#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ab4 s LEU 3 N 0.00 4.28 -0.11 0.00 0.20 -1.26 -0.11 118.68 121.68 3ab4 s LEU 3 Ca 0.00 0.01 0.03 0.00 0.69 0.00 0.00 54.13 54.86 3ab4 s LEU 3 Cb 0.00 -2.88 0.01 0.00 -0.43 0.00 0.00 46.19 42.89 3ab4 s LEU 3 CO 0.00 -0.76 -0.19 0.54 -0.29 0.00 0.00 176.35 175.65 3ab4 s VAL 4 N 2.99 1.77 -0.09 1.68 0.11 0.18 -1.29 120.40 125.75 3ab4 s VAL 4 Ca 0.27 -0.83 -0.08 0.00 -2.93 0.00 0.00 61.98 58.42 3ab4 s VAL 4 Cb -0.13 -1.57 -0.04 0.00 -1.53 0.00 0.00 36.38 33.10 3ab4 s VAL 4 CO 0.19 0.50 0.18 -0.69 -3.33 0.00 0.00 175.10 171.94 3ab4 s VAL 5 N 0.69 5.44 -0.06 2.04 1.01 -1.09 -1.82 120.40 126.61 3ab4 s VAL 5 Ca -0.12 0.27 0.02 0.00 0.00 0.00 0.00 61.98 62.15 3ab4 s VAL 5 Cb -0.16 -3.45 0.02 0.00 0.00 0.00 0.00 36.38 32.78 3ab4 s VAL 5 CO 0.02 0.59 -0.09 -1.10 0.00 0.00 0.00 175.10 174.53 3ab4 s GLN 6 N -1.11 1.32 -0.15 2.72 -0.21 0.12 -0.51 119.66 121.84 3ab4 s GLN 6 Ca 0.17 -0.27 -0.01 0.00 0.02 0.00 0.00 55.36 55.27 3ab4 s GLN 6 Cb -0.13 -1.17 -0.01 0.00 1.00 0.00 0.00 33.01 32.70 3ab4 s GLN 6 CO 0.06 -0.03 -0.12 0.21 -2.12 0.00 0.00 175.29 173.30 3ab4 s LYS 7 N 0.82 3.36 -0.14 2.91 2.36 0.44 -0.02 119.74 129.47 3ab4 s LYS 7 Ca -0.12 -0.68 -0.02 0.00 -2.55 0.00 0.00 55.97 52.60 3ab4 s LYS 7 Cb -0.15 -2.71 -0.02 0.00 -1.05 0.00 0.00 37.83 33.90 3ab4 s LYS 7 CO 0.02 0.10 -0.08 0.71 1.55 0.00 0.00 175.35 177.64 3ab4 s TYR 8 N 0.65 2.92 0.91 4.03 2.02 -0.73 -0.20 117.35 126.94 3ab4 s TYR 8 Ca -0.06 -0.44 -0.14 0.00 -0.37 0.00 0.00 57.07 56.06 3ab4 s TYR 8 Cb -0.15 -1.89 0.16 0.00 -0.40 0.00 0.00 41.96 39.68 3ab4 s TYR 8 CO 0.02 -0.09 1.27 0.20 -1.57 0.00 0.00 175.55 175.39 3ab4 s GLY 9 N 0.27 1.72 0.24 0.71 0.00 -0.71 -1.51 107.32 108.04 3ab4 s GLY 9 Ca -0.06 -1.04 -0.07 0.00 0.00 0.00 0.00 44.72 43.56 3ab4 s GLY 9 CO 0.04 -0.36 1.86 -1.33 0.00 0.00 0.00 173.10 173.32 3ab4 h GLY 10 N -1.44 1.35 1.30 0.20 0.00 -1.79 -2.19 103.07 100.50 3ab4 h GLY 10 Ca -0.45 -0.60 -0.08 0.00 0.00 0.00 0.00 47.33 46.20 3ab4 h GLY 10 CO 0.47 0.58 0.00 1.48 0.00 0.00 0.00 176.54 179.07 3ab4 h SER 11 N 1.27 0.82 0.39 0.19 4.64 -1.87 0.20 113.55 119.19 3ab4 h SER 11 Ca 0.32 -0.20 -0.04 0.00 -0.47 0.00 0.00 61.79 61.39 3ab4 h SER 11 Cb 0.01 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 61.87 3ab4 h SER 11 CO -0.05 0.88 -0.21 0.28 -0.87 0.00 0.00 176.83 176.85 3ab4 h SER 12 N 0.79 0.00 -0.61 4.97 0.02 -1.81 -3.18 113.55 113.73 3ab4 h SER 12 Ca 0.15 0.00 -0.43 0.00 -0.84 0.00 0.00 61.79 60.67 3ab4 h SER 12 Cb 0.47 0.00 -0.30 0.00 0.14 0.00 0.00 62.40 62.71 3ab4 h SER 12 CO 0.02 0.21 -0.41 0.18 -1.14 0.00 0.00 176.83 175.69 3ab4 n LEU 13 N -3.85 4.88 0.11 5.07 4.77 -0.60 -4.26 117.00 123.11 3ab4 n LEU 13 Ca -0.02 -4.41 0.12 0.00 -0.03 0.00 0.00 56.01 51.68 3ab4 n LEU 13 Cb 0.31 -0.51 0.10 0.00 -2.33 0.00 0.00 43.42 40.99 3ab4 n LEU 13 CO 0.34 1.78 0.31 -0.08 -1.33 0.00 0.00 177.39 178.41 3ab4 h GLU 14 N 1.79 0.00 -4.00 3.23 4.81 -1.40 -3.35 114.58 115.65 3ab4 h GLU 14 Ca 0.33 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.43 3ab4 h GLU 14 Cb 1.39 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 30.65 3ab4 h GLU 14 CO 0.71 0.00 -0.33 -1.54 -0.73 0.00 0.00 179.01 177.12 3ab4 s SER 15 N -5.17 0.02 0.31 1.04 1.04 -1.26 -4.63 113.70 105.05 3ab4 s SER 15 Ca 0.03 -1.05 0.06 0.00 0.48 0.00 0.00 55.95 55.48 3ab4 s SER 15 Cb 0.10 0.48 0.74 0.00 0.10 0.00 0.00 66.02 67.44 3ab4 s SER 15 CO 0.74 -0.98 1.79 0.00 0.98 0.00 0.00 173.24 175.78 3ab4 h ALA 16 N 2.45 1.70 -0.58 5.32 0.00 -2.00 -1.24 119.26 124.91 3ab4 h ALA 16 Ca -0.31 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 3ab4 h ALA 16 Cb 1.24 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3ab4 h ALA 16 CO 0.45 -0.05 0.08 1.49 0.00 0.00 0.00 179.25 181.22 3ab4 h GLU 17 N 0.77 0.94 0.00 0.00 4.81 -1.99 -2.37 114.58 116.74 3ab4 h