02 175.10 3ab4 s VAL 47 N -1.42 0.35 -0.09 -6.03 1.01 -1.26 -1.41 120.40 111.55 3ab4 s VAL 47 Ca 0.51 -0.15 -0.04 0.00 0.00 0.00 0.00 61.98 62.31 3ab4 s VAL 47 Cb -0.26 -0.33 0.05 0.00 0.00 0.00 0.00 36.38 35.84 3ab4 s VAL 47 CO 0.33 0.12 0.18 -0.22 0.00 0.00 0.00 175.10 175.52 3ab4 s LEU 48 N 0.16 -0.08 -0.09 3.92 0.20 -0.01 -5.00 118.68 117.78 3ab4 s LEU 48 Ca -0.01 0.39 -0.01 0.00 0.69 0.00 0.00 54.13 55.19 3ab4 s LEU 48 Cb -0.05 0.37 0.03 0.00 -0.43 0.00 0.00 46.19 46.11 3ab4 s LEU 48 CO -0.00 -0.24 -0.05 -1.58 -0.29 0.00 0.00 176.35 174.19 3ab4 s GLN 49 N 2.25 1.19 0.56 1.98 0.74 -1.26 -0.81 119.66 124.30 3ab4 s GLN 49 Ca 0.02 -0.13 0.09 0.00 0.05 0.00 0.00 55.36 55.39 3ab4 s GLN 49 Cb -0.12 -1.34 0.09 0.00 1.10 0.00 0.00 33.01 32.74 3ab4 s GLN 49 CO -0.06 -0.26 0.77 -1.71 -0.55 0.00 0.00 175.29 173.48 3ab4 n ASN 50 N 4.94 1.98 -4.59 6.67 2.85 -1.26 -5.05 115.26 120.80 3ab4 n ASN 50 Ca -0.11 -2.45 -0.38 0.00 -0.11 0.00 0.00 54.58 51.52 3ab4 n ASN 50 Cb 0.50 -0.41 0.05 0.00 1.24 0.00 0.00 39.78 41.15 3ab4 n ASN 50 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 3ab4 n VAL 51 N -2.23 3.32 -1.33 3.44 0.31 -1.26 -4.73 118.33 115.84 3ab4 n VAL 51 Ca 0.16 -0.50 -0.30 0.00 -0.01 0.00 0.00 64.34 63.69 3ab4 n VAL 51 Cb 0.57 -1.06 0.12 0.00 -0.91 0.00 0.00 33.84 32.56 3ab4 n VAL 51 CO 0.00 0.00 0.00 0.72 -1.32 0.00 0.00 176.83 176.23 3ab4 s PHE 52 N -1.53 2.50 -0.26 3.52 -0.71 -1.26 -4.83 117.98 115.42 3ab4 s PHE 52 Ca 0.73 1.22 -0.18 0.00 -1.04 0.00 0.00 56.93 57.66 3ab4 s PHE 52 Cb -0.43 -3.15 -0.03 0.00 -1.21 0.00 0.00 43.02 38.20 3ab4 s PHE 52 CO 0.49 -2.17 0.54 -1.54 -1.34 0.00 0.00 175.22 171.21 3ab4 s SER 53 N -3.60 6.47 0.23 1.98 1.04 0.12 -4.96 113.70 114.98 3ab4 s SER 53 Ca 0.62 0.57 -0.07 0.00 0.48 0.00 0.00 55.95 57.55 3ab4 s SER 53 Cb -0.17 -2.29 0.36 0.00 0.10 0.00 0.00 66.02 64.02 3ab4 s SER 53 CO 0.56 -0.30 1.75 1.62 0.98 0.00 0.00 173.24 177.85 3ab4 h VAL 54 N 5.38 0.74 0.13 5.02 3.04 -1.92 0.37 116.25 129.01 3ab4 h VAL 54 Ca -0.29 -0.16 -0.00 0.00 -1.01 0.00 0.00 66.70 65.24 3ab4 h VAL 54 Cb 1.14 0.24 -0.01 0.00 -2.01 0.00 0.00 31.29 30.65 3ab4 h VAL 54 CO 0.73 0.08 -0.14 -0.33 -1.01 0.00 0.00 177.57 176.90 3ab4 h GLU 55 N 0.46 -0.26 0.00 4.17 3.07 -1.96 -3.20 114.58 116.86 3ab4 h GLU 55 Ca 0.36 0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 59.19 3ab4 h GLU 55 Cb 0.47 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.43 3ab4 h GLU 55 CO -0.33 -0.18 -0.21 -0.44 -1.40 0.00 0.00 179.01 176.45 3ab4 h ASP 56 N -0.27 0.00 0.00 1.42 3.32 -1.98 -3.47 116.42 115.44 3ab4 h ASP 56 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3ab4 h ASP 56 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3ab4 h ASP 56 CO -0.03 0.21 0.00 0.61 -1.72 0.00 0.00 179.24 178.31 3ab4 n GLY 57 N 0.93 1.99 3.96 2.75 0.00 0.13 -5.02 105.19 109.93 3ab4 n GLY 57 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 3ab4 n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ab4 s THR 58 N -3.15 2.23 0.34 2.61 -4.23 -1.22 -3.75 115.64 108.48 3ab4 s THR 58 Ca 0.00 -1.21 0.05 0.00 -1.18 0.00 0.00 61.69 59.35 3ab4 s THR 58 Cb 0.00 -2.45 -0.02 0.00 1.34 0.00 0.00 72.50 71.37 3ab4 s THR 58 CO 0.00 0.00 0.34 1.07 -0.54 0.00 0.00 174.62 175.49 3ab4 n THR 59 N -1.90 0.00 -4.28 3.99 5.66 -0.10 0.15 114.28 117.79 3ab4 n THR 59 Ca 0.07 -2.29 -0.24 0.00 -3.05 0.00 0.00 64.05 58.55 3ab4 n THR 59 Cb 0.62 1.20 -0.12 0.00 -1.55 0.00 0.00 70.33 70.47 3ab4 n THR 59 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 3ab4 s ASP 60 N -3.31 2.51 -0.11 1.09 1.01 -1.26 -0.23 116.67 116.38 3ab4 s ASP 60 Ca 0.37 -0.69 0.01 0.00 0.71 0.00 0.00 52.55 52.95 3ab4 s ASP 60 Cb 0.01 -0.14 0.02 0.00 1.01 0.00 0.00 42.92 43.83 3ab4 s ASP 60 CO 0.27 0.05 -0.11 -0.63 0.21 0.00 0.00 175.17 174.95 3ab4 s ILE 61 