#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 0.40 -0.18 0.00 -7.23 0.20 -4.97 120.40 108.62 3ab4 s VAL 5 Ca 0.00 -1.37 -0.05 0.00 -1.81 0.00 0.00 61.98 58.75 3ab4 s VAL 5 Cb 0.00 -0.94 0.06 0.00 0.56 0.00 0.00 36.38 36.06 3ab4 s VAL 5 CO 0.00 -0.65 0.09 -0.76 -0.31 0.00 0.00 175.10 173.48 3ab4 s LEU 6 N -2.14 0.36 -0.02 1.32 1.43 -1.26 -1.70 118.68 116.67 3ab4 s LEU 6 Ca -0.03 -0.66 0.22 0.00 -1.03 0.00 0.00 54.13 52.62 3ab4 s LEU 6 Cb -0.03 -0.25 -0.33 0.00 0.03 0.00 0.00 46.19 45.61 3ab4 s LEU 6 CO -0.03 -0.36 0.51 0.35 0.23 0.00 0.00 176.35 177.05 3ab4 n THR 7 N 5.28 0.02 0.00 5.49 -2.24 -0.30 -4.97 114.28 117.55 3ab4 n THR 7 Ca -0.07 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 3ab4 n THR 7 Cb 0.48 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 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 1.26 -0.56 3.05 3.38 0.00 -1.20 -5.02 105.19 106.11 3ab4 n GLY 8 Ca -0.04 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.00 1.61 0.10 1.61 0.11 -1.26 -1.24 120.40 119.33 3ab4 s VAL 9 Ca 0.00 -0.68 0.05 0.00 -2.93 0.00 0.00 61.98 58.42 3ab4 s VAL 9 Cb 0.00 -1.48 -0.04 0.00 -1.53 0.00 0.00 36.38 33.33 3ab4 s VAL 9 CO 0.00 0.46 -0.02 0.00 -3.33 0.00 0.00 175.10 172.21 3ab4 s ALA 10 N 1.22 3.21 0.16 1.54 0.00 -0.85 -4.97 121.76 122.07 3ab4 s ALA 10 Ca -0.01 -1.16 0.06 0.00 0.00 0.00 0.00 51.96 50.86 3ab4 s ALA 10 Cb -0.14 -1.12 -0.04 0.00 0.00 0.00 0.00 23.12 21.82 3ab4 s ALA 10 CO -0.06 0.68 -0.13 0.95 0.00 0.00 0.00 175.76 177.19 3ab4 s THR 11 N -1.31 1.46 -0.17 0.00 -4.23 -1.26 -1.53 115.64 108.60 3ab4 s THR 11 Ca 0.25 -1.99 -0.17 0.00 -1.18 0.00 0.00 61.69 58.59 3ab4 s THR 11 Cb -0.11 -1.82 0.05 0.00 1.34 0.00 0.00 72.50 71.96 3ab4 s THR 11 CO 0.17 -0.56 0.48 -0.62 -0.54 0.00 0.00 174.62 173.56 3ab4 s ASP 12 N -2.96 -0.50 -0.02 3.99 -1.08 -0.78 -5.02 116.67 110.31 3ab4 s ASP 12 Ca 0.16 0.94 0.12 0.00 -0.52 0.00 0.00 52.55 53.25 3ab4 s ASP 12 Cb -0.02 0.96 0.21 0.00 -1.46 0.00 0.00 42.92 42.61 3ab4 s ASP 12 CO 0.04 -0.18 1.09 2.29 0.52 0.00 0.00 175.17 178.92 3ab4 n LYS 13 N 2.74 0.14 0.00 4.34 2.85 -1.26 -1.95 118.16 125.02 3ab4 n LYS 13 Ca -0.14 -1.59 0.12 0.00 -1.05 0.00 0.00 58.31 55.66 3ab4 n LYS 13 Cb 0.57 -0.40 0.28 0.00 -0.65 0.00 0.00 35.03 34.82 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 0.07 1.26 -4.35 -5.58 3.41 -1.26 -4.96 113.62 102.21 3ab4 n SER 14 Ca 0.04 -1.03 -0.19 0.00 -0.26 0.00 0.00 58.87 57.43 3ab4 n SER 14 Cb 0.88 0.23 -0.10 0.00 -0.26 0.00 0.00 64.21 64.96 3ab4 n SER 14 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 3ab4 s GLU 15 N -2.51 1.34 0.31 4.33 -1.05 -1.26 -0.97 118.70 118.90 3ab4 s GLU 15 Ca 0.23 -1.59 0.07 0.00 -0.15 0.00 0.00 54.97 53.52 3ab4 s GLU 15 Cb 0.19 -1.14 -0.02 0.00 -0.44 0.00 0.00 34.13 32.71 3ab4 s GLU 15 CO 0.54 0.19 0.32 0.00 0.95 0.00 0.00 175.26 177.26 3ab4 s ALA 16 N -2.95 3.89 -0.18 -0.84 0.00 0.49 -4.37 121.76 117.79 3ab4 s ALA 16 Ca 0.23 -1.54 -0.01 0.00 0.00 0.00 0.00 51.96 50.64 3ab4 s ALA 16 Cb -0.01 -1.35 0.01 0.00 0.00 0.00 0.00 23.12 21.77 3ab4 s ALA 16 CO 0.07 0.06 -0.14 0.21 0.00 0.00 0.00 175.76 175.96 3ab4 s LYS 17 N -4.01 3.16 -0.12 0.00 2.20 0.24 -2.48 119.74 118.74 3ab4 s LYS 17 Ca 0.40 -0.75 0.00 0.00 -0.36 0.00 0.00 55.97 55.26 3ab4 s LYS 17 Cb -0.07 -2.70 0.02 0.00 -1.51 0.00 0.00 37.83 33.57 3ab4 s LYS 17 CO 0.27 -0.13 -0.11 0.14 -0.36 0.00 0.00 175.35 175.16 3ab4 s VAL 18 N 1.19 1.26 -0.22 4.02 -7.23 -0.71 -1.00 120.40 117.72 3ab4 s VAL 18 Ca 0.02 -0.46 -0.05 0.00 -1.81 0.00 0.00 61.98 59.68 3ab4 s VAL 18 Cb -0.14 -1.22 -0.02 0.00 0.56 0.00 0.00 36.38 35.56 3ab4 s VAL 18 CO -0.06 0.40 0.01 -0.89 -0.31 0.00 0.00 175.10 174.25 3ab4 s THR 19 N 1.45 3.87 -0.33 5.32 2.01 -0.43 -1.43 115.64 126.11 3ab4 s THR 19 Ca 0.02 -0.33 -0.19 0.00 0.31 0.00 0.00 61.69 61.50 3ab4 s THR 19 Cb -0.13 -2.77 -0.01 0.00 0.01 0.00 0.00 72.50 69.60 3ab4 s THR 19 CO -0.07 0.40 0.57 -0.69 -0.69 0.00 0.00 174.62 174.14 3ab4 s VAL 20 N 1.32 4.97 -0.14 3.82 1.01 0.51 0.20 120.40 132.09 3ab4 s VAL 20 Ca 0.04 0.61 -0.15 0.00 0.00 0.00 0.00 61.98 62.49 3ab4 s VAL 20 Cb -0.15 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.21 3ab4 s VAL 20 CO 0.01 -0.18 0.34 -0.76 0.00 0.00 0.00 175.10 174.51 3ab4 s LEU 21 N 2.52 4.26 0.00 3.92 1.43 0.12 -1.90 118.68 129.03 3ab4 s LEU 21 Ca 0.22 0.61 0.00 0.00 -1.03 0.00 0.00 54.13 53.93 3ab4 s LEU 21 Cb -0.15 -2.46 0.00 0.00 0.03 0.00 0.00 46.19 43.61 3ab4 s LEU 21 CO 0.13 0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.41 3ab4 n GLY 22 N 3.26 0.95 3.72 -3.19 0.00 -1.05 -0.30 105.19 108.57 3ab4 n GLY 22 Ca -0.11 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.51 4.09 0.03 -0.61 1.09 -0.11 -4.15 121.20 119.02 3ab4 s ILE 23 Ca 0.00 1.52 -0.30 0.00 -1.10 0.00 0.00 60.65 60.77 3ab4 s ILE 23 Cb 0.00 -3.98 -0.06 0.00 -1.06 0.00 0.00 42.46 37.36 3ab4 s ILE 23 CO 0.00 0.13 1.44 -0.94 -0.10 0.00 0.00 174.94 175.47 3ab4 s SER 24 N 0.95 