GLU 17 Ca 0.56 -0.24 -0.22 0.00 -0.13 0.00 0.00 59.36 59.33 3ab4 h GLU 17 Cb 0.86 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.09 3ab4 h GLU 17 CO -0.34 0.88 -1.18 0.00 -0.73 0.00 0.00 179.01 177.64 3ab4 h ARG 18 N 0.89 0.00 -0.02 1.92 2.47 -1.65 -2.28 114.38 115.70 3ab4 h ARG 18 Ca 0.18 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.90 3ab4 h ARG 18 Cb 0.41 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.73 3ab4 h ARG 18 CO 0.01 0.72 0.01 0.82 0.56 0.00 0.00 179.97 182.09 3ab4 h ILE 19 N 0.00 1.05 -0.87 2.04 2.04 -1.15 0.56 117.51 121.18 3ab4 h ILE 19 Ca -0.10 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 3ab4 h ILE 19 Cb 1.77 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 38.93 3ab4 h ILE 19 CO 0.10 0.04 0.49 0.03 0.00 0.00 0.00 178.15 178.81 3ab4 h ARG 20 N -0.03 1.20 -0.34 2.37 3.08 -1.46 0.59 114.38 119.79 3ab4 h ARG 20 Ca 0.01 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 3ab4 h ARG 20 Cb 0.06 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 3ab4 h ARG 20 CO -0.00 0.87 0.15 -0.97 -1.07 0.00 0.00 179.97 178.95 3ab4 h ASN 21 N 1.21 0.45 -0.54 7.04 -0.73 -1.00 -0.49 115.58 121.53 3ab4 h ASN 21 Ca 0.31 -0.14 -0.00 0.00 1.87 0.00 0.00 56.30 58.33 3ab4 h ASN 21 Cb 0.01 -0.12 -0.03 0.00 0.27 0.00 0.00 38.32 38.46 3ab4 h ASN 21 CO -0.05 0.47 0.32 0.58 -0.37 0.00 0.00 177.43 178.38 3ab4 h VAL 22 N 0.40 1.17 -0.56 2.57 2.07 0.48 -2.80 116.25 119.57 3ab4 h VAL 22 Ca 0.11 -0.39 0.11 0.00 0.82 0.00 0.00 66.70 67.36 3ab4 h VAL 22 Cb 0.15 0.45 -0.10 0.00 -1.52 0.00 0.00 31.29 30.27 3ab4 h VAL 22 CO -0.01 0.17 -0.04 0.00 0.02 0.00 0.00 177.57 177.71 3ab4 h ALA 23 N 1.15 0.49 -0.44 1.67 0.00 0.90 -0.63 119.26 122.40 3ab4 h ALA 23 Ca 0.19 0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.25 3ab4 h ALA 23 Cb 0.00 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3ab4 h ALA 23 CO -0.03 -0.41 0.11 1.49 0.00 0.00 0.00 179.25 180.41 3ab4 h GLU 24 N 0.08 0.66 -0.36 0.00 4.22 -0.89 -1.70 114.58 116.58 3ab4 h GLU 24 Ca 0.28 -0.12 -0.08 0.00 0.08 0.00 0.00 59.36 59.53 3ab4 h GLU 24 Cb 0.44 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 3ab4 h GLU 24 CO -0.50 0.60 -0.12 0.00 -2.18 0.00 0.00 179.01 176.81 3ab4 h ARG 25 N 0.64 0.63 -0.02 1.92 3.08 -0.90 0.20 114.38 119.93 3ab4 h ARG 25 Ca 0.15 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 3ab4 h ARG 25 Cb 0.24 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 3ab4 h ARG 25 CO -0.00 0.73 -0.01 0.82 -1.07 0.00 0.00 179.97 180.44 3ab4 h ILE 26 N 0.58 1.34 -0.71 2.04 2.04 -0.76 0.54 117.51 122.58 3ab4 h ILE 26 Ca 0.10 -1.02 -0.03 0.00 1.00 0.00 0.00 64.86 64.91 3ab4 h ILE 26 Cb 0.54 1.99 -0.03 0.00 -0.74 0.00 0.00 36.82 38.57 3ab4 h ILE 26 CO 0.03 0.27 0.34 0.58 0.00 0.00 0.00 178.15 179.38 3ab4 h VAL 27 N -0.37 1.23 -0.32 1.67 2.07 -1.25 -1.32 116.25 117.97 3ab4 h VAL 27 Ca 0.00 -0.65 0.01 0.00 0.82 0.00 0.00 66.70 66.88 3ab4 h VAL 27 Cb 0.45 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 3ab4 h VAL 27 CO 0.00 0.27 0.21 0.00 0.02 0.00 0.00 177.57 178.08 3ab4 h ALA 28 N 1.17 1.81 -0.27 1.67 0.00 -0.45 -1.42 119.26 121.77 3ab4 h ALA 28 Ca 0.24 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.96 3ab4 h ALA 28 Cb 0.11 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3ab4 h ALA 28 CO -0.03 0.17 -0.51 1.15 0.00 0.00 0.00 179.25 180.03 3ab4 h THR 29 N 0.40 1.29 -0.03 0.00 2.02 0.05 -3.16 112.91 113.49 3ab4 h THR 29 Ca 0.12 -1.71 -0.00 0.00 0.77 0.00 0.00 66.41 65.59 3ab4 h THR 29 Cb -0.00 1.62 -0.00 0.00 -1.74 0.00 0.00 68.15 68.03 3ab4 h THR 29 CO -0.03 0.55 0.01 0.50 0.37 0.00 0.00 175.52 176.93 3ab4 h LYS 30 N 0.60 0.04 0.00 6.66 1.63 -0.28 -3.20 116.57 122.03 3ab4 h LYS 30 Ca 0.02 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.79 3ab4 h LYS 30 Cb 1.09 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.71 3ab4 h LYS 30 CO 0.11 0.15 -0.11 1.57 -3.45 0.00 0.00 179.45 177.72 3ab4 h LYS 31 N -0.09 0.00 0.00 1.90 2.10 -1.32 0.35 116.57 119.52 3ab4 h LYS 31 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 3ab4 h LYS 31 Cb 0.