N -1.19 1.24 -0.02 0.77 1.01 -0.02 -4.14 121.20 118.84 3ab4 s ILE 61 Ca 0.06 -0.47 -0.01 0.00 0.00 0.00 0.00 60.65 60.24 3ab4 s ILE 61 Cb -0.10 -1.18 -0.04 0.00 0.01 0.00 0.00 42.46 41.15 3ab4 s ILE 61 CO 0.04 0.39 0.07 -0.89 0.00 0.00 0.00 174.94 174.56 3ab4 s THR 62 N 1.25 4.69 0.14 2.92 2.01 0.01 -0.02 115.64 126.64 3ab4 s THR 62 Ca -0.02 -0.35 -0.01 0.00 0.31 0.00 0.00 61.69 61.62 3ab4 s THR 62 Cb -0.14 -3.11 -0.04 0.00 0.01 0.00 0.00 72.50 69.22 3ab4 s THR 62 CO -0.04 0.41 0.06 0.72 -0.69 0.00 0.00 174.62 175.08 3ab4 s PHE 63 N -1.13 0.92 0.16 4.92 -0.12 -0.14 -0.83 117.98 121.75 3ab4 s PHE 63 Ca 0.21 -1.24 0.08 0.00 -0.05 0.00 0.00 56.93 55.92 3ab4 s PHE 63 Cb -0.12 -0.50 -0.04 0.00 -0.63 0.00 0.00 43.02 41.73 3ab4 s PHE 63 CO 0.11 -0.52 -0.17 0.95 -0.05 0.00 0.00 175.22 175.54 3ab4 s THR 64 N -4.04 1.71 0.26 -4.49 -4.23 -0.50 -0.93 115.64 103.43 3ab4 s THR 64 Ca 0.26 -1.88 -0.17 0.00 -1.18 0.00 0.00 61.69 58.72 3ab4 s THR 64 Cb 0.07 -1.78 0.01 0.00 1.34 0.00 0.00 72.50 72.14 3ab4 s THR 64 CO 0.03 -0.34 0.60 0.00 -0.54 0.00 0.00 174.62 174.37 3ab4 n PRO 66 N -0.42 0.95 0.29 0.00 -0.02 -1.26 -1.42 135.00 133.12 3ab4 n PRO 66 Ca -0.03 0.37 0.18 0.00 -2.02 0.00 0.00 63.50 62.00 3ab4 n PRO 66 Cb 0.60 -2.31 0.83 0.00 -0.02 0.00 0.00 33.50 32.60 3ab4 n PRO 66 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3ab4 h ARG 67 N 0.44 0.00 -0.03 -0.52 2.43 -1.70 -1.61 114.38 113.38 3ab4 h ARG 67 Ca -0.49 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 3ab4 h ARG 67 Cb 1.36 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.91 3ab4 h ARG 67 CO 0.51 0.03 0.00 -1.13 -1.51 0.00 0.00 179.97 177.88 3ab4 n SER 68 N -3.19 1.48 -0.28 -3.80 3.41 -1.26 -3.53 113.62 106.45 3ab4 n SER 68 Ca -0.01 -1.51 0.03 0.00 -0.26 0.00 0.00 58.87 57.12 3ab4 n SER 68 Cb 0.24 -0.01 0.05 0.00 -0.26 0.00 0.00 64.21 64.23 3ab4 n SER 68 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3ab4 n ASP 69 N 0.16 1.95 -0.06 4.04 10.43 -0.62 -4.81 116.55 127.65 3ab4 n ASP 69 Ca 0.19 -1.59 -0.11 0.00 2.57 0.00 0.00 54.79 55.84 3ab4 n ASP 69 Cb 0.35 -0.06 -0.05 0.00 1.84 0.00 0.00 41.12 43.20 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 1.10 0.32 1.04 0.44 0.00 -1.58 -0.21 103.07 104.19 3ab4 h GLY 70 Ca 0.00 -0.19 -0.09 0.00 0.00 0.00 0.00 47.33 47.05 3ab4 h GLY 70 CO 0.00 0.18 -0.00 0.07 0.00 0.00 0.00 176.54 176.79 3ab4 h ARG 71 N 0.12 0.96 -0.95 4.80 -0.00 -1.87 -1.33 114.38 116.11 3ab4 h ARG 71 Ca 0.06 -0.31 0.07 0.00 -0.00 0.00 0.00 59.98 59.80 3ab4 h ARG 71 Cb 0.25 -0.09 -0.07 0.00 -0.00 0.00 0.00 29.97 30.06 3ab4 h ARG 71 CO -0.00 0.97 0.60 -0.09 -0.00 0.00 0.00 179.97 181.45 3ab4 h ARG 72 N 0.84 1.04 -0.49 0.08 2.43 -1.84 -0.88 114.38 115.56 3ab4 h ARG 72 Ca 0.15 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 59.14 3ab4 h ARG 72 Cb 0.54 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 3ab4 h ARG 72 CO 0.03 0.69 -0.15 0.00 -1.51 0.00 0.00 179.97 179.03 3ab4 h ALA 73 N 1.45 0.68 -0.89 2.80 0.00 -0.60 -2.37 119.26 120.32 3ab4 h ALA 73 Ca 0.42 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3ab4 h ALA 73 Cb 0.21 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3ab4 h ALA 73 CO -0.19 0.61 0.48 0.52 0.00 0.00 0.00 179.25 180.67 3ab4 h MET 74 N 0.82 1.26 -0.34 0.00 2.86 -0.71 -1.87 114.93 116.95 3ab4 h MET 74 Ca 0.12 -0.16 -0.10 0.00 -2.06 0.00 0.00 59.70 57.50 3ab4 h MET 74 Cb 0.71 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 3ab4 h MET 74 CO 0.05 0.93 -0.22 0.93 1.06 0.00 0.00 176.91 179.67 3ab4 h GLU 75 N 1.26 0.65 -0.29 1.72 4.39 -0.99 0.18 114.58 121.49 3ab4 h GLU 75 Ca 0.31 -0.25 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 3ab4 h GLU 75 Cb 0.05 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 3ab4 h GLU 75 CO -0.05 0.82 0.13 0.82 -1.16 0.00 0.00 