6.81 -1.53 3.58 1.04 -1.26 -1.28 113.70 122.00 3ab4 s SER 24 Ca 0.57 2.21 -0.11 0.00 0.48 0.00 0.00 55.95 59.10 3ab4 s SER 24 Cb -0.29 -2.56 -0.02 0.00 0.10 0.00 0.00 66.02 63.25 3ab4 s SER 24 CO 0.30 -0.73 2.62 -0.67 0.98 0.00 0.00 173.24 175.73 3ab4 n ASP 25 N 5.18 6.80 -4.24 7.02 2.03 -0.98 -4.77 116.55 127.60 3ab4 n ASP 25 Ca 0.13 -2.73 -0.18 0.00 0.52 0.00 0.00 54.79 52.54 3ab4 n ASP 25 Cb 0.43 -1.58 -0.11 0.00 -0.72 0.00 0.00 41.12 39.14 3ab4 n ASP 25 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 3ab4 s LYS 26 N 2.26 1.01 0.29 -0.67 -2.85 -1.26 -5.01 119.74 113.51 3ab4 s LYS 26 Ca 0.59 -1.24 -0.30 0.00 -1.00 0.00 0.00 55.97 54.03 3ab4 s LYS 26 Cb 0.16 -0.88 -0.12 0.00 -2.06 0.00 0.00 37.83 34.94 3ab4 s LYS 26 CO -0.07 0.17 1.56 -2.30 0.10 0.00 0.00 175.35 174.81 3ab4 n PRO 27 N 0.52 2.61 0.00 1.78 -0.02 -1.26 -2.95 135.00 135.68 3ab4 n PRO 27 Ca -0.15 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 3ab4 n PRO 27 Cb 0.57 -2.69 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 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 2.05 0.15 0.14 -1.23 0.00 -1.26 -4.97 105.19 100.08 3ab4 n GLY 28 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 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 4.06 0.45 -0.15 1.61 4.39 -1.83 -3.24 114.58 119.85 3ab4 h GLU 29 Ca 0.00 -0.77 -0.01 0.00 0.34 0.00 0.00 59.36 58.93 3ab4 h GLU 29 Cb 0.00 0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 3ab4 h GLU 29 CO 0.00 1.36 0.07 0.00 -1.16 0.00 0.00 179.01 179.28 3ab4 h ALA 30 N 0.19 1.84 -0.01 3.43 0.00 -1.90 -2.70 119.26 120.11 3ab4 h ALA 30 Ca -0.28 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 3ab4 h ALA 30 Cb 2.12 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.84 3ab4 h ALA 30 CO 0.23 0.14 -0.23 0.00 0.00 0.00 0.00 179.25 179.38 3ab4 h ALA 31 N 1.87 1.60 -0.39 0.00 0.00 -1.97 -2.69 119.26 117.69 3ab4 h ALA 31 Ca 0.06 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 3ab4 h ALA 31 Cb 0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3ab4 h ALA 31 CO -0.01 0.30 -0.29 0.87 0.00 0.00 0.00 179.25 180.12 3ab4 h LYS 32 N 0.02 0.88 -0.16 0.00 1.57 -1.55 0.65 116.57 117.98 3ab4 h LYS 32 Ca 0.00 -0.43 0.01 0.00 -1.87 0.00 0.00 60.65 58.36 3ab4 h LYS 32 Cb 0.41 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 3ab4 h LYS 32 CO 0.03 1.08 0.07 0.28 -0.57 0.00 0.00 179.45 180.33 3ab4 h VAL 33 N 0.69 0.98 0.00 0.50 2.07 -1.52 -2.72 116.25 116.24 3ab4 h VAL 33 Ca 0.07 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 3ab4 h VAL 33 Cb 0.87 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 3ab4 h VAL 33 CO 0.08 0.03 -0.76 -0.26 0.02 0.00 0.00 177.57 176.68 3ab4 h PHE 34 N 0.15 0.00 -0.07 1.57 0.04 -1.47 -2.88 116.94 114.28 3ab4 h PHE 34 Ca 0.07 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.62 3ab4 h PHE 34 Cb 0.03 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.19 3ab4 h PHE 34 CO -0.10 0.09 -0.82 -0.09 -0.60 0.00 0.00 178.31 176.79 3ab4 h ARG 35 N 0.00 0.68 -0.33 1.51 9.65 -0.94 -1.68 114.38 123.27 3ab4 h ARG 35 Ca -0.02 -0.64 0.04 0.00 -1.10 0.00 0.00 59.98 58.26 3ab4 h ARG 35 Cb 1.09 0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 29.79 3ab4 h ARG 35 CO 0.01 1.24 0.12 0.00 2.80 0.00 0.00 179.97 184.14 3ab4 h ALA 36 N 0.45 0.38 -0.65 2.80 0.00 -1.52 0.68 119.26 121.39 3ab4 h ALA 36 Ca -0.08 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3ab4 h ALA 36 Cb 1.47 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.24 3ab4 h ALA 36 CO 0.17 -0.27 0.22 -0.07 0.00 0.00 0.00 179.25 179.29 3ab4 h LEU 37 N 0.27 0.93 0.00 0.00 4.07 -1.55 -3.15 115.31 115.88 3ab4 h LEU 37 Ca 0.15 -0.19 0.00 0.00 0.08 0.00 0.00 57.88 57.91 3ab4 h LEU 37 Cb 0.11 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 41.61 3ab4 h LEU 37 CO -0.15 0.87 -0.31 0.00 -1.08 0.00 0.00 178.44 177.77 3ab4 h ALA 38 N 1.09 0.83 -0.39 1.53 0.00 -0.79 -3.12 119.26 118.41 3ab4 h ALA 38 Ca 0.21 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.13 3ab4 h ALA 38 Cb 0.26 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3ab4 h ALA 38 CO -0.01 0.00 0.24 -0.44 0.00 0.00 0.00 179.25 179.04 3ab4 h ASP 39 N 0.00 0.40 0.00 0.00 3.32 0.39 -3.39 116.42 117.14 3ab4 h ASP 39 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3ab4 h ASP 39 Cb 0.91 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.37 3ab4 h ASP 39 CO 0.00 0.29 0.00 0.00 -1.72 0.00 0.00 179.24 177.81 3ab4 n ALA 40 N -2.23 0.00 -2.71 3.45 0.00 -1.18 -5.04 120.51 112.81 3ab4 n ALA 40 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.40 3ab4 n ALA 40 Cb 0.05 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.54 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 0.00 1.95 -2.32 0.00 1.02 -1.23 -4.96 120.64 115.10 3ab4 n GLU 41 Ca 0.00 -3.59 -0.43 0.00 -0.02 0.00 0.00 57.16 53.13 3ab4 n GLU 41 Cb 0.00 -1.67 -0.02 0.00 -0.02 0.00 0.00 31.44 29.72 3ab4 n GLU 41 