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.46 3ab4 h LYS 31 CO -0.00 0.11 0.00 0.00 -2.00 0.00 0.00 179.45 177.56 3ab4 n ALA 32 N -2.24 1.84 -0.24 0.07 0.00 -1.19 -4.79 120.51 113.96 3ab4 n ALA 32 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3ab4 n ALA 32 Cb 0.26 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3ab4 n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ab4 n GLY 33 N -0.41 1.08 3.89 0.00 0.00 0.12 -4.88 105.19 105.00 3ab4 n GLY 33 Ca 0.07 -0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 3ab4 n GLY 33 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ab4 s ASN 34 N -2.19 6.33 0.09 1.61 -0.87 -0.70 -2.86 114.94 116.34 3ab4 s ASN 34 Ca 0.00 0.35 -0.26 0.00 -1.57 0.00 0.00 52.86 51.38 3ab4 s ASN 34 Cb 0.00 -1.99 -0.06 0.00 -0.02 0.00 0.00 41.25 39.18 3ab4 s ASN 34 CO 0.00 0.28 0.81 -1.81 -2.57 0.00 0.00 177.10 173.82 3ab4 s ASP 35 N -1.79 7.32 -0.04 -1.22 -0.00 0.84 -4.40 116.67 117.37 3ab4 s ASP 35 Ca 0.25 1.57 -0.01 0.00 -0.00 0.00 0.00 52.55 54.36 3ab4 s ASP 35 Cb -0.12 -2.50 0.03 0.00 -0.00 0.00 0.00 42.92 40.33 3ab4 s ASP 35 CO 0.16 0.04 0.07 0.54 -0.00 0.00 0.00 175.17 175.99 3ab4 s VAL 36 N -0.30 -0.10 -0.04 -1.27 0.11 -1.25 0.51 120.40 118.05 3ab4 s VAL 36 Ca 0.40 0.31 0.07 0.00 -2.93 0.00 0.00 61.98 59.83 3ab4 s VAL 36 Cb -0.22 -0.15 -0.01 0.00 -1.53 0.00 0.00 36.38 34.47 3ab4 s VAL 36 CO 0.25 0.13 -0.25 0.68 -3.33 0.00 0.00 175.10 172.58 3ab4 s VAL 37 N 1.66 2.04 0.05 2.04 -7.23 -0.76 -2.82 120.40 115.38 3ab4 s VAL 37 Ca -0.02 -1.08 0.08 0.00 -1.81 0.00 0.00 61.98 59.16 3ab4 s VAL 37 Cb -0.12 -1.71 -0.03 0.00 0.56 0.00 0.00 36.38 35.08 3ab4 s VAL 37 CO -0.04 0.57 -0.22 0.54 -0.31 0.00 0.00 175.10 175.64 3ab4 s VAL 38 N -0.35 2.46 -0.02 1.32 0.11 0.14 0.15 120.40 124.22 3ab4 s VAL 38 Ca 0.02 -1.34 0.02 0.00 -2.93 0.00 0.00 61.98 57.75 3ab4 s VAL 38 Cb -0.12 -2.02 0.01 0.00 -1.53 0.00 0.00 36.38 32.72 3ab4 s VAL 38 CO 0.02 0.32 -0.06 -0.69 -3.33 0.00 0.00 175.10 171.36 3ab4 s VAL 39 N -0.89 0.54 0.00 2.04 1.01 0.97 -1.14 120.40 122.93 3ab4 s VAL 39 Ca 0.13 -0.21 0.08 0.00 0.00 0.00 0.00 61.98 61.98 3ab4 s VAL 39 Cb -0.10 -0.51 -0.02 0.00 0.00 0.00 0.00 36.38 35.75 3ab4 s VAL 39 CO 0.04 0.19 -0.25 0.00 0.00 0.00 0.00 175.10 175.08 3ab4 s SER 41 N -0.81 4.98 0.59 0.00 0.01 -0.57 -4.83 113.70 113.07 3ab4 s SER 41 Ca 0.10 1.14 -0.18 0.00 1.31 0.00 0.00 55.95 58.32 3ab4 s SER 41 Cb -0.10 -1.88 -0.04 0.00 0.21 0.00 0.00 66.02 64.22 3ab4 s SER 41 CO 0.00 -1.64 1.16 0.00 0.41 0.00 0.00 173.24 173.17 3ab4 s ALA 42 N -3.32 2.58 0.32 1.44 0.00 -1.26 -4.73 121.76 116.79 3ab4 s ALA 42 Ca 0.60 0.88 -0.29 0.00 0.00 0.00 0.00 51.96 53.14 3ab4 s ALA 42 Cb -0.12 -3.40 -0.11 0.00 0.00 0.00 0.00 23.12 19.49 3ab4 s ALA 42 CO 0.52 -1.04 1.46 -1.64 0.00 0.00 0.00 175.76 175.06 3ab4 s MET 43 N -3.42 4.20 2.03 0.00 1.00 -1.26 -4.01 119.30 117.84 3ab4 s MET 43 Ca 0.74 2.44 0.00 0.00 0.00 0.00 0.00 55.69 58.87 3ab4 s MET 43 Cb -0.27 -3.03 0.00 0.00 0.00 0.00 0.00 34.83 31.53 3ab4 s MET 43 CO 0.32 -0.45 0.00 0.41 0.00 0.00 0.00 175.02 175.30 3ab4 n GLY 44 N 1.27 2.69 1.57 -0.03 0.00 0.59 -1.43 105.19 109.85 3ab4 n GLY 44 Ca 0.03 0.26 0.08 0.00 0.00 0.00 0.00 46.02 46.40 3ab4 n GLY 44 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ab4 n ASP 45 N 3.64 4.65 0.16 1.61 8.00 -1.26 -4.47 116.55 128.88 3ab4 n ASP 45 Ca 0.00 -2.54 0.03 0.00 0.71 0.00 0.00 54.79 52.99 3ab4 n ASP 45 Cb 0.00 -0.59 0.41 0.00 -0.02 0.00 0.00 41.12 40.92 3ab4 n ASP 45 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3ab4 h THR 46 N 3.68 1.19 -0.58 -3.53 1.35 -1.50 -1.57 112.91 111.95 3ab4 