179.01 179.57 3ab4 h ILE 76 N 0.58 1.16 0.00 3.13 2.04 -1.21 -2.99 117.51 120.22 3ab4 h ILE 76 Ca 0.08 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.46 3ab4 h ILE 76 Cb 0.69 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 3ab4 h ILE 76 CO 0.05 0.17 0.00 0.18 0.00 0.00 0.00 178.15 178.55 3ab4 n LEU 77 N -4.77 0.17 -0.32 1.44 4.32 -0.72 -4.02 117.00 113.11 3ab4 n LEU 77 Ca -0.02 0.52 0.08 0.00 -0.02 0.00 0.00 56.01 56.56 3ab4 n LEU 77 Cb 0.12 -0.47 0.24 0.00 -1.62 0.00 0.00 43.42 41.69 3ab4 n LEU 77 CO 0.36 -0.08 1.15 0.11 -1.22 0.00 0.00 177.39 177.71 3ab4 h LYS 78 N 0.00 0.72 0.00 3.23 1.57 -0.50 -2.20 116.57 119.39 3ab4 h LYS 78 Ca 0.00 -0.04 -0.23 0.00 -1.87 0.00 0.00 60.65 58.51 3ab4 h LYS 78 Cb 0.52 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.62 3ab4 h LYS 78 CO 0.00 0.48 -1.78 0.36 -0.57 0.00 0.00 179.45 177.94 3ab4 n LYS 79 N -4.79 0.64 0.11 3.15 2.85 -1.26 -3.91 118.16 114.95 3ab4 n LYS 79 Ca 0.18 0.14 0.02 0.00 -1.05 0.00 0.00 58.31 57.60 3ab4 n LYS 79 Cb 0.42 -1.70 0.37 0.00 -0.65 0.00 0.00 35.03 33.47 3ab4 n LYS 79 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 3ab4 h LEU 80 N 0.00 0.24 -0.97 -5.58 3.38 -1.72 -1.70 115.31 108.96 3ab4 h LEU 80 Ca -0.27 -0.05 0.17 0.00 0.09 0.00 0.00 57.88 57.82 3ab4 h LEU 80 Cb 1.77 -0.06 -0.10 0.00 0.09 0.00 0.00 40.66 42.36 3ab4 h LEU 80 CO 0.04 0.41 0.58 -0.61 0.09 0.00 0.00 178.44 178.95 3ab4 h GLN 81 N 0.25 0.76 0.03 1.13 4.15 -1.52 0.59 115.11 120.49 3ab4 h GLN 81 Ca 0.05 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 3ab4 h GLN 81 Cb 0.39 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.91 3ab4 h GLN 81 CO 0.02 0.50 -0.01 0.28 -1.93 0.00 0.00 178.83 177.69 3ab4 h VAL 82 N 0.78 0.08 -0.60 2.39 2.07 -1.53 -2.63 116.25 116.81 3ab4 h VAL 82 Ca 0.54 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 3ab4 h VAL 82 Cb 0.77 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 3ab4 h VAL 82 CO -0.36 0.03 0.36 0.06 0.02 0.00 0.00 177.57 177.68 3ab4 h GLN 83 N -1.01 0.83 -7.42 1.57 3.07 -1.32 -3.40 115.11 107.42 3ab4 h GLN 83 Ca -0.00 -0.08 -0.47 0.00 0.09 0.00 0.00 58.65 58.19 3ab4 h GLN 83 Cb 0.08 -0.17 0.14 0.00 0.08 0.00 0.00 27.48 27.60 3ab4 h GLN 83 CO 0.01 0.60 0.27 0.20 0.09 0.00 0.00 178.83 180.00 3ab4 s GLY 84 N -2.87 1.59 0.00 0.06 0.00 0.21 -4.94 107.32 101.36 3ab4 s GLY 84 Ca -0.13 -0.37 0.12 0.00 0.00 0.00 0.00 44.72 44.34 3ab4 s GLY 84 CO 0.77 0.17 1.44 1.16 0.00 0.00 0.00 173.10 176.64 3ab4 n ASN 85 N -3.82 0.00 -4.74 1.64 6.94 -1.26 -4.68 115.26 109.34 3ab4 n ASN 85 Ca 0.06 -1.52 -0.36 0.00 -0.02 0.00 0.00 54.58 52.74 3ab4 n ASN 85 Cb 0.58 0.00 0.06 0.00 -2.36 0.00 0.00 39.78 38.05 3ab4 n ASN 85 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 3ab4 s TRP 86 N -2.00 2.24 -0.03 -2.53 0.51 -0.99 -4.96 118.94 111.18 3ab4 s TRP 86 Ca 0.19 1.53 -0.06 0.00 -2.12 0.00 0.00 56.10 55.64 3ab4 s TRP 86 Cb 0.09 -3.51 -0.03 0.00 -0.81 0.00 0.00 33.47 29.20 3ab4 s TRP 86 CO 0.14 -2.45 0.35 1.15 -0.51 0.00 0.00 176.95 175.63 3ab4 h THR 87 N 0.46 0.00 -2.95 2.01 2.02 -1.61 -3.46 112.91 109.38 3ab4 h THR 87 Ca -0.50 -0.42 -0.09 0.00 0.77 0.00 0.00 66.41 66.17 3ab4 h THR 87 Cb 1.30 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 3ab4 h THR 87 CO 0.53 0.00 0.07 -0.46 0.37 0.00 0.00 175.52 176.03 3ab4 n ASN 88 N -3.73 -1.30 -4.15 4.18 6.94 -1.25 -5.04 115.26 110.91 3ab4 n ASN 88 Ca -0.03 -2.16 -0.30 0.00 -0.02 0.00 0.00 54.58 52.08 3ab4 n ASN 88 Cb 0.08 2.24 -0.17 0.00 -2.36 0.00 0.00 39.78 39.57 3ab4 n ASN 88 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 3ab4 s VAL 89 N -2.52 1.75 0.13 3.53 -7.23 -1.26 -1.43 120.40 113.38 3ab4 s VAL 89 Ca 0.14 -0.84 0.05 0.00 -1.81 0.00 0.00 61.98 59.53 3ab4 s VAL 89 Cb -0.02 -1.54 -0.04 0.00 0.56 0.00 0.00 36.38 35.34 3ab4 s VAL 89 CO 0.10 