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 3ab4 s ILE 42 N -3.88 3.82 -0.52 -3.67 2.07 -1.21 -4.97 121.20 112.85 3ab4 s ILE 42 Ca 0.31 0.81 -0.29 0.00 -1.41 0.00 0.00 60.65 60.07 3ab4 s ILE 42 Cb 0.35 -4.20 0.03 0.00 0.13 0.00 0.00 42.46 38.77 3ab4 s ILE 42 CO -0.02 -0.82 1.15 0.21 -1.91 0.00 0.00 174.94 173.54 3ab4 s ASN 43 N 4.36 6.55 0.37 4.50 3.84 -1.26 -4.65 114.94 128.65 3ab4 s ASN 43 Ca 0.61 0.31 -0.10 0.00 0.21 0.00 0.00 52.86 53.89 3ab4 s ASN 43 Cb -0.14 -2.55 -0.06 0.00 -0.55 0.00 0.00 41.25 37.95 3ab4 s ASN 43 CO 0.31 -1.34 0.72 0.27 -2.79 0.00 0.00 177.10 174.27 3ab4 s ILE 44 N 4.63 4.83 0.00 -5.21 -4.36 -1.26 -4.57 121.20 115.26 3ab4 s ILE 44 Ca 0.46 0.52 0.00 0.00 -0.26 0.00 0.00 60.65 61.37 3ab4 s ILE 44 Cb -0.07 -3.72 0.00 0.00 1.25 0.00 0.00 42.46 39.92 3ab4 s ILE 44 CO 0.29 -0.45 0.00 -0.67 0.24 0.00 0.00 174.94 174.35 3ab4 n ASP 45 N -1.13 0.00 -4.79 4.36 2.03 -0.69 -5.02 116.55 111.30 3ab4 n ASP 45 Ca 0.02 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 54.97 3ab4 n ASP 45 Cb 0.54 0.00 -0.06 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 0.00 4.38 0.00 -0.67 -1.94 -1.25 -4.84 119.30 114.98 3ab4 s MET 46 Ca 0.00 1.29 0.01 0.00 -1.71 0.00 0.00 55.69 55.28 3ab4 s MET 46 Cb 0.00 -2.54 -0.01 0.00 2.01 0.00 0.00 34.83 34.30 3ab4 s MET 46 CO 0.00 0.09 -0.02 0.08 -0.01 0.00 0.00 175.02 175.16 3ab4 s VAL 47 N -1.81 0.17 -0.17 -6.03 1.01 -1.26 -1.29 120.40 111.02 3ab4 s VAL 47 Ca 0.56 -0.25 -0.05 0.00 0.00 0.00 0.00 61.98 62.23 3ab4 s VAL 47 Cb -0.16 -0.18 0.08 0.00 0.00 0.00 0.00 36.38 36.12 3ab4 s VAL 47 CO 0.21 -0.05 0.33 -0.76 0.00 0.00 0.00 175.10 174.83 3ab4 s LEU 48 N -0.32 -0.46 -0.10 3.92 1.02 -0.24 -4.99 118.68 117.51 3ab4 s LEU 48 Ca -0.02 0.70 0.04 0.00 0.02 0.00 0.00 54.13 54.87 3ab4 s LEU 48 Cb -0.02 0.98 0.00 0.00 0.02 0.00 0.00 46.19 47.17 3ab4 s LEU 48 CO -0.00 -0.24 -0.24 -1.58 0.02 0.00 0.00 176.35 174.31 3ab4 s GLN 49 N 2.50 3.05 0.00 1.70 0.74 -1.26 -1.51 119.66 124.88 3ab4 s GLN 49 Ca 0.01 -0.88 0.00 0.00 0.05 0.00 0.00 55.36 54.54 3ab4 s GLN 49 Cb -0.12 -2.31 0.00 0.00 1.10 0.00 0.00 33.01 31.67 3ab4 s GLN 49 CO -0.11 0.16 0.00 -1.71 -0.55 0.00 0.00 175.29 173.08 3ab4 n ASN 50 N 3.57 0.00 -3.86 6.67 2.85 -1.26 -5.09 115.26 118.14 3ab4 n ASN 50 Ca -0.19 0.00 -0.09 0.00 -0.11 0.00 0.00 54.58 54.19 3ab4 n ASN 50 Cb 0.53 -0.10 -0.07 0.00 1.24 0.00 0.00 39.78 41.38 3ab4 n ASN 50 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 3ab4 s VAL 51 N -0.49 0.11 0.00 3.44 -7.23 -1.26 -5.10 120.40 109.88 3ab4 s VAL 51 Ca 0.00 -1.16 0.00 0.00 -1.81 0.00 0.00 61.98 59.01 3ab4 s VAL 51 Cb 0.00 -1.46 0.00 0.00 0.56 0.00 0.00 36.38 35.48 3ab4 s VAL 51 CO 0.00 -0.51 0.00 2.22 -0.31 0.00 0.00 175.10 176.50 3ab4 n PHE 52 N -0.13 -2.49 0.00 2.82 -1.74 -1.26 -4.53 117.46 110.13 3ab4 n PHE 52 Ca -0.13 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.76 3ab4 n PHE 52 Cb 0.63 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.63 3ab4 n PHE 52 CO 0.00 0.00 0.00 -0.25 -0.56 0.00 0.00 176.76 175.95 3ab4 n ASP 56 N -2.19 0.00 -0.00 5.98 9.92 -1.26 -4.70 116.55 124.30 3ab4 n ASP 56 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 3ab4 n ASP 56 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 3ab4 n ASP 56 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3ab4 n GLY 57 N 0.00 1.08 3.12 0.44 0.00 -1.26 -5.07 105.19 103.50 3ab4 n GLY 57 Ca 0.00 -0.50 -0.08 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.01 0.18 0.34 2.61 -4.23 -1.26 -2.32 115.64 108.95 3ab4 s THR 58 Ca 0.00 -1.77 0.04 0.00 -1.18 0.00 0.00 61.69 58.79 3ab4 s THR 58 Cb 0.00 -1.65 -0.03 0.00 1.34 0.00 0.00 72.50 72.16 3ab4 s THR 58 CO 0.00 -0.81 0.18 0.28 -0.54 0.00 0.00 174.62 173.73 3ab4 s THR 59 N -3.95 0.31 -0.03 3.99 -1.32 -0.40 -4.53 115.64 109.71 3ab4 s THR 59 Ca 0.12 -2.00 0.07 0.00 -1.21 0.00 0.00 61.69 58.66 3ab4 s THR 59 Cb 0.07 -2.46 -0.02 0.00 -1.51 0.00 0.00 72.50 68.59 3ab4 s THR 59 CO -0.07 0.00 -0.23 -1.81 -2.21 0.00 0.00 174.62 170.30 3ab4 s ASP 60 N -3.44 2.77 -0.09 8.08 1.01 -1.26 -0.93 116.67 122.80 3ab4 s ASP 60 Ca 0.33 -0.44 0.02 0.00 0.71 0.00 0.00 52.55 53.18 3ab4 s ASP 60 Cb 0.04 -0.44 -0.02 0.00 1.01 0.00 0.00 42.92 43.51 3ab4 s ASP 60 CO 0.19 0.27 -0.15 -0.63 0.21 0.00 0.00 175.17 175.06 3ab4 s ILE 61 N -0.43 2.89 -0.09 0.77 1.01 -0.80 -4.11 121.20 120.45 3ab4 s ILE 61 Ca 0.05 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 59.97 3ab4 s ILE 61 Cb -0.10 -2.16 0.02 0.00 0.01 0.00 0.00 42.46 40.22 3ab4 s ILE 61 CO 0.00 0.56 -0.10 0.42 0.00 0.00 0.00 174.94 175.82 3ab4 s THR 62 N -0.12 1.08 0.49 2.92 -4.23 -0.57 -0.36 115.64 114.85 3ab4 s THR 62 Ca -0.02 -0.39 0.03 0.00 -1.18 0.00 0.00 61.69 60.12 3ab4 s THR 62 Cb -0.14 -1.04 -0.03 0.00 1.34 0.00 0.00 72.50 72.64 3ab4 s THR 62 CO 0.04 0.36 0.02 0.72 -0.54 0.00 0.00 174.62 175.22 3ab4 s PHE 63 N 1.11 2.02 0.15 3.99 -0.12 -0.51 -1.08 117.98 123.53 3ab4 s PHE 63 Ca -0.06 -0.88 0.05 0.00 -0.05 0.00 0.00 56.93 55.99 3ab4 s PHE 63 Cb -0.14 -1.67 -0.04 0.00 -0.63 0.00 0.00 43.02 40.54 3ab4 s PHE 63 CO -0.02 0.26 -0.11 0.95 -0.05 0.00 0.00 175.22 176.25 3ab4 s THR 64 N -2.83 1.27 0.10 -4.49 -4.23 -0.41 -1.73 115.64 103.32 3ab4 s THR 64 Ca 0.14 -2.00 -0.25 0.00 -1.18 0.00 0.00 61.69 58.40 3ab4 s THR 64 Cb 0.03 -1.79 0.07 0.00 1.34 0.00 0.00 72.50 72.16 3ab4 s THR 64 CO 0.07 -0.65 0.62 0.00 -0.54 0.00 0.00 174.62 174.12 3ab4 n PRO 66 N -0.01 2.32 -0.29 0.00 -0.04 -1.26 -0.38 135.00 135.34 3ab4 n PRO 66 Ca -0.18 0.82 0.24 0.00 -0.04 0.00 0.00 63.50 64.35 3ab4 n PRO 66 Cb 0.63 -2.52 0.56 0.00 -0.04 0.00 0.00 33.50 32.13 3ab4 n PRO 66 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ab4 h ARG 67 N 4.09 0.31 -0.94 0.54 3.08 -1.32 -0.21 114.38 119.92 3ab4 h ARG 67 Ca -0.46 -0.02 0.15 0.00 0.07 0.00 0.00 59.98 59.72 3ab4 h ARG 67 Cb 1.26 -0.07 -0.16 0.00 0.08 0.00 0.00 29.97 31.08 3ab4 h ARG 67 CO 0.74 0.20 -0.36 1.03 -1.07 0.00 0.00 179.97 180.52 3ab4 h SER 68 N 0.32 -1.31 -0.58 7.04 0.87 -1.88 -1.05 113.55 116.95 3ab4 h SER 68 Ca 0.54 0.30 0.00 0.00 -1.23 0.00 0.00 61.79 61.40 3ab4 h SER 68 Cb 1.53 0.71 0.00 0.00 -0.44 0.00 0.00 62.40 64.20 3ab4 h SER 68 CO -0.21 -0.30 0.00 0.47 -0.53 0.00 0.00 176.83 176.27 3ab4 n ASP 69 N -5.49 3.60 0.12 6.23 10.43 -0.10 -4.46 116.55 126.88 3ab4 n ASP 69 Ca 0.10 -2.17 -0.03 0.00 2.57 0.00 0.00 54.79 55.27 3ab4 n ASP 69 Cb 0.41 -0.46 0.12 0.00 1.84 0.00 0.00 41.12 43.03 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 4.58 0.03 0.80 0.44 0.00 -1.08 0.17 103.07 108.01 3ab4 h GLY 70 Ca 0.00 -0.05 -0.14 0.00 0.00 0.00 0.00 47.33 47.14 3ab4 h GLY 70 CO 0.09 0.04 -0.51 0.07 0.00 0.00 0.00 176.54 176.24 3ab4 h ARG 71 N 0.02 0.44 0.62 4.80 -0.00 -1.78 -3.38 114.38 115.11 3ab4 h ARG 71 Ca -0.01 -0.40 -0.03 0.00 -0.00 0.00 0.00 59.98 59.54 3ab4 h ARG 71 Cb 1.20 0.10 0.01 0.00 -0.00 0.00 0.00 29.97 31.28 3ab4 h ARG 71 CO 0.09 1.05 -0.30 0.07 -0.00 0.00 0.00 179.97 180.88 3ab4 h ARG 72 N -0.03 -0.81 -5.51 0.08 0.11 -1.83 -1.91 114.38 104.48 3ab4 h ARG 72 Ca -0.05 0.06 -0.37 0.00 0.10 0.00 0.00 59.98 59.72 3ab4 h ARG 72 Cb 1.18 0.18 -0.04 0.00 1.11 0.00 0.00 29.97 32.40 3ab4 h ARG 72 CO 0.10 -0.54 1.20 0.00 0.10 0.00 0.00 179.97 180.83 3ab4 s ALA 73 N -4.68 1.97 0.00 0.08 0.00 0.58 0.42 121.76 120.14 3ab4 s ALA 73 Ca -0.12 -2.24 0.00 0.00 0.00 0.00 0.00 51.96 49.60 3ab4 s ALA 73 Cb 0.01 -4.67 0.00 0.00 0.00 0.00 0.00 23.12 18.46 3ab4 s ALA 73 CO 0.37 -5.02 0.00 -0.12 0.00 0.00 0.00 175.76 170.99 3ab4 n MET 74 N 8.30 0.00 0.08 0.00 0.00 -1.25 -4.70 117.12 119.54 3ab4 n MET 74 Ca 0.45 0.00 -0.13 0.00 0.00 0.00 0.00 57.70 58.02 3ab4 n MET 74 Cb 0.46 0.00 -0.08 0.00 0.00 0.00 0.00 33.22 33.61 3ab4 n MET 74 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 3ab4 h GLU 75 N 0.00 -0.14 -6.23 2.12 5.08 0.82 -2.74 114.58 113.49 3ab4 h GLU 75 Ca 0.00 0.01 -0.57 0.00 -1.00 0.00 0.00 59.36 57.80 3ab4 h GLU 75 Cb 0.00 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.23 3ab4 h GLU 75 CO 0.00 0.04 0.87 0.42 -1.00 0.00 0.00 179.01 179.34 3ab4 s ILE 76 N -5.56 4.44 0.00 3.13 1.09 -0.49 -2.98 121.20 120.83 3ab4 s ILE 76 Ca -0.14 1.69 0.00 0.00 -1.10 0.00 0.00 60.65 61.10 3ab4 s ILE 76 Cb 0.04 -4.26 0.00 0.00 -1.06 0.00 0.00 42.46 37.18 3ab4 s ILE 76 CO 0.65 -0.34 0.00 0.18 -0.10 0.00 0.00 174.94 175.32 3ab4 n LEU 77 N 6.83 0.00 0.01 2.97 4.77 -1.26 -4.66 117.00 125.65 3ab4 n LEU 77 Ca 0.13 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.93 3ab4 n LEU 77 Cb 0.46 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.42 3ab4 n LEU 77 CO 0.57 0.00 0.20 0.11 -1.33 0.00 0.00 177.39 176.95 3ab4 h LYS 78 N 0.05 0.27 -7.12 3.23 1.79 -1.41 -3.31 116.57 110.05 3ab4 h LYS 78 Ca 0.00 -0.37 -0.52 0.00 -2.18 0.00 0.00 60.65 57.58 3ab4 h LYS 78 Cb 0.00 0.13 0.11 0.00 -1.58 0.00 0.00 32.23 30.89 3ab4 h LYS 78 CO 0.00 1.12 0.44 -1.59 -1.08 0.00 0.00 179.45 178.34 3ab4 s LYS 79 N -2.72 2.87 0.00 3.15 0.00 -1.16 -2.25 119.74 119.63 3ab4 s LYS 79 Ca -0.15 1.72 0.00 0.00 0.00 0.00 0.00 55.97 57.54 3ab4 s LYS 79 Cb 0.01 -1.93 0.00 0.00 0.00 0.00 0.00 37.83 35.91 3ab4 s LYS 79 CO 0.80 -1.26 0.00 1.28 0.00 0.00 0.00 175.35 176.17 3ab4 n LEU 80 N -1.85 0.00 0.14 2.77 4.77 -1.24 -4.58 117.00 117.01 3ab4 n LEU 80 Ca 0.13 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.11 3ab4 n LEU 80 Cb 0.50 0.00 0.30 0.00 -2.33 0.00 0.00 43.42 41.89 3ab4 n LEU 80 CO 0.45 0.00 0.70 -0.61 -1.33 0.00 0.00 177.39 176.60 3ab4 h GLN 81 N 0.00 0.12 0.00 3.23 4.15 -1.60 -0.88 115.11 120.14 3ab4 h GLN 81 Ca 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.37 3ab4 h GLN 81 Cb 0.00 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.68 3ab4 h GLN 81 CO 0.00 0.48 0.00 1.55 -1.93 0.00 0.00 178.83 178.93 3ab4 n VAL 82 N -4.08 0.03 -3.07 2.39 3.14 -0.95 -4.55 118.33 111.23 3ab4 n VAL 82 Ca -0.02 0.01 -0.00 0.00 -2.96 0.00 0.00 64.34 61.37 3ab4 n VAL 82 Cb 0.43 -0.52 0.00 