h THR 46 Ca 0.00 -0.88 -0.02 0.00 -0.55 0.00 0.00 66.41 64.96 3ab4 h THR 46 Cb 1.50 1.38 -0.03 0.00 -1.73 0.00 0.00 68.15 69.27 3ab4 h THR 46 CO 0.29 0.26 0.28 0.74 -0.25 0.00 0.00 175.52 176.84 3ab4 h THR 47 N 0.11 1.21 -0.19 6.82 2.02 -1.82 0.50 112.91 121.56 3ab4 h THR 47 Ca 0.02 -0.59 -0.10 0.00 0.77 0.00 0.00 66.41 66.51 3ab4 h THR 47 Cb 0.44 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 3ab4 h THR 47 CO 0.03 0.24 -0.33 0.44 0.37 0.00 0.00 175.52 176.27 3ab4 h ASP 48 N 0.79 0.39 -0.25 4.18 3.32 -1.75 -1.28 116.42 121.83 3ab4 h ASP 48 Ca 0.20 -0.15 -0.13 0.00 0.02 0.00 0.00 57.03 56.97 3ab4 h ASP 48 Cb 0.12 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 3ab4 h ASP 48 CO -0.03 0.70 -0.32 -0.33 -1.72 0.00 0.00 179.24 177.55 3ab4 h GLU 49 N 0.33 0.76 -0.30 3.56 5.08 -0.73 -1.69 114.58 121.59 3ab4 h GLU 49 Ca 0.04 -0.36 -0.18 0.00 -1.00 0.00 0.00 59.36 57.87 3ab4 h GLU 49 Cb 0.74 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 3ab4 h GLU 49 CO 0.06 0.98 -0.51 -0.07 -1.00 0.00 0.00 179.01 178.47 3ab4 h LEU 50 N 0.64 0.94 -0.67 1.33 4.07 -0.79 -0.02 115.31 120.81 3ab4 h LEU 50 Ca 0.07 -0.49 0.00 0.00 0.08 0.00 0.00 57.88 57.54 3ab4 h LEU 50 Cb 0.85 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 42.29 3ab4 h LEU 50 CO 0.07 1.28 0.43 -0.07 -1.08 0.00 0.00 178.44 179.07 3ab4 h LEU 51 N 0.67 0.79 -0.16 1.67 3.38 -1.10 0.22 115.31 120.78 3ab4 h LEU 51 Ca 0.03 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3ab4 h LEU 51 Cb 1.11 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 3ab4 h LEU 51 CO 0.11 0.59 0.01 -0.08 0.09 0.00 0.00 178.44 179.17 3ab4 h GLU 52 N 0.92 0.28 -0.26 1.13 4.81 -1.19 -1.74 114.58 118.52 3ab4 h GLU 52 Ca 0.24 -0.08 0.05 0.00 -0.13 0.00 0.00 59.36 59.44 3ab4 h GLU 52 Cb -0.07 -0.03 -0.08 0.00 0.63 0.00 0.00 28.75 29.20 3ab4 h GLU 52 CO -0.05 0.48 -0.45 -0.07 -0.73 0.00 0.00 179.01 178.20 3ab4 h LEU 53 N 0.04 -1.44 -0.31 1.64 4.07 -0.77 -1.43 115.31 117.11 3ab4 h LEU 53 Ca 0.05 0.20 0.07 0.00 0.08 0.00 0.00 57.88 58.27 3ab4 h LEU 53 Cb 0.35 0.60 -0.07 0.00 1.08 0.00 0.00 40.66 42.63 3ab4 h LEU 53 CO 0.01 -0.41 -0.12 0.00 -1.08 0.00 0.00 178.44 176.84 3ab4 h ALA 54 N 0.19 0.15 0.00 1.53 0.00 -0.41 0.44 119.26 121.16 3ab4 h ALA 54 Ca 0.10 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3ab4 h ALA 54 Cb 0.61 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 3ab4 h ALA 54 CO -0.49 -0.50 -0.11 0.00 0.00 0.00 0.00 179.25 178.15 3ab4 h ALA 55 N 1.22 1.40 0.00 0.00 0.00 -1.12 0.10 119.26 120.86 3ab4 h ALA 55 Ca 0.16 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3ab4 h ALA 55 Cb 0.30 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3ab4 h ALA 55 CO -0.35 0.14 -0.60 0.00 0.00 0.00 0.00 179.25 178.43 3ab4 h ALA 56 N 1.89 0.73 0.00 0.00 0.00 -0.08 -3.02 119.26 118.78 3ab4 h ALA 56 Ca -0.00 -0.18 -0.29 0.00 0.00 0.00 0.00 54.91 54.44 3ab4 h ALA 56 Cb 0.27 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 3ab4 h ALA 56 CO 0.01 0.22 -1.79 0.28 0.00 0.00 0.00 179.25 177.97 3ab4 n VAL 57 N -2.95 1.54 -3.34 0.00 0.31 0.01 -4.83 118.33 109.07 3ab4 n VAL 57 Ca 0.01 -0.80 -0.09 0.00 -0.01 0.00 0.00 64.34 63.45 3ab4 n VAL 57 Cb 0.61 -0.92 -0.08 0.00 -0.91 0.00 0.00 33.84 32.54 3ab4 n VAL 57 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3ab4 s ASN 58 N -5.97 0.20 0.74 4.52 3.04 0.28 -5.10 114.94 112.65 3ab4 s ASN 58 Ca -0.05 0.21 -0.15 0.00 0.04 0.00 0.00 52.86 52.91 3ab4 s ASN 58 Cb 0.08 1.15 0.04 0.00 -1.54 0.00 0.00 41.25 40.98 3ab4 s ASN 58 CO 0.83 -0.30 1.24 -2.16 -3.04 0.00 0.00 177.10 173.67 3ab4 s PRO 59 N 2.55 2.03 -0.86 0.43 0.04 -1.14 -2.62 135.00 135.43 3ab4 s PRO 59 Ca 0.13 1.89 -0.04 0.00 0.04 0.00 0.00 61.00 63.01 3ab4 s PRO 59 Cb -0.15 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.58 3ab4 s PRO 59 CO -0.17 -1.95 0.66 0.28 0.04 0.00 0.00 