0.49 0.04 -0.76 -0.31 0.00 0.00 175.10 174.67 3ab4 s LEU 90 N 0.50 3.53 -0.05 1.32 1.43 -0.04 -4.95 118.68 120.41 3ab4 s LEU 90 Ca -0.16 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 52.72 3ab4 s LEU 90 Cb -0.17 -2.20 0.03 0.00 0.03 0.00 0.00 46.19 43.87 3ab4 s LEU 90 CO 0.06 0.12 -0.02 -0.47 0.23 0.00 0.00 176.35 176.28 3ab4 s TYR 91 N -1.55 0.56 -0.16 0.29 5.04 -1.26 -1.57 117.35 118.70 3ab4 s TYR 91 Ca 0.28 -0.11 -0.02 0.00 -2.44 0.00 0.00 57.07 54.78 3ab4 s TYR 91 Cb -0.11 -0.61 0.05 0.00 0.35 0.00 0.00 41.96 41.65 3ab4 s TYR 91 CO 0.20 -0.20 0.00 0.34 -1.34 0.00 0.00 175.55 174.55 3ab4 s ASP 92 N 1.24 2.64 -0.29 4.32 2.15 -0.40 -4.99 116.67 121.35 3ab4 s ASP 92 Ca -0.06 -0.64 0.10 0.00 0.43 0.00 0.00 52.55 52.38 3ab4 s ASP 92 Cb -0.13 -0.67 0.54 0.00 -0.30 0.00 0.00 42.92 42.36 3ab4 s ASP 92 CO -0.02 -0.25 1.53 -0.90 -0.17 0.00 0.00 175.17 175.36 3ab4 n ASP 93 N 5.01 3.00 -2.47 -0.34 5.68 -1.26 -1.05 116.55 125.11 3ab4 n ASP 93 Ca -0.09 -3.59 -0.17 0.00 -0.50 0.00 0.00 54.79 50.44 3ab4 n ASP 93 Cb 0.48 -0.65 0.02 0.00 -1.14 0.00 0.00 41.12 39.83 3ab4 n ASP 93 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ab4 n GLN 94 N -0.97 2.62 -4.18 0.11 6.02 -1.26 -4.94 117.38 114.78 3ab4 n GLN 94 Ca 0.35 -3.93 -0.31 0.00 -0.01 0.00 0.00 57.00 53.09 3ab4 n GLN 94 Cb 1.11 -1.90 -0.08 0.00 1.02 0.00 0.00 30.24 30.39 3ab4 n GLN 94 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3ab4 s VAL 95 N -4.39 4.10 0.13 5.09 0.11 -1.26 -1.88 120.40 122.30 3ab4 s VAL 95 Ca 0.40 -0.83 0.09 0.00 -2.93 0.00 0.00 61.98 58.70 3ab4 s VAL 95 Cb 0.40 -2.91 -0.04 0.00 -1.53 0.00 0.00 36.38 32.30 3ab4 s VAL 95 CO -0.05 0.21 -0.21 -0.83 -3.33 0.00 0.00 175.10 170.90 3ab4 s GLY 96 N -2.04 1.35 -0.12 6.54 0.00 0.31 -4.56 107.32 108.80 3ab4 s GLY 96 Ca 0.24 -1.37 0.02 0.00 0.00 0.00 0.00 44.72 43.61 3ab4 s GLY 96 CO 0.16 -1.39 -0.19 1.25 0.00 0.00 0.00 173.10 172.92 3ab4 s LYS 97 N -2.28 2.68 0.07 2.90 2.20 0.65 0.17 119.74 126.13 3ab4 s LYS 97 Ca 0.11 -0.73 0.10 0.00 -0.36 0.00 0.00 55.97 55.08 3ab4 s LYS 97 Cb -0.08 -2.18 -0.03 0.00 -1.51 0.00 0.00 37.83 34.02 3ab4 s LYS 97 CO 0.06 -0.01 -0.26 0.14 -0.36 0.00 0.00 175.35 174.91 3ab4 s VAL 98 N 0.82 2.16 -0.06 4.02 -7.23 -0.06 -0.74 120.40 119.31 3ab4 s VAL 98 Ca -0.08 -1.48 -0.05 0.00 -1.81 0.00 0.00 61.98 58.56 3ab4 s VAL 98 Cb -0.16 -1.87 0.02 0.00 0.56 0.00 0.00 36.38 34.93 3ab4 s VAL 98 CO -0.00 0.30 0.15 -0.44 -0.31 0.00 0.00 175.10 174.79 3ab4 s SER 99 N -1.44 -0.15 -0.31 4.85 0.01 -0.52 0.20 113.70 116.34 3ab4 s SER 99 Ca 0.12 0.30 -0.11 0.00 1.31 0.00 0.00 55.95 57.57 3ab4 s SER 99 Cb -0.10 0.29 -0.03 0.00 0.21 0.00 0.00 66.02 66.39 3ab4 s SER 99 CO 0.03 -0.06 0.19 -0.22 0.41 0.00 0.00 173.24 173.59 3ab4 s LEU 100 N 0.18 4.19 0.04 2.44 2.96 0.65 -1.02 118.68 128.11 3ab4 s LEU 100 Ca -0.01 -0.30 -0.12 0.00 -0.22 0.00 0.00 54.13 53.48 3ab4 s LEU 100 Cb -0.02 -2.09 -0.06 0.00 0.50 0.00 0.00 46.19 44.53 3ab4 s LEU 100 CO -0.00 -0.15 0.39 -0.69 -1.32 0.00 0.00 176.35 174.57 3ab4 s VAL 101 N 1.70 5.09 0.00 1.68 1.01 0.16 -1.59 120.40 128.45 3ab4 s VAL 101 Ca 0.06 0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.63 3ab4 s VAL 101 Cb -0.17 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.55 3ab4 s VAL 101 CO 0.09 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.22 3ab4 n GLY 102 N 1.31 1.23 3.64 4.51 0.00 -0.79 -1.22 105.19 113.87 3ab4 n GLY 102 Ca -0.11 -0.17 -0.06 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.00 0.00 4.61 0.00 -0.29 -4.40 121.76 118.68 3ab4 s ALA 103 Ca 0.00 2.37 0.00 0.00 0.00 0.00 0.00 51.96 54.33 3ab4 s ALA 103 Cb 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 23.12 21.60 3ab4 s ALA 103 CO 0.00 -0.39 0.00 0.41 0.00 0.00 0.00 175.76 175.78 3ab4 n GLY 104 N 4.18 0.83 0.22 0.00 0.00 0.03 -0.75 