0.00 -1.06 0.00 0.00 33.84 32.69 3ab4 n VAL 82 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3ab4 n GLN 83 N -1.37 -1.34 0.00 1.45 3.00 -0.33 -5.10 117.38 113.69 3ab4 n GLN 83 Ca 0.11 1.49 0.00 0.00 -0.01 0.00 0.00 57.00 58.59 3ab4 n GLN 83 Cb 0.28 -5.76 0.00 0.00 0.00 0.00 0.00 30.24 24.75 3ab4 n GLN 83 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.06 174.39 3ab4 n TRP 86 N -1.80 0.00 0.16 1.08 2.14 -1.26 -3.63 117.44 114.12 3ab4 n TRP 86 Ca -0.00 0.00 -0.13 0.00 2.07 0.00 0.00 57.50 59.44 3ab4 n TRP 86 Cb 0.50 0.00 -0.08 0.00 -0.81 0.00 0.00 31.31 30.92 3ab4 n TRP 86 CO 0.00 0.00 0.00 1.15 2.07 0.00 0.00 177.69 180.91 3ab4 h THR 87 N 0.00 0.68 -1.65 -1.67 2.02 -0.82 -3.47 112.91 108.00 3ab4 h THR 87 Ca 0.00 -0.60 0.05 0.00 0.77 0.00 0.00 66.41 66.64 3ab4 h THR 87 Cb 0.00 0.98 -0.22 0.00 -1.74 0.00 0.00 68.15 67.17 3ab4 h THR 87 CO 0.00 0.11 0.48 0.21 0.37 0.00 0.00 175.52 176.69 3ab4 s ASN 88 N -5.07 -0.42 -0.25 4.18 2.47 -1.14 -5.01 114.94 109.69 3ab4 s ASN 88 Ca -0.14 0.46 0.01 0.00 0.42 0.00 0.00 52.86 53.61 3ab4 s ASN 88 Cb 0.02 0.35 0.04 0.00 -1.45 0.00 0.00 41.25 40.22 3ab4 s ASN 88 CO 0.54 -0.40 -0.10 -0.69 -3.72 0.00 0.00 177.10 172.73 3ab4 s VAL 89 N -1.15 2.38 0.19 -5.21 1.01 -1.26 0.12 120.40 116.47 3ab4 s VAL 89 Ca -0.03 -1.36 -0.04 0.00 0.00 0.00 0.00 61.98 60.54 3ab4 s VAL 89 Cb -0.00 -2.29 -0.05 0.00 0.00 0.00 0.00 36.38 34.04 3ab4 s VAL 89 CO 0.03 0.11 0.43 -1.48 0.00 0.00 0.00 175.10 174.19 3ab4 s LEU 90 N 1.20 4.21 0.02 3.92 -0.00 0.13 -4.94 118.68 123.22 3ab4 s LEU 90 Ca -0.04 0.59 0.00 0.00 -0.00 0.00 0.00 54.13 54.68 3ab4 s LEU 90 Cb -0.18 -3.35 -0.02 0.00 -0.00 0.00 0.00 46.19 42.64 3ab4 s LEU 90 CO -0.06 -0.03 -0.04 -0.47 -0.00 0.00 0.00 176.35 175.76 3ab4 s TYR 91 N -1.81 0.31 -0.29 3.48 5.04 -1.26 -1.32 117.35 121.50 3ab4 s TYR 91 Ca 0.41 -0.53 -0.10 0.00 -2.44 0.00 0.00 57.07 54.41 3ab4 s TYR 91 Cb -0.11 -0.21 0.12 0.00 0.35 0.00 0.00 41.96 42.10 3ab4 s TYR 91 CO 0.26 -0.18 0.63 0.34 -1.34 0.00 0.00 175.55 175.27 3ab4 s ASP 92 N -1.48 -1.04 -0.16 4.32 2.15 -0.17 -4.99 116.67 115.30 3ab4 s ASP 92 Ca -0.15 1.51 0.14 0.00 0.43 0.00 0.00 52.55 54.48 3ab4 s ASP 92 Cb -0.10 2.12 0.39 0.00 -0.30 0.00 0.00 42.92 45.03 3ab4 s ASP 92 CO -0.01 -0.22 1.20 -0.90 -0.17 0.00 0.00 175.17 175.07 3ab4 n ASP 93 N 5.33 1.66 -2.40 -0.34 5.75 -1.26 0.82 116.55 126.10 3ab4 n ASP 93 Ca -0.13 -3.47 -0.29 0.00 -0.01 0.00 0.00 54.79 50.89 3ab4 n ASP 93 Cb 0.50 -0.47 0.02 0.00 -1.03 0.00 0.00 41.12 40.14 3ab4 n ASP 93 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ab4 n GLN 94 N -0.91 3.29 -4.14 0.11 6.02 -1.26 -4.91 117.38 115.58 3ab4 n GLN 94 Ca 0.16 -4.11 -0.35 0.00 -0.01 0.00 0.00 57.00 52.70 3ab4 n GLN 94 Cb 0.75 -2.27 -0.09 0.00 1.02 0.00 0.00 30.24 29.65 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 -5.11 4.66 -0.16 5.09 1.01 -1.26 -1.63 120.40 123.00 3ab4 s VAL 95 Ca 0.51 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.40 3ab4 s VAL 95 Cb 0.42 -3.04 0.03 0.00 0.00 0.00 0.00 36.38 33.79 3ab4 s VAL 95 CO -0.14 0.53 -0.14 -0.83 0.00 0.00 0.00 175.10 174.52 3ab4 s GLY 96 N -0.18 1.18 -0.36 4.51 0.00 -0.09 -4.67 107.32 107.71 3ab4 s GLY 96 Ca 0.07 -1.00 -0.13 0.00 0.00 0.00 0.00 44.72 43.65 3ab4 s GLY 96 CO 0.02 0.54 0.25 1.25 0.00 0.00 0.00 173.10 175.16 3ab4 s LYS 97 N 1.45 3.34 -0.14 2.90 2.20 -0.82 -0.55 119.74 128.11 3ab4 s LYS 97 Ca 0.04 -0.75 -0.02 0.00 -0.36 0.00 0.00 55.97 54.87 3ab4 s LYS 97 Cb -0.14 -3.83 -0.02 0.00 -1.51 0.00 0.00 37.83 32.33 3ab4 s LYS 97 CO -0.10 -0.52 -0.06 0.14 -0.36 0.00 0.00 175.35 174.44 3ab4 s VAL 98 N 1.70 3.67 0.03 4.02 -7.23 -1.07 -1.86 120.40 119.66 3ab4 s VAL 98 Ca 0.06 -0.45 0.08 0.00 -1.81 0.00 0.00 61.98 59.86 3ab4 s VAL 98 Cb -0.18 -2.58 -0.03 0.00 0.56 0.00 0.00 36.38 34.16 3ab4 s VAL 98 CO 0.10 0.51 -0.24 -0.44 -0.31 0.00 0.00 175.10 174.72 3ab4 s SER 99 N 0.20 2.87 -0.21 4.85 0.01 -0.58 -2.03 113.70 118.81 3ab4 s SER 99 Ca -0.04 -0.54 -0.07 0.00 1.31 0.00 0.00 55.95 56.62 3ab4 s SER 99 Cb -0.14 -0.26 -0.03 0.00 0.21 0.00 0.00 66.02 65.79 3ab4 s SER 99 CO 0.03 0.23 0.05 -0.22 0.41 0.00 0.00 173.24 173.74 3ab4 s LEU 100 N -1.11 3.51 -0.03 2.44 2.96 0.94 -2.01 118.68 125.39 3ab4 s LEU 100 Ca 0.10 -0.10 -0.00 0.00 -0.22 0.00 0.00 54.13 53.90 3ab4 s LEU 100 Cb -0.09 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 3ab4 s LEU 100 CO 0.01 0.07 0.04 -0.69 -1.32 0.00 0.00 176.35 174.46 3ab4 s VAL 101 N 0.97 4.47 -0.93 1.68 1.01 -0.37 -1.61 120.40 125.62 3ab4 s VAL 101 Ca 0.03 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.61 3ab4 s VAL 101 Cb -0.14 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.26 3ab4 s VAL 101 CO 0.03 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.18 3ab4 n GLY 102 N 1.55 -0.79 3.64 4.51 0.00 -1.18 -1.15 105.19 111.77 3ab4 n GLY 102 Ca -0.15 -0.30 -0.04 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.17 -0.07 4.61 0.00 -0.69 -4.43 121.76 