177.00 175.86 3ab4 n VAL 60 N -2.70 -5.56 -1.87 -0.36 0.31 -1.26 -4.90 118.33 101.99 3ab4 n VAL 60 Ca 0.14 -0.22 -0.42 0.00 -0.01 0.00 0.00 64.34 63.84 3ab4 n VAL 60 Cb 0.49 -4.21 -0.03 0.00 -0.91 0.00 0.00 33.84 29.18 3ab4 n VAL 60 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 3ab4 s PRO 61 N -4.63 4.19 0.42 5.55 0.02 -1.08 -4.97 135.00 134.49 3ab4 s PRO 61 Ca 0.08 2.44 -0.26 0.00 0.02 0.00 0.00 61.00 63.28 3ab4 s PRO 61 Cb -0.03 -3.13 -0.08 0.00 0.02 0.00 0.00 34.50 31.28 3ab4 s PRO 61 CO 0.85 -0.64 1.32 -2.14 -0.33 0.00 0.00 177.00 176.07 3ab4 s PRO 62 N 1.05 3.89 0.26 5.54 0.02 -1.26 -4.87 135.00 139.63 3ab4 s PRO 62 Ca 0.71 2.20 -0.05 0.00 0.02 0.00 0.00 61.00 63.88 3ab4 s PRO 62 Cb -0.46 -2.72 0.32 0.00 0.02 0.00 0.00 34.50 31.66 3ab4 s PRO 62 CO 0.32 -0.57 1.93 0.00 -0.33 0.00 0.00 177.00 178.35 3ab4 h ALA 63 N 2.57 1.32 -0.17 -1.55 0.00 -1.99 -1.96 119.26 117.49 3ab4 h ALA 63 Ca -0.50 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.40 3ab4 h ALA 63 Cb 1.25 -0.38 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 3ab4 h ALA 63 CO 0.62 0.61 -0.13 -0.09 0.00 0.00 0.00 179.25 180.27 3ab4 h ARG 64 N 1.29 -0.13 0.05 0.00 2.43 -2.00 -1.21 114.38 114.81 3ab4 h ARG 64 Ca 0.37 0.01 -0.23 0.00 -0.81 0.00 0.00 59.98 59.31 3ab4 h ARG 64 Cb -0.11 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 3ab4 h ARG 64 CO -0.09 -0.09 -1.05 1.05 -1.51 0.00 0.00 179.97 178.28 3ab4 h GLU 65 N -0.14 0.20 -0.93 0.20 9.09 -1.88 -2.70 114.58 118.42 3ab4 h GLU 65 Ca 0.10 -0.28 0.05 0.00 0.05 0.00 0.00 59.36 59.28 3ab4 h GLU 65 Cb 0.29 0.10 -0.06 0.00 -1.65 0.00 0.00 28.75 27.43 3ab4 h GLU 65 CO -0.25 1.08 0.61 0.52 0.05 0.00 0.00 179.01 181.01 3ab4 h MET 66 N 0.08 1.07 0.06 1.06 2.86 -1.18 0.48 114.93 119.36 3ab4 h MET 66 Ca -0.07 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 3ab4 h MET 66 Cb 1.74 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 33.15 3ab4 h MET 66 CO 0.16 0.71 -0.07 0.22 1.06 0.00 0.00 176.91 178.99 3ab4 h ASP 67 N 1.11 -0.18 -0.17 1.22 3.58 -1.11 -1.34 116.42 119.53 3ab4 h ASP 67 Ca 0.39 0.02 0.05 0.00 0.42 0.00 0.00 57.03 57.91 3ab4 h ASP 67 Cb 0.13 0.07 -0.06 0.00 1.72 0.00 0.00 39.33 41.18 3ab4 h ASP 67 CO -0.14 -0.11 -0.27 0.24 -2.88 0.00 0.00 179.24 176.09 3ab4 h MET 68 N -0.15 -0.31 0.15 0.28 2.86 -0.85 -0.61 114.93 116.31 3ab4 h MET 68 Ca 0.01 0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.68 3ab4 h MET 68 Cb 0.15 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.85 3ab4 h MET 68 CO -0.03 -0.20 -0.42 1.25 1.06 0.00 0.00 176.91 178.57 3ab4 h LEU 69 N -0.32 -1.24 -0.71 1.22 5.85 -0.02 0.31 115.31 120.40 3ab4 h LEU 69 Ca 0.11 0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.89 3ab4 h LEU 69 Cb 0.49 0.45 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 3ab4 h LEU 69 CO -0.35 -0.46 0.19 -0.07 -0.34 0.00 0.00 178.44 177.41 3ab4 h LEU 70 N -0.64 1.07 -0.28 2.25 3.38 -1.16 -2.50 115.31 117.44 3ab4 h LEU 70 Ca -0.01 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 57.78 3ab4 h LEU 70 Cb 0.62 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 3ab4 h LEU 70 CO -0.20 1.01 0.01 0.74 0.09 0.00 0.00 178.44 180.09 3ab4 h THR 71 N 1.07 0.81 -0.42 0.22 2.02 -0.93 -2.00 112.91 113.67 3ab4 h THR 71 Ca 0.23 -0.03 0.06 0.00 0.77 0.00 0.00 66.41 67.44 3ab4 h THR 71 Cb 0.35 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 3ab4 h THR 71 CO -0.00 0.02 0.29 0.00 0.37 0.00 0.00 175.52 176.19 3ab4 h ALA 72 N 1.23 2.01 -0.24 6.16 0.00 -0.56 0.19 119.26 128.05 3ab4 h ALA 72 Ca 0.13 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 3ab4 h ALA 72 Cb 0.17 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3ab4 h ALA 72 CO -0.22 -0.09 -0.46 0.78 0.00 0.00 0.00 179.25 179.27 3ab4 h GLY 73 N 0.30 0.80 1.21 0.00 0.00 -1.00 -3.04 103.07 101.35 3ab4 h GLY 73 Ca 0.19 -0.94 -0.07 