105.19 109.70 3ab4 n GLY 104 Ca -0.19 -0.64 0.10 0.00 0.00 0.00 0.00 46.02 45.29 3ab4 n GLY 104 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3ab4 h MET 105 N 0.00 0.00 -0.55 1.61 2.07 -1.64 -3.34 114.93 113.08 3ab4 h MET 105 Ca 0.00 0.00 0.11 0.00 -2.07 0.00 0.00 59.70 57.74 3ab4 h MET 105 Cb 0.69 0.00 -0.10 0.00 -1.87 0.00 0.00 31.60 30.32 3ab4 h MET 105 CO 0.00 0.20 -0.07 -0.22 1.07 0.00 0.00 176.91 177.89 3ab4 h LYS 106 N 0.00 0.05 -0.04 1.72 3.64 -1.88 -0.65 116.57 119.41 3ab4 h LYS 106 Ca -0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3ab4 h LYS 106 Cb 0.80 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 3ab4 h LYS 106 CO 0.03 0.03 0.00 -1.13 -2.27 0.00 0.00 179.45 176.11 3ab4 n SER 107 N -5.32 0.41 -3.42 4.20 3.41 -1.25 -3.93 113.62 107.71 3ab4 n SER 107 Ca 0.06 -1.52 -0.26 0.00 -0.26 0.00 0.00 58.87 56.89 3ab4 n SER 107 Cb 0.30 -0.03 -0.08 0.00 -0.26 0.00 0.00 64.21 64.14 3ab4 n SER 107 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3ab4 n HIS 108 N -0.50 1.96 0.33 7.33 8.25 -0.25 -4.96 115.22 127.38 3ab4 n HIS 108 Ca 0.14 -3.92 0.21 0.00 -0.26 0.00 0.00 57.72 53.89 3ab4 n HIS 108 Cb 0.13 -0.43 1.14 0.00 1.12 0.00 0.00 29.99 31.94 3ab4 n HIS 108 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3ab4 h PRO 109 N 4.43 0.00 -0.80 -0.41 0.13 -1.68 -1.53 132.00 132.14 3ab4 h PRO 109 Ca 0.16 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 65.46 3ab4 h PRO 109 Cb 0.76 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.84 3ab4 h PRO 109 CO 0.66 0.00 0.53 0.78 -0.23 0.00 0.00 178.00 179.75 3ab4 h GLY 110 N 0.00 0.69 0.99 1.56 0.00 -1.93 -2.36 103.07 102.02 3ab4 h GLY 110 Ca 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 3ab4 h GLY 110 CO -0.00 0.03 -0.11 -2.08 0.00 0.00 0.00 176.54 174.39 3ab4 h VAL 111 N 0.37 0.79 -0.54 4.60 2.07 -1.60 0.12 116.25 122.06 3ab4 h VAL 111 Ca 0.40 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.90 3ab4 h VAL 111 Cb 1.00 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 3ab4 h VAL 111 CO -0.13 0.01 0.34 0.74 0.02 0.00 0.00 177.57 178.55 3ab4 h THR 112 N -0.31 1.09 -0.39 2.57 2.02 -1.65 -0.74 112.91 115.49 3ab4 h THR 112 Ca -0.03 -0.23 0.03 0.00 0.77 0.00 0.00 66.41 66.95 3ab4 h THR 112 Cb 0.24 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 3ab4 h THR 112 CO 0.05 0.12 0.20 0.00 0.37 0.00 0.00 175.52 176.26 3ab4 h ALA 113 N 1.22 0.48 -0.09 6.16 0.00 -1.29 -2.01 119.26 123.74 3ab4 h ALA 113 Ca 0.21 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 3ab4 h ALA 113 Cb -0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3ab4 h ALA 113 CO -0.08 -0.17 -0.35 0.93 0.00 0.00 0.00 179.25 179.58 3ab4 h GLU 114 N 0.40 0.18 0.12 0.00 5.08 -0.37 -1.22 114.58 118.78 3ab4 h GLU 114 Ca 0.17 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3ab4 h GLU 114 Cb 0.07 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3ab4 h GLU 114 CO -0.12 0.52 -0.06 0.35 -1.00 0.00 0.00 179.01 178.70 3ab4 h PHE 115 N 0.16 -0.15 -0.67 4.33 3.57 -0.82 -1.07 116.94 122.29 3ab4 h PHE 115 Ca 0.02 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.54 3ab4 h PHE 115 Cb 0.70 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.45 3ab4 h PHE 115 CO 0.01 0.09 0.42 0.52 -2.23 0.00 0.00 178.31 177.12 3ab4 h MET 116 N -0.38 0.80 0.00 1.11 2.86 -1.11 -2.82 114.93 115.40 3ab4 h MET 116 Ca -0.02 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3ab4 h MET 116 Cb 0.31 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.79 3ab4 h MET 116 CO 0.03 0.53 -0.17 1.05 1.06 0.00 0.00 176.91 179.41 3ab4 h GLU 117 N 0.83 0.00 -0.31 1.72 4.11 -1.21 -2.05 114.58 117.66 3ab4 h GLU 117 Ca 0.27 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.61 3ab4 h GLU 117 Cb 0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3ab4 h GLU 117 