118.02 3ab4 s ALA 103 Ca 0.00 1.74 0.00 0.00 0.00 0.00 0.00 51.96 53.70 3ab4 s ALA 103 Cb 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 23.12 21.47 3ab4 s ALA 103 CO 0.00 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.02 3ab4 n GLY 104 N 1.38 0.48 0.31 0.00 0.00 -1.17 0.61 105.19 106.80 3ab4 n GLY 104 Ca -0.08 -0.42 0.20 0.00 0.00 0.00 0.00 46.02 45.72 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 0.54 0.00 -0.82 1.61 2.07 -1.86 -3.16 114.93 113.32 3ab4 h MET 105 Ca -0.01 0.00 0.02 0.00 -2.07 0.00 0.00 59.70 57.64 3ab4 h MET 105 Cb 0.08 0.00 -0.04 0.00 -1.87 0.00 0.00 31.60 29.77 3ab4 h MET 105 CO 0.02 0.00 0.53 -0.22 1.07 0.00 0.00 176.91 178.31 3ab4 h LYS 106 N 0.00 1.04 0.00 1.72 3.64 -1.89 -1.27 116.57 119.81 3ab4 h LYS 106 Ca 0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3ab4 h LYS 106 Cb 0.23 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3ab4 h LYS 106 CO 0.00 0.69 0.00 -1.13 -2.27 0.00 0.00 179.45 176.74 3ab4 n SER 107 N -4.54 0.00 -3.31 4.20 3.41 -1.19 -4.20 113.62 107.99 3ab4 n SER 107 Ca 0.09 -1.09 -0.25 0.00 -0.26 0.00 0.00 58.87 57.36 3ab4 n SER 107 Cb 0.05 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.92 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 -0.91 1.46 0.27 7.33 8.25 -0.48 -4.92 115.22 126.23 3ab4 n HIS 108 Ca 0.18 -3.83 0.18 0.00 -0.26 0.00 0.00 57.72 53.98 3ab4 n HIS 108 Cb 0.08 -0.43 0.94 0.00 1.12 0.00 0.00 29.99 31.70 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 4.14 0.00 -0.77 -0.41 0.13 -1.73 0.21 132.00 133.57 3ab4 h PRO 109 Ca 0.13 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 65.44 3ab4 h PRO 109 Cb 0.78 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.79 3ab4 h PRO 109 CO 0.63 0.00 0.19 0.78 -0.23 0.00 0.00 178.00 179.37 3ab4 h GLY 110 N 0.00 1.10 -0.18 1.56 0.00 -1.91 -0.06 103.07 103.58 3ab4 h GLY 110 Ca 0.04 -0.03 0.06 0.00 0.00 0.00 0.00 47.33 47.40 3ab4 h GLY 110 CO -0.00 -0.24 -0.41 -2.08 0.00 0.00 0.00 176.54 173.82 3ab4 h VAL 111 N 0.26 0.15 -0.36 4.60 2.07 -0.90 0.72 116.25 122.78 3ab4 h VAL 111 Ca 0.45 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.89 3ab4 h VAL 111 Cb 0.80 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 3ab4 h VAL 111 CO -0.55 0.00 -0.10 0.74 0.02 0.00 0.00 177.57 177.68 3ab4 h THR 112 N -0.36 1.24 -0.61 2.57 2.02 -1.53 -0.05 112.91 116.19 3ab4 h THR 112 Ca 0.13 -1.05 -0.09 0.00 0.77 0.00 0.00 66.41 66.17 3ab4 h THR 112 Cb 0.59 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 3ab4 h THR 112 CO -0.52 0.35 0.05 0.00 0.37 0.00 0.00 175.52 175.77 3ab4 h ALA 113 N 1.33 0.82 -0.23 6.16 0.00 0.22 -2.56 119.26 125.00 3ab4 h ALA 113 Ca 0.10 -0.29 -0.20 0.00 0.00 0.00 0.00 54.91 54.52 3ab4 h ALA 113 Cb 0.51 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.08 3ab4 h ALA 113 CO 0.03 0.62 -0.64 0.93 0.00 0.00 0.00 179.25 180.19 3ab4 h GLU 114 N 0.95 0.84 -0.64 0.00 5.08 0.71 -0.92 114.58 120.60 3ab4 h GLU 114 Ca 0.18 -0.60 0.13 0.00 -1.00 0.00 0.00 59.36 58.08 3ab4 h GLU 114 Cb 0.50 0.10 -0.10 0.00 0.50 0.00 0.00 28.75 29.74 3ab4 h GLU 114 CO 0.02 1.22 0.05 0.35 -1.00 0.00 0.00 179.01 179.65 3ab4 h PHE 115 N 0.60 0.04 -0.20 4.33 3.57 -0.99 0.44 116.94 124.73 3ab4 h PHE 115 Ca -0.02 0.04 -0.17 0.00 3.53 0.00 0.00 57.97 61.36 3ab4 h PHE 115 Cb 1.26 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 40.08 3ab4 h PHE 115 CO 0.08 -0.14 -0.57 0.52 -2.23 0.00 0.00 178.31 175.98 3ab4 h MET 116 N 0.16 0.63 -0.18 1.11 2.86 -1.29 -3.11 114.93 115.12 3ab4 h MET 116 Ca 0.34 -0.41 -0.20 0.00 -2.06 0.00 0.00 59.70 57.37 3ab4 h MET 116 Cb 0.55 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.26 3ab4 h MET 116 CO -0.51 1.03 -0.67 0.93 1.06 0.00 0.00 176.91 178.74 3ab4 h GLU 117 N 0.48 0.70 -0.60 1.72 5.08 -0.65 -2.63 114.58 118.69 3ab4 h GLU 117 Ca 0.01 -0.51 0.09 0.00 -1.00 0.00 0.00 59.36 57.94 3ab4 h GLU 117 Cb 1.13 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 30.40 3ab4 h GLU 117 CO 0.11 1.13 0.24 0.00 -1.00 0.00 0.00 179.01 179.49 3ab4 h ALA 118 N 0.73 0.77 0.02 3.43 0.00 -0.16 -1.52 119.26 122.54 3ab4 h ALA 118 Ca -0.02 0.07 -0.22 0.00 0.00 0.00 0.00 54.91 54.74 3ab4 h ALA 118 Cb 1.27 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 3ab4 h ALA 118 CO 0.13 -0.17 -0.97 -0.07 0.00 0.00 0.00 179.25 178.17 3ab4 h LEU 119 N 0.43 0.37 -0.56 0.00 4.07 -1.53 -3.15 115.31 114.93 3ab4 h LEU 119 Ca 0.30 -0.32 -0.16 0.00 0.08 0.00 0.00 57.88 57.78 3ab4 h LEU 119 Cb 0.35 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 41.96 3ab4 h LEU 119 CO -0.29 1.15 -0.60 0.08 -1.08 0.00 0.00 178.44 177.70 3ab4 h ARG 120 N 0.14 0.40 0.00 1.13 -0.00 -1.33 -0.69 114.38 114.02 3ab4 h ARG 120 Ca -0.07 -0.27 0.00 0.00 -0.00 0.00 0.00 59.98 59.64 3ab4 h ARG 120 Cb 1.62 0.04 0.00 0.00 -0.00 0.00 0.00 29.97 31.63 3ab4 h ARG 120 CO 0.16 0.88 0.00 -0.25 -0.00 0.00 0.00 179.97 180.75 3ab4 n ASP 121 N -3.91 0.00 -0.43 0.08 8.00 -0.59 -0.84 