0.00 0.00 0.00 0.00 47.33 46.51 3ab4 h GLY 73 CO -0.04 0.84 0.10 0.83 0.00 0.00 0.00 176.54 178.28 3ab4 h GLU 74 N 0.46 0.97 0.00 4.80 5.08 -0.64 -3.11 114.58 122.14 3ab4 h GLU 74 Ca 0.01 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.11 3ab4 h GLU 74 Cb 1.06 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.18 3ab4 h GLU 74 CO 0.10 0.89 -0.12 -0.09 -1.00 0.00 0.00 179.01 178.80 3ab4 h ARG 75 N 0.92 0.00 -0.23 2.33 9.65 -0.61 -0.75 114.38 125.69 3ab4 h ARG 75 Ca 0.19 0.00 -0.17 0.00 -1.10 0.00 0.00 59.98 58.89 3ab4 h ARG 75 Cb 0.39 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.97 3ab4 h ARG 75 CO 0.01 0.12 -0.55 -0.84 2.80 0.00 0.00 179.97 181.50 3ab4 h ILE 76 N 0.00 1.30 0.37 1.20 3.07 -1.46 -0.70 117.51 121.29 3ab4 h ILE 76 Ca -0.00 -1.78 -0.02 0.00 1.55 0.00 0.00 64.86 64.62 3ab4 h ILE 76 Cb 0.21 1.72 0.00 0.00 -0.27 0.00 0.00 36.82 38.48 3ab4 h ILE 76 CO 0.02 0.56 -0.18 0.28 -1.05 0.00 0.00 178.15 177.78 3ab4 h SER 77 N 0.53 -0.42 -0.85 2.16 0.02 -1.46 -1.38 113.55 112.16 3ab4 h SER 77 Ca 0.01 -0.00 0.21 0.00 -0.84 0.00 0.00 61.79 61.17 3ab4 h SER 77 Cb 1.13 0.11 -0.15 0.00 0.14 0.00 0.00 62.40 63.63 3ab4 h SER 77 CO 0.11 -0.27 0.04 0.78 -1.14 0.00 0.00 176.83 176.35 3ab4 h ASN 78 N -0.52 -0.35 -0.35 3.07 4.21 -1.11 0.10 115.58 120.62 3ab4 h ASN 78 Ca -0.05 0.22 -0.13 0.00 1.21 0.00 0.00 56.30 57.55 3ab4 h ASN 78 Cb 0.40 0.38 -0.01 0.00 -1.12 0.00 0.00 38.32 37.97 3ab4 h ASN 78 CO 0.08 -0.23 -0.30 0.00 -1.29 0.00 0.00 177.43 175.69 3ab4 h ALA 79 N 1.81 0.51 -0.42 -0.83 0.00 -0.81 -1.64 119.26 117.89 3ab4 h ALA 79 Ca 0.49 -0.41 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 3ab4 h ALA 79 Cb 0.93 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3ab4 h ALA 79 CO -0.75 0.55 -0.17 -0.07 0.00 0.00 0.00 179.25 178.81 3ab4 h LEU 80 N 0.62 0.87 -0.42 0.00 3.38 -0.54 -2.18 115.31 117.05 3ab4 h LEU 80 Ca 0.06 -0.39 -0.05 0.00 0.09 0.00 0.00 57.88 57.59 3ab4 h LEU 80 Cb 0.88 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 3ab4 h LEU 80 CO 0.08 1.07 0.05 0.58 0.09 0.00 0.00 178.44 180.31 3ab4 h VAL 81 N 0.67 1.25 -0.38 1.22 2.07 -0.78 -0.88 116.25 119.42 3ab4 h VAL 81 Ca 0.10 -0.91 0.08 0.00 0.82 0.00 0.00 66.70 66.79 3ab4 h VAL 81 Cb 0.72 1.03 -0.09 0.00 -1.52 0.00 0.00 31.29 31.43 3ab4 h VAL 81 CO 0.05 0.31 -0.26 0.00 0.02 0.00 0.00 177.57 177.70 3ab4 h ALA 82 N 0.92 -0.05 -0.58 1.67 0.00 -1.33 0.37 119.26 120.27 3ab4 h ALA 82 Ca 0.13 0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.21 3ab4 h ALA 82 Cb 0.40 0.58 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 3ab4 h ALA 82 CO 0.01 -0.65 0.30 0.52 0.00 0.00 0.00 179.25 179.43 3ab4 h MET 83 N -0.20 0.54 -0.33 0.00 2.07 -0.96 -0.36 114.93 115.69 3ab4 h MET 83 Ca 0.18 -0.03 -0.02 0.00 -2.07 0.00 0.00 59.70 57.76 3ab4 h MET 83 Cb 0.49 -0.12 -0.01 0.00 -1.87 0.00 0.00 31.60 30.08 3ab4 h MET 83 CO -0.50 0.36 0.14 0.00 1.07 0.00 0.00 176.91 177.99 3ab4 h ALA 84 N 1.32 0.43 -0.90 6.32 0.00 -0.68 -2.36 119.26 123.38 3ab4 h ALA 84 Ca 0.26 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.08 3ab4 h ALA 84 Cb 0.18 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 3ab4 h ALA 84 CO -0.18 0.01 0.59 0.82 0.00 0.00 0.00 179.25 180.49 3ab4 h ILE 85 N 0.39 1.18 -0.11 0.00 2.04 0.50 -2.19 117.51 119.32 3ab4 h ILE 85 Ca 0.11 -0.40 -0.11 0.00 1.00 0.00 0.00 64.86 65.46 3ab4 h ILE 85 Cb 0.16 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.14 3ab4 h ILE 85 CO -0.01 0.21 -0.42 -0.33 0.00 0.00 0.00 178.15 177.60 3ab4 h GLU 86 N 1.16 0.25 0.00 2.37 5.08 -0.90 -2.08 114.58 120.46 3ab4 h GLU 86 Ca 0.35 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.56 3ab4 h GLU 86 Cb -0.05 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 3ab4 h GLU 86 CO -0.10 0.63 -0.12 0.66 -1.00 0.00 0.00 179.01 179.08 3ab4 h SER 87 N 0.21 0.00 -0.46 1.42 4.64 -0.86 -0.82 113.55 117.69 3ab4 h SER 87 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3ab4 h SER 87 Cb 0.