CO -0.10 0.00 -0.13 0.00 0.07 0.00 0.00 179.01 178.85 3ab4 h ALA 118 N 2.33 0.44 -0.23 1.06 0.00 -0.98 -2.24 119.26 119.63 3ab4 h ALA 118 Ca 0.00 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.43 3ab4 h ALA 118 Cb 0.83 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3ab4 h ALA 118 CO 0.00 0.32 -0.49 -0.07 0.00 0.00 0.00 179.25 179.01 3ab4 h LEU 119 N 0.40 0.67 -1.19 0.00 3.38 -1.40 -3.01 115.31 114.17 3ab4 h LEU 119 Ca 0.07 -0.34 -0.07 0.00 0.09 0.00 0.00 57.88 57.63 3ab4 h LEU 119 Cb 0.65 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3ab4 h LEU 119 CO 0.04 1.05 -0.25 0.08 0.09 0.00 0.00 178.44 179.46 3ab4 h ARG 120 N 0.49 0.25 0.00 1.13 -0.00 -1.39 -1.58 114.38 113.27 3ab4 h ARG 120 Ca 0.02 -0.08 0.00 0.00 -0.00 0.00 0.00 59.98 59.92 3ab4 h ARG 120 Cb 1.03 -0.02 0.00 0.00 -0.00 0.00 0.00 29.97 30.98 3ab4 h ARG 120 CO 0.10 0.49 0.00 -0.25 -0.00 0.00 0.00 179.97 180.30 3ab4 n ASP 121 N -4.16 0.45 -1.17 0.08 8.00 -0.85 -1.46 116.55 117.43 3ab4 n ASP 121 Ca -0.01 0.55 -0.03 0.00 0.71 0.00 0.00 54.79 56.01 3ab4 n ASP 121 Cb 0.36 -0.67 0.21 0.00 -0.02 0.00 0.00 41.12 41.00 3ab4 n ASP 121 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 3ab4 n VAL 122 N -1.93 2.54 -4.16 2.53 3.14 -1.11 -5.01 118.33 114.33 3ab4 n VAL 122 Ca 0.06 -2.49 -0.30 0.00 -2.96 0.00 0.00 64.34 58.64 3ab4 n VAL 122 Cb 0.36 -0.32 -0.06 0.00 -1.06 0.00 0.00 33.84 32.76 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 -0.99 -0.04 -4.35 6.55 2.85 -0.54 -4.98 115.26 113.77 3ab4 n ASN 123 Ca 0.32 -1.18 -0.32 0.00 -0.11 0.00 0.00 54.58 53.29 3ab4 n ASN 123 Cb 1.05 -2.15 -0.15 0.00 1.24 0.00 0.00 39.78 39.77 3ab4 n ASN 123 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3ab4 s VAL 124 N -4.15 2.51 0.01 3.44 0.11 -0.63 -5.03 120.40 116.66 3ab4 s VAL 124 Ca 0.05 -0.91 -0.17 0.00 -2.93 0.00 0.00 61.98 58.03 3ab4 s VAL 124 Cb -0.03 -1.95 -0.06 0.00 -1.53 0.00 0.00 36.38 32.81 3ab4 s VAL 124 CO 0.96 0.57 0.47 0.21 -3.33 0.00 0.00 175.10 173.98 3ab4 s ASN 125 N -0.32 6.89 -0.48 3.54 2.47 -1.26 -4.20 114.94 121.57 3ab4 s ASN 125 Ca 0.02 1.05 -0.18 0.00 0.42 0.00 0.00 52.86 54.17 3ab4 s ASN 125 Cb -0.13 -2.29 0.05 0.00 -1.45 0.00 0.00 41.25 37.44 3ab4 s ASN 125 CO 0.02 0.27 0.53 -0.63 -3.72 0.00 0.00 177.10 173.57 3ab4 s ILE 126 N -0.90 5.01 0.03 -5.21 1.01 -1.26 -4.65 121.20 115.24 3ab4 s ILE 126 Ca 0.26 -0.62 -0.09 0.00 0.00 0.00 0.00 60.65 60.20 3ab4 s ILE 126 Cb -0.17 -4.20 -0.31 0.00 0.01 0.00 0.00 42.46 37.78 3ab4 s ILE 126 CO 0.15 -0.67 0.99 -0.33 0.00 0.00 0.00 174.94 175.09 3ab4 h GLU 127 N 8.88 0.38 -3.88 2.79 5.08 -1.85 -3.47 114.58 122.50 3ab4 h GLU 127 Ca -0.27 -0.65 -0.19 0.00 -1.00 0.00 0.00 59.36 57.25 3ab4 h GLU 127 Cb 1.10 0.24 -0.23 0.00 0.50 0.00 0.00 28.75 30.36 3ab4 h GLU 127 CO 0.91 1.29 -0.70 -1.17 -1.00 0.00 0.00 179.01 178.34 3ab4 s LEU 128 N -7.29 2.14 -0.00 1.33 0.20 -1.03 -4.98 118.68 109.04 3ab4 s LEU 128 Ca -0.08 -0.33 0.02 0.00 0.69 0.00 0.00 54.13 54.44 3ab4 s LEU 128 Cb 0.06 0.09 -0.01 0.00 -0.43 0.00 0.00 46.19 45.90 3ab4 s LEU 128 CO 0.90 -0.21 -0.08 -0.63 -0.29 0.00 0.00 176.35 176.04 3ab4 s ILE 129 N -0.99 0.62 -0.21 6.68 1.01 -1.26 -2.29 121.20 124.76 3ab4 s ILE 129 Ca -0.11 -0.35 -0.08 0.00 0.00 0.00 0.00 60.65 60.11 3ab4 s ILE 129 Cb -0.07 -0.52 0.09 0.00 0.01 0.00 0.00 42.46 41.97 3ab4 s ILE 129 CO -0.01 0.16 0.46 -0.94 0.00 0.00 0.00 174.94 174.61 3ab4 s SER 130 N -0.22 -0.45 0.37 3.58 1.04 -0.97 -5.03 113.70 112.02 3ab4 s SER 130 Ca 0.03 1.07 0.04 0.00 0.48 0.00 0.00 55.95 57.57 3ab4 s SER 130 Cb -0.03 1.35 -0.05 0.00 0.10 0.00 0.00 66.02 67.38 3ab4 s SER 130 CO -0.00 -0.22 0.06 0.42 0.98 0.00 0.00 173.24 174.47 3ab4 s THR 131 N 2.35 1.22 0.37 2.02 -4.23 -1.26 -2.93 115.64 113.18 3ab4 s THR 131 Ca -0.04 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.31 