116.55 118.87 3ab4 n ASP 121 Ca -0.03 0.36 0.07 0.00 0.71 0.00 0.00 54.79 55.90 3ab4 n ASP 121 Cb 0.62 -0.41 0.16 0.00 -0.02 0.00 0.00 41.12 41.47 3ab4 n ASP 121 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3ab4 n VAL 122 N -1.41 1.78 -4.06 2.53 0.31 -0.91 -5.01 118.33 111.55 3ab4 n VAL 122 Ca 0.03 -1.77 -0.30 0.00 -0.01 0.00 0.00 64.34 62.30 3ab4 n VAL 122 Cb 0.10 -0.03 -0.02 0.00 -0.91 0.00 0.00 33.84 32.98 3ab4 n VAL 122 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 3ab4 n ASN 123 N -0.70 -1.68 -4.43 4.52 4.05 -0.02 -4.96 115.26 112.04 3ab4 n ASN 123 Ca 0.15 -1.00 -0.36 0.00 0.45 0.00 0.00 54.58 53.82 3ab4 n ASN 123 Cb 0.64 -2.97 -0.13 0.00 1.23 0.00 0.00 39.78 38.55 3ab4 n ASN 123 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 3ab4 s VAL 124 N -3.68 4.20 -0.03 3.44 1.01 -0.31 -5.02 120.40 120.01 3ab4 s VAL 124 Ca 0.32 -0.21 -0.26 0.00 0.00 0.00 0.00 61.98 61.82 3ab4 s VAL 124 Cb -0.17 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 3ab4 s VAL 124 CO 0.90 0.35 0.83 0.21 0.00 0.00 0.00 175.10 177.39 3ab4 s ASN 125 N 1.60 7.17 -0.48 3.32 2.47 -1.26 -4.39 114.94 123.37 3ab4 s ASN 125 Ca 0.06 1.41 -0.23 0.00 0.42 0.00 0.00 52.86 54.52 3ab4 s ASN 125 Cb -0.15 -2.49 0.03 0.00 -1.45 0.00 0.00 41.25 37.20 3ab4 s ASN 125 CO 0.03 -0.18 0.83 -0.63 -3.72 0.00 0.00 177.10 173.43 3ab4 s ILE 126 N 0.87 4.58 -0.12 -5.21 1.01 -1.26 -4.45 121.20 116.62 3ab4 s ILE 126 Ca 0.44 0.33 0.15 0.00 0.00 0.00 0.00 60.65 61.57 3ab4 s ILE 126 Cb -0.19 -4.39 -0.05 0.00 0.01 0.00 0.00 42.46 37.84 3ab4 s ILE 126 CO 0.23 -0.85 1.14 -0.33 0.00 0.00 0.00 174.94 175.13 3ab4 h GLU 127 N 9.08 0.00 -2.63 2.79 5.08 -1.63 -3.47 114.58 123.81 3ab4 h GLU 127 Ca -0.25 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.02 3ab4 h GLU 127 Cb 1.08 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.14 3ab4 h GLU 127 CO 1.00 0.44 -0.08 -1.17 -1.00 0.00 0.00 179.01 178.21 3ab4 s LEU 128 N -6.17 0.22 0.00 1.33 0.20 -0.96 -4.95 118.68 108.36 3ab4 s LEU 128 Ca 0.01 0.33 0.02 0.00 0.69 0.00 0.00 54.13 55.17 3ab4 s LEU 128 Cb 0.08 1.81 -0.01 0.00 -0.43 0.00 0.00 46.19 47.64 3ab4 s LEU 128 CO 0.78 -0.53 -0.06 -0.63 -0.29 0.00 0.00 176.35 175.62 3ab4 s ILE 129 N -1.37 0.46 -0.27 6.68 1.01 -1.26 -1.22 121.20 125.22 3ab4 s ILE 129 Ca -0.12 -0.34 -0.04 0.00 0.00 0.00 0.00 60.65 60.16 3ab4 s ILE 129 Cb -0.03 -0.41 0.15 0.00 0.01 0.00 0.00 42.46 42.19 3ab4 s ILE 129 CO 0.06 0.07 0.52 -0.55 0.00 0.00 0.00 174.94 175.04 3ab4 s SER 130 N -0.29 -0.72 0.27 3.58 0.15 0.79 -4.98 113.70 112.49 3ab4 s SER 130 Ca 0.01 0.84 0.04 0.00 0.70 0.00 0.00 55.95 57.53 3ab4 s SER 130 Cb -0.03 1.78 -0.06 0.00 -1.71 0.00 0.00 66.02 66.00 3ab4 s SER 130 CO -0.00 -0.26 0.02 0.42 1.20 0.00 0.00 173.24 174.62 3ab4 s THR 131 N 2.74 1.11 0.20 6.45 -4.23 -1.26 -1.11 115.64 119.54 3ab4 s THR 131 Ca 0.11 -2.03 -0.04 0.00 -1.18 0.00 0.00 61.69 58.54 3ab4 s THR 131 Cb -0.14 -2.51 0.02 0.00 1.34 0.00 0.00 72.50 71.20 3ab4 s THR 131 CO -0.18 -0.20 0.34 -1.54 -0.54 0.00 0.00 174.62 172.50 3ab4 n SER 132 N -0.52 -0.96 0.19 3.99 3.41 0.29 -4.98 113.62 115.05 3ab4 n SER 132 Ca -0.04 -1.92 0.08 0.00 -0.26 0.00 0.00 58.87 56.73 3ab4 n SER 132 Cb 0.65 1.68 0.61 0.00 -0.26 0.00 0.00 64.21 66.88 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 0.09 -0.19 4.33 4.39 -1.97 -3.11 114.58 118.13 3ab4 h GLU 133 Ca -0.16 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.53 3ab4 h GLU 133 Cb 0.64 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 3ab4 h GLU 133 CO 0.21 0.06 0.00 0.44 -1.16 0.00 0.00 179.01 178.56 3ab4 n ILE 134 N -4.52 1.12 -3.64 3.13 -5.35 -1.26 -2.98 119.36 105.86 3ab4 n ILE 134 Ca -0.01 -1.11 -0.08 0.00 -0.27 0.00 0.00 62.75 61.28 3ab4 n ILE 134 Cb 0.13 0.42 -0.07 0.00 -1.74 0.00 0.00 39.64 38.38 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 -1.20 0.50 -0.20 6.28 3.52 -1.17 -3.10 118.95 123.58 3ab4 s ARG 135 Ca 0.15 0.65 0.01 0.00 -0.13 0.00 0.00 55.73 56.42 3ab4 s ARG 135 Cb 0.09 0.22 0.03 0.00 -1.56 0.00 0.00 34.95 33.73 3ab4 s ARG 135 CO 0.08 -0.07 -0.16 0.42 -0.81 0.00 0.00 175.30 174.76 3ab4 s ILE 136 N 0.49 1.98 0.02 4.11 1.01 -0.63 0.11 121.20 128.29 3ab4 s ILE 136 Ca 0.00 -1.07 0.07 0.00 0.00 0.00 0.00 60.65 59.66 3ab4 s ILE 136 Cb -0.05 -1.89 -0.02 0.00 0.01 0.00 0.00 42.46 40.51 3ab4 s ILE 136 CO -0.08 0.36 -0.22 -0.44 0.00 0.00 0.00 174.94 174.56 3ab4 s SER 137 N 1.28 2.64 0.06 3.58 0.01 -0.27 -0.04 113.70 120.97 3ab4 s SER 137 Ca 0.01 -0.48 0.01 0.00 1.31 0.00 0.00 55.95 56.80 3ab4 s SER 137 Cb -0.15 -0.25 -0.03 0.00 0.21 0.00 0.00 66.02 65.79 3ab4 s SER 137 CO -0.10 0.22 -0.06 0.68 0.41 0.00 0.00 173.24 174.39 3ab4 s VAL 138 N -0.68 0.49 -0.11 3.43 -7.23 -0.86 -0.15 120.40 115.29 3ab4 s VAL 138 Ca 0.09 -1.48 -0.03 0.00 -1.81 0.00 0.00 61.98 58.75 3ab4 s VAL 138 Cb -0.09 -1.10 -0.03 0.00 0.56 0.00 0.00 36.38 35.72 3ab4 s VAL 138 CO 0.01 -0.67 -0.02 -0.76 -0.31 0.00 0.00 175.10 173.35 3ab4 s