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 3ab4 h SER 87 CO 0.07 0.12 0.00 0.18 -0.87 0.00 0.00 176.83 176.33 3ab4 n LEU 88 N -3.61 2.59 0.00 5.97 4.77 -0.81 -4.93 117.00 120.97 3ab4 n LEU 88 Ca -0.02 -1.30 0.00 0.00 -0.03 0.00 0.00 56.01 54.67 3ab4 n LEU 88 Cb 0.25 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 3ab4 n LEU 88 CO 0.30 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 177.58 3ab4 n GLY 89 N 1.17 0.74 3.87 -0.72 0.00 -0.31 -5.05 105.19 104.89 3ab4 n GLY 89 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 3ab4 n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ab4 s ALA 90 N -2.23 3.81 0.04 4.61 0.00 -1.02 -5.01 121.76 121.97 3ab4 s ALA 90 Ca 0.00 -0.49 -0.30 0.00 0.00 0.00 0.00 51.96 51.17 3ab4 s ALA 90 Cb 0.00 -2.13 -0.04 0.00 0.00 0.00 0.00 23.12 20.95 3ab4 s ALA 90 CO 0.00 0.60 0.98 -1.21 0.00 0.00 0.00 175.76 176.12 3ab4 s GLU 91 N -1.42 4.61 -0.06 0.00 2.02 -1.26 -3.52 118.70 119.07 3ab4 s GLU 91 Ca 0.24 1.44 0.06 0.00 0.02 0.00 0.00 54.97 56.72 3ab4 s GLU 91 Cb -0.14 -3.43 -0.01 0.00 0.10 0.00 0.00 34.13 30.65 3ab4 s GLU 91 CO 0.12 0.05 -0.23 0.00 0.02 0.00 0.00 175.26 175.22 3ab4 s ALA 92 N 0.63 2.24 -0.06 5.21 0.00 -1.26 -0.59 121.76 127.93 3ab4 s ALA 92 Ca 0.50 -1.04 0.04 0.00 0.00 0.00 0.00 51.96 51.47 3ab4 s ALA 92 Cb -0.22 -0.73 -0.00 0.00 0.00 0.00 0.00 23.12 22.17 3ab4 s ALA 92 CO 0.29 0.43 -0.19 -1.14 0.00 0.00 0.00 175.76 175.14 3ab4 s GLN 93 N -0.21 2.10 0.01 0.00 0.74 -0.70 -4.94 119.66 116.65 3ab4 s GLN 93 Ca -0.02 -0.69 -0.05 0.00 0.05 0.00 0.00 55.36 54.66 3ab4 s GLN 93 Cb -0.13 -1.76 -0.04 0.00 1.10 0.00 0.00 33.01 32.17 3ab4 s GLN 93 CO 0.03 0.25 0.24 -1.12 -0.55 0.00 0.00 175.29 174.14 3ab4 s SER 94 N 0.09 6.44 -0.04 6.67 0.01 -1.26 -0.96 113.70 124.65 3ab4 s SER 94 Ca -0.07 0.47 0.02 0.00 1.31 0.00 0.00 55.95 57.69 3ab4 s SER 94 Cb -0.13 -2.05 0.01 0.00 0.21 0.00 0.00 66.02 64.06 3ab4 s SER 94 CO 0.03 0.25 -0.09 -0.36 0.41 0.00 0.00 173.24 173.48 3ab4 s PHE 95 N -1.33 1.09 -0.19 2.43 0.08 0.13 -4.94 117.98 115.25 3ab4 s PHE 95 Ca 0.28 -0.34 0.01 0.00 0.12 0.00 0.00 56.93 57.00 3ab4 s PHE 95 Cb -0.13 -0.82 0.04 0.00 -0.57 0.00 0.00 43.02 41.54 3ab4 s PHE 95 CO 0.18 -0.19 -0.11 -0.08 -0.10 0.00 0.00 175.22 174.92 3ab4 s THR 96 N 0.55 1.65 0.00 0.64 -1.32 -1.26 -2.43 115.64 113.48 3ab4 s THR 96 Ca -0.10 -0.96 0.00 0.00 -1.21 0.00 0.00 61.69 59.42 3ab4 s THR 96 Cb -0.13 -1.70 0.00 0.00 -1.51 0.00 0.00 72.50 69.16 3ab4 s THR 96 CO 0.02 0.22 0.00 0.61 -2.21 0.00 0.00 174.62 173.26 3ab4 n GLY 97 N 4.69 4.34 0.00 6.08 0.00 -1.22 -5.06 105.19 114.01 3ab4 n GLY 97 Ca -0.15 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.84 3ab4 n GLY 97 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ab4 n ASP 115 N 0.00 0.00 -1.33 1.61 4.64 -1.26 -4.71 116.55 115.50 3ab4 n ASP 115 Ca 0.00 0.00 0.06 0.00 -1.38 0.00 0.00 54.79 53.47 3ab4 n ASP 115 Cb 0.00 0.00 0.27 0.00 -1.04 0.00 0.00 41.12 40.35 3ab4 n ASP 115 CO 0.00 0.00 0.00 0.52 -0.82 0.00 0.00 177.20 176.90 3ab4 n VAL 116 N 0.00 1.60 -0.15 5.18 0.31 -1.26 -4.38 118.33 119.63 3ab4 n VAL 116 Ca 0.00 -0.89 -0.03 0.00 -0.01 0.00 0.00 64.34 63.41 3ab4 n VAL 116 Cb 0.00 -0.18 0.05 0.00 -0.91 0.00 0.00 33.84 32.80 3ab4 n VAL 116 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3ab4 h THR 117 N 2.81 0.59 -0.99 2.52 2.02 -1.99 0.87 112.91 118.74 3ab4 h THR 117 Ca 0.00 -0.03 0.06 0.00 0.77 0.00 0.00 66.41 67.22 3ab4 h THR 117 Cb 1.32 0.51 -0.07 0.00 -1.74 0.00 0.00 68.15 68.17 3ab4 h THR 117 CO 0.26 0.01 0.64 -0.65 0.37 0.00 0.00 175.52 176.15 3ab4 h PRO 118 N 0.08 1.13 -0.14 6.66 0.11 -1.98 0.23 132.00 138.09 3ab4 h PRO 118 Ca 0.24 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 66.24 3ab4 h PRO 118 Cb 