3ab4 s THR 131 Cb -0.11 -2.69 0.05 0.00 1.34 0.00 0.00 72.50 71.09 3ab4 s THR 131 CO -0.14 0.00 0.76 -0.94 -0.54 0.00 0.00 174.62 173.76 3ab4 s SER 132 N -3.59 0.03 0.41 3.99 1.04 -0.03 -4.97 113.70 110.58 3ab4 s SER 132 Ca 0.31 -1.10 0.24 0.00 0.48 0.00 0.00 55.95 55.88 3ab4 s SER 132 Cb 0.07 0.82 1.30 0.00 0.10 0.00 0.00 66.02 68.31 3ab4 s SER 132 CO 0.15 -1.62 1.70 -0.33 0.98 0.00 0.00 173.24 174.12 3ab4 h GLU 133 N 2.01 0.00 0.00 4.02 5.08 -1.97 -2.96 114.58 120.76 3ab4 h GLU 133 Ca -0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 3ab4 h GLU 133 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3ab4 h GLU 133 CO 0.38 0.00 0.00 0.44 -1.00 0.00 0.00 179.01 178.83 3ab4 n ILE 134 N -2.39 0.16 -3.63 3.13 -5.35 -1.26 -0.79 119.36 109.22 3ab4 n ILE 134 Ca -0.02 -0.45 -0.04 0.00 -0.27 0.00 0.00 62.75 61.97 3ab4 n ILE 134 Cb 0.14 1.12 -0.06 0.00 -1.74 0.00 0.00 39.64 39.10 3ab4 n ILE 134 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3ab4 s ARG 135 N -0.16 0.54 -0.34 6.28 3.52 -1.12 -1.89 118.95 125.78 3ab4 s ARG 135 Ca 0.00 0.98 -0.05 0.00 -0.13 0.00 0.00 55.73 56.53 3ab4 s ARG 135 Cb 0.00 0.19 0.05 0.00 -1.56 0.00 0.00 34.95 33.63 3ab4 s ARG 135 CO 0.00 -0.12 0.10 0.42 -0.81 0.00 0.00 175.30 174.89 3ab4 s ILE 136 N 1.66 3.57 -0.00 4.11 1.01 -0.62 -0.85 121.20 130.08 3ab4 s ILE 136 Ca -0.09 -1.30 0.06 0.00 0.00 0.00 0.00 60.65 59.32 3ab4 s ILE 136 Cb -0.05 -3.08 -0.03 0.00 0.01 0.00 0.00 42.46 39.31 3ab4 s ILE 136 CO -0.18 -0.23 -0.17 -0.44 0.00 0.00 0.00 174.94 173.93 3ab4 s SER 137 N 1.46 3.86 0.03 3.58 0.01 -1.15 -0.25 113.70 121.24 3ab4 s SER 137 Ca -0.01 -0.33 0.02 0.00 1.31 0.00 0.00 55.95 56.93 3ab4 s SER 137 Cb -0.20 -0.70 -0.02 0.00 0.21 0.00 0.00 66.02 65.31 3ab4 s SER 137 CO 0.01 0.30 -0.06 0.68 0.41 0.00 0.00 173.24 174.57 3ab4 s VAL 138 N -0.83 0.43 -0.14 3.43 -7.23 0.13 -2.30 120.40 113.88 3ab4 s VAL 138 Ca 0.13 -0.98 -0.08 0.00 -1.81 0.00 0.00 61.98 59.25 3ab4 s VAL 138 Cb -0.11 -0.51 -0.04 0.00 0.56 0.00 0.00 36.38 36.29 3ab4 s VAL 138 CO 0.03 -0.37 0.13 -0.76 -0.31 0.00 0.00 175.10 173.82 3ab4 s LEU 139 N -1.45 4.33 0.18 1.32 1.43 -0.97 -0.88 118.68 122.63 3ab4 s LEU 139 Ca -0.10 0.40 -0.06 0.00 -1.03 0.00 0.00 54.13 53.34 3ab4 s LEU 139 Cb -0.09 -2.07 -0.02 0.00 0.03 0.00 0.00 46.19 44.03 3ab4 s LEU 139 CO 0.00 0.35 0.22 0.27 0.23 0.00 0.00 176.35 177.41 3ab4 s ILE 140 N -0.65 0.05 0.25 -0.59 -4.36 0.13 -2.24 121.20 113.79 3ab4 s ILE 140 Ca 0.13 -1.67 -0.30 0.00 -0.26 0.00 0.00 60.65 58.55 3ab4 s ILE 140 Cb -0.12 -2.10 -0.14 0.00 1.25 0.00 0.00 42.46 41.35 3ab4 s ILE 140 CO 0.02 -0.23 1.10 0.54 0.24 0.00 0.00 174.94 176.61 3ab4 n ARG 141 N -0.22 1.36 -0.27 0.37 1.74 -1.26 0.11 116.66 118.50 3ab4 n ARG 141 Ca -0.04 0.48 0.05 0.00 -0.77 0.00 0.00 57.85 57.57 3ab4 n ARG 141 Cb 0.64 -1.92 0.28 0.00 -1.02 0.00 0.00 32.46 30.44 3ab4 n ARG 141 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 3ab4 h GLU 142 N 2.62 0.91 -0.03 5.56 4.81 -1.62 -1.68 114.58 125.15 3ab4 h GLU 142 Ca -0.41 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 58.77 3ab4 h GLU 142 Cb 1.33 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 30.51 3ab4 h GLU 142 CO 0.65 0.60 0.03 -0.44 -0.73 0.00 0.00 179.01 179.12 3ab4 h ASP 143 N 0.94 0.00 0.52 1.04 5.19 -1.89 -2.15 116.42 120.07 3ab4 h ASP 143 Ca 0.37 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.78 3ab4 h ASP 143 Cb 0.23 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.74 3ab4 h ASP 143 CO -0.14 0.00 -0.11 0.47 -3.12 0.00 0.00 179.24 176.34 3ab4 n ASP 144 N -3.95 0.30 0.11 6.45 8.00 -0.63 -4.42 116.55 122.40 3ab4 n ASP 144 Ca -0.02 -0.28 -0.13 0.00 0.71 0.00 0.00 54.79 55.07 3ab4 n ASP 144 Cb 0.12 -0.15 -0.08 0.00 -0.02 0.00 0.00 41.12 40.98 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 