LEU 139 N -2.31 3.44 0.00 1.32 1.43 -0.36 -2.61 118.68 119.60 3ab4 s LEU 139 Ca -0.00 0.03 0.07 0.00 -1.03 0.00 0.00 54.13 53.20 3ab4 s LEU 139 Cb -0.02 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.38 3ab4 s LEU 139 CO -0.03 0.29 0.26 2.30 0.23 0.00 0.00 176.35 179.40 3ab4 n ILE 140 N 2.71 0.00 -1.79 -0.59 -5.35 0.29 -1.45 119.36 113.17 3ab4 n ILE 140 Ca -0.18 -2.30 -0.42 0.00 -0.27 0.00 0.00 62.75 59.58 3ab4 n ILE 140 Cb 0.53 1.12 -0.03 0.00 -1.74 0.00 0.00 39.64 39.52 3ab4 n ILE 140 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3ab4 s ARG 141 N -3.29 4.15 0.27 6.28 1.70 -1.26 -0.92 118.95 125.88 3ab4 s ARG 141 Ca 0.36 2.52 -0.02 0.00 -0.47 0.00 0.00 55.73 58.12 3ab4 s ARG 141 Cb 0.02 -3.28 0.57 0.00 -0.57 0.00 0.00 34.95 31.69 3ab4 s ARG 141 CO 0.26 -0.74 1.64 1.49 -1.08 0.00 0.00 175.30 176.86 3ab4 h GLU 142 N 7.42 0.15 -0.92 3.89 4.81 -1.58 0.49 114.58 128.84 3ab4 h GLU 142 Ca -0.44 -0.01 0.12 0.00 -0.13 0.00 0.00 59.36 58.91 3ab4 h GLU 142 Cb 1.21 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 30.48 3ab4 h GLU 142 CO 0.94 0.10 0.59 -0.44 -0.73 0.00 0.00 179.01 179.47 3ab4 h ASP 143 N 0.16 0.77 0.81 1.04 5.19 -1.90 -0.47 116.42 122.02 3ab4 h ASP 143 Ca 0.48 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.93 3ab4 h ASP 143 Cb 0.92 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.31 3ab4 h ASP 143 CO -0.66 0.41 0.00 0.47 -3.12 0.00 0.00 179.24 176.34 3ab4 n ASP 144 N -4.57 0.00 -0.14 6.45 8.00 0.16 -4.20 116.55 122.25 3ab4 n ASP 144 Ca 0.17 0.37 -0.04 0.00 0.71 0.00 0.00 54.79 56.01 3ab4 n ASP 144 Cb 0.39 -0.45 0.03 0.00 -0.02 0.00 0.00 41.12 41.07 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 -0.36 -0.65 0.64 5.85 -0.24 0.13 115.31 120.68 3ab4 h LEU 145 Ca 0.00 0.13 -0.11 0.00 0.84 0.00 0.00 57.88 58.74 3ab4 h LEU 145 Cb 0.40 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 3ab4 h LEU 145 CO 0.00 -0.13 -0.53 -0.78 -0.34 0.00 0.00 178.44 176.67 3ab4 h ASP 146 N 0.03 0.00 -0.45 1.25 1.82 -1.76 -2.07 116.42 115.23 3ab4 h ASP 146 Ca 0.22 0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.76 3ab4 h ASP 146 Cb 0.34 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.34 3ab4 h ASP 146 CO -0.45 0.53 -0.13 0.00 -1.61 0.00 0.00 179.24 177.58 3ab4 h ALA 147 N 1.47 0.63 0.33 -0.78 0.00 -1.48 -2.02 119.26 117.41 3ab4 h ALA 147 Ca -0.01 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 3ab4 h ALA 147 Cb 1.12 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3ab4 h ALA 147 CO 0.07 0.54 -0.16 0.00 0.00 0.00 0.00 179.25 179.70 3ab4 h ALA 148 N 0.87 -0.45 -0.93 0.00 0.00 -0.61 -2.35 119.26 115.79 3ab4 h ALA 148 Ca 0.11 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 54.99 3ab4 h ALA 148 Cb 0.68 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.57 3ab4 h ALA 148 CO 0.05 -0.71 0.57 0.00 0.00 0.00 0.00 179.25 179.16 3ab4 h ALA 149 N 0.12 1.33 -0.03 0.00 0.00 -1.37 -1.51 119.26 117.79 3ab4 h ALA 149 Ca -0.05 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3ab4 h ALA 149 Cb 0.39 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3ab4 h ALA 149 CO 0.08 0.26 0.01 0.00 0.00 0.00 0.00 179.25 179.59 3ab4 h ARG 150 N 0.98 0.05 -0.72 0.00 3.08 -1.25 -1.33 114.38 115.19 3ab4 h ARG 150 Ca 0.43 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.42 3ab4 h ARG 150 Cb 0.31 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 3ab4 h ARG 150 CO -0.22 0.21 0.26 0.00 -1.07 0.00 0.00 179.97 179.15 3ab4 h ALA 151 N 0.84 1.09 -0.79 0.04 0.00 -1.09 -2.02 119.26 117.31 3ab4 h ALA 151 Ca 0.01 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3ab4 h ALA 151 Cb 0.18 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3ab4 h ALA 151 CO -0.00 0.63 0.36 -0.07 0.00 0.00 0.00 179.25 180.18 3ab4 h LEU 152 N 1.06 1.06 -0.50 0.00 3.38 -1.21 -0.13 115.31 118.96 3ab4 h LEU 152 Ca 0.24 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.08 3ab4 h LEU 152 Cb 0.25 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 3ab4 h LEU 152 CO -0.01 0.91 0.30 0.45 0.09 0.00 0.00 178.44 180.18 3ab4 h HIS 153 N 1.13 0.57 -0.34 1.13 3.86 -0.70 -2.69 115.15 118.10 3ab4 h HIS 153 Ca 0.27 0.02 -0.16 0.00 -1.16 0.00 0.00 60.37 59.34 3ab4 h HIS 153 Cb 0.15 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.43 3ab4 h HIS 153 CO 0.01 0.33 -0.42 0.93 0.86 0.00 0.00 177.93 179.65 3ab4 h GLU 154 N 0.61 0.86 -0.62 2.45 3.07 -1.10 -2.81 114.58 117.04 3ab4 h GLU 154 Ca 0.20 -0.47 0.18 0.00 -0.50 0.00 0.00 59.36 58.76 3ab4 h GLU 154 Cb -0.00 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 27.91 3ab4 h GLU 154 CO -0.08 1.11 0.44 1.96 -1.40 0.00 0.00 179.01 181.05 3ab4 h GLN 155 N 0.70 0.01 -0.02 2.33 1.08 -0.91 -3.52 115.11 114.78 3ab4 h GLN 155 Ca 0.05 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 3ab4 h GLN 155 Cb 1.00 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.43 3ab4 h GLN 155 CO 0.10 0.01 0.00 1.19 -0.95 0.00 0.00 178.83 179.18