0.30 -0.19 -0.94 0.64 5.85 -1.42 0.71 115.31 120.25 3ab4 h LEU 145 Ca 0.00 -0.12 0.08 0.00 0.84 0.00 0.00 57.88 58.68 3ab4 h LEU 145 Cb 0.38 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.39 3ab4 h LEU 145 CO 0.00 0.01 0.59 -0.78 -0.34 0.00 0.00 178.44 177.92 3ab4 h ASP 146 N -0.38 0.93 -0.16 1.25 -0.00 -1.79 -0.63 116.42 115.64 3ab4 h ASP 146 Ca -0.02 0.02 -0.17 0.00 -0.00 0.00 0.00 57.03 56.86 3ab4 h ASP 146 Cb 0.30 -0.17 0.01 0.00 -0.00 0.00 0.00 39.33 39.46 3ab4 h ASP 146 CO 0.04 0.57 -0.56 0.00 -0.00 0.00 0.00 179.24 179.29 3ab4 h ALA 147 N 1.45 0.28 0.34 -0.78 0.00 -1.72 -2.19 119.26 116.64 3ab4 h ALA 147 Ca 0.42 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3ab4 h ALA 147 Cb 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3ab4 h ALA 147 CO -0.20 0.50 -0.16 0.00 0.00 0.00 0.00 179.25 179.39 3ab4 h ALA 148 N 0.54 -0.45 -0.61 0.00 0.00 -0.64 -0.56 119.26 117.53 3ab4 h ALA 148 Ca -0.03 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 54.84 3ab4 h ALA 148 Cb 1.19 0.18 -0.12 0.00 0.00 0.00 0.00 17.79 19.03 3ab4 h ALA 148 CO 0.12 -0.66 -0.27 0.00 0.00 0.00 0.00 179.25 178.44 3ab4 h ALA 149 N -0.06 0.14 -0.68 0.00 0.00 -1.19 -0.92 119.26 116.55 3ab4 h ALA 149 Ca -0.05 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3ab4 h ALA 149 Cb 0.46 0.67 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 3ab4 h ALA 149 CO 0.08 -0.58 0.37 -0.09 0.00 0.00 0.00 179.25 179.03 3ab4 h ARG 150 N -0.11 0.96 -0.83 0.00 2.43 -1.30 -2.04 114.38 113.50 3ab4 h ARG 150 Ca 0.26 -0.11 0.01 0.00 -0.81 0.00 0.00 59.98 59.33 3ab4 h ARG 150 Cb 0.53 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 29.85 3ab4 h ARG 150 CO -0.68 0.72 0.54 0.00 -1.51 0.00 0.00 179.97 179.05 3ab4 h ALA 151 N 1.18 1.40 -0.21 2.80 0.00 0.16 -2.07 119.26 122.52 3ab4 h ALA 151 Ca 0.24 -0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.90 3ab4 h ALA 151 Cb 0.05 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.50 3ab4 h ALA 151 CO -0.04 0.55 -0.63 -0.07 0.00 0.00 0.00 179.25 179.06 3ab4 h LEU 152 N 1.12 0.86 -0.40 0.00 3.38 -0.78 -0.95 115.31 118.55 3ab4 h LEU 152 Ca 0.30 -0.50 0.07 0.00 0.09 0.00 0.00 57.88 57.84 3ab4 h LEU 152 Cb -0.12 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.32 3ab4 h LEU 152 CO -0.06 1.28 0.05 0.45 0.09 0.00 0.00 178.44 180.25 3ab4 h HIS 153 N 0.56 0.08 0.31 1.13 3.86 -0.98 -1.47 115.15 118.64 3ab4 h HIS 153 Ca -0.01 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.21 3ab4 h HIS 153 Cb 1.23 0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.73 3ab4 h HIS 153 CO 0.07 -0.02 -0.15 0.93 0.86 0.00 0.00 177.93 179.62 3ab4 h GLU 154 N 0.17 -0.40 -0.69 2.45 4.39 -1.23 0.28 114.58 119.54 3ab4 h GLU 154 Ca 0.19 0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.91 3ab4 h GLU 154 Cb 0.25 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.96 3ab4 h GLU 154 CO -0.28 -0.10 0.37 1.96 -1.16 0.00 0.00 179.01 179.80 3ab4 h GLN 155 N -0.69 0.97 -0.37 2.33 1.08 -1.10 -2.44 115.11 114.90 3ab4 h GLN 155 Ca -0.04 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 57.04 3ab4 h GLN 155 Cb 0.48 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 3ab4 h GLN 155 CO 0.07 0.74 0.00 1.19 -0.95 0.00 0.00 178.83 179.88 3ab4 n PHE 156 N -4.49 0.47 -3.74 2.96 3.72 -0.56 -5.00 117.46 110.83 3ab4 n PHE 156 Ca 0.06 -0.24 -0.33 0.00 -0.05 0.00 0.00 57.45 56.89 3ab4 n PHE 156 Cb 0.10 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.67 3ab4 n PHE 156 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3ab4 n GLN 157 N 1.38 -1.04 0.00 -1.08 6.02 0.92 -5.02 117.38 118.56 3ab4 n GLN 157 Ca 0.19 0.43 0.00 0.00 -0.01 0.00 0.00 57.00 57.61 3ab4 n GLN 157 Cb 0.58 -3.78 0.00 0.00 1.02 0.00 0.00 30.24 28.07 3ab4 n GLN 157 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33