0.36 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 31.21 3ab4 h PRO 118 CO -0.43 0.75 -0.06 0.78 -0.21 0.00 0.00 178.00 178.83 3ab4 h GLY 119 N 1.17 0.31 0.94 -0.55 0.00 -1.69 -2.03 103.07 101.22 3ab4 h GLY 119 Ca 0.43 -0.28 0.06 0.00 0.00 0.00 0.00 47.33 47.54 3ab4 h GLY 119 CO -0.17 0.25 0.56 3.21 0.00 0.00 0.00 176.54 180.40 3ab4 h ARG 120 N -0.04 0.96 0.00 4.80 3.08 -0.35 -2.41 114.38 120.42 3ab4 h ARG 120 Ca 0.03 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 3ab4 h ARG 120 Cb 0.52 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 3ab4 h ARG 120 CO 0.02 0.64 -0.12 -0.24 -1.07 0.00 0.00 179.97 179.20 3ab4 h VAL 121 N 0.99 0.23 -0.27 2.04 3.04 -0.43 -2.70 116.25 119.15 3ab4 h VAL 121 Ca 0.36 -1.08 -0.16 0.00 -1.01 0.00 0.00 66.70 64.81 3ab4 h VAL 121 Cb 0.16 1.90 -0.00 0.00 -2.01 0.00 0.00 31.29 31.34 3ab4 h VAL 121 CO -0.13 0.12 -0.47 0.03 -1.01 0.00 0.00 177.57 176.11 3ab4 h ARG 122 N 0.00 0.80 0.39 4.17 2.47 -0.86 -0.62 114.38 120.73 3ab4 h ARG 122 Ca -0.00 -0.50 -0.02 0.00 -1.26 0.00 0.00 59.98 58.20 3ab4 h ARG 122 Cb 0.89 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.27 3ab4 h ARG 122 CO 0.02 1.13 -0.19 0.93 0.56 0.00 0.00 179.97 182.42 3ab4 h GLU 123 N 0.56 -0.50 -0.24 0.04 3.07 -1.43 -0.60 114.58 115.48 3ab4 h GLU 123 Ca 0.02 0.03 0.06 0.00 -0.50 0.00 0.00 59.36 58.97 3ab4 h GLU 123 Cb 1.08 0.11 -0.06 0.00 -0.84 0.00 0.00 28.75 29.04 3ab4 h GLU 123 CO 0.11 -0.30 -0.13 0.00 -1.40 0.00 0.00 179.01 177.28 3ab4 h ALA 124 N 0.02 0.06 -0.04 3.43 0.00 -1.55 -1.25 119.26 119.93 3ab4 h ALA 124 Ca -0.05 0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3ab4 h ALA 124 Cb 0.43 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 3ab4 h ALA 124 CO 0.09 -0.55 -0.20 1.25 0.00 0.00 0.00 179.25 179.85 3ab4 h LEU 125 N -0.11 -0.59 -0.05 0.00 5.85 -0.85 -1.15 115.31 118.41 3ab4 h LEU 125 Ca 0.13 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.94 3ab4 h LEU 125 Cb 0.31 0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.59 3ab4 h LEU 125 CO -0.31 -0.26 -0.05 -0.90 -0.34 0.00 0.00 178.44 176.58 3ab4 n ASP 126 N -5.33 0.14 0.00 1.25 5.68 -0.25 -1.05 116.55 116.98 3ab4 n ASP 126 Ca -0.04 -0.12 0.11 0.00 -0.50 0.00 0.00 54.79 54.24 3ab4 n ASP 126 Cb 0.24 -0.25 0.55 0.00 -1.14 0.00 0.00 41.12 40.53 3ab4 n ASP 126 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 3ab4 n GLU 127 N -1.26 0.24 -0.35 0.11 2.13 -0.48 -4.92 120.64 116.11 3ab4 n GLU 127 Ca 0.12 0.08 0.00 0.00 0.66 0.00 0.00 57.16 58.03 3ab4 n GLU 127 Cb 0.27 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.48 3ab4 n GLU 127 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ab4 n GLY 128 N 0.68 0.79 3.81 8.31 0.00 -0.22 -5.06 105.19 113.51 3ab4 n GLY 128 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 3ab4 n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ab4 s LYS 129 N -0.65 4.19 -0.18 1.61 -0.14 -0.70 -4.67 119.74 119.20 3ab4 s LYS 129 Ca 0.00 1.17 -0.17 0.00 -1.36 0.00 0.00 55.97 55.60 3ab4 s LYS 129 Cb 0.00 -2.20 -0.04 0.00 -1.68 0.00 0.00 37.83 33.92 3ab4 s LYS 129 CO 0.00 -0.07 0.47 0.42 -0.76 0.00 0.00 175.35 175.40 3ab4 s ILE 130 N -2.12 5.16 -0.29 2.17 1.01 0.24 -4.34 121.20 123.02 3ab4 s ILE 130 Ca 0.62 0.86 -0.09 0.00 0.00 0.00 0.00 60.65 62.04 3ab4 s ILE 130 Cb -0.11 -3.79 -0.02 0.00 0.01 0.00 0.00 42.46 38.55 3ab4 s ILE 130 CO 0.15 0.24 0.14 0.00 0.00 0.00 0.00 174.94 175.46 3ab4 s ILE 132 N 1.63 4.80 -0.01 0.00 1.01 -0.14 0.27 121.20 128.76 3ab4 s ILE 132 Ca 0.05 -0.01 0.03 0.00 0.00 0.00 0.00 60.65 60.72 3ab4 s ILE 132 Cb -0.17 -3.23 -0.01 0.00 0.01 0.00 0.00 42.46 39.06 3ab4 s ILE 132 CO 0.06 0.35 -0.10 0.54 0.00 0.00 0.00 174.94 175.79 3ab4 s VAL 133 N 1.28 0.78 0.01 2.92 0.11 -0.29 -0.70 120.40 124.51 3ab4 s VAL 133 Ca 0.06 -0.44 0.06 0.00 -2.93 0.00 0.00 61.98 58.72 3ab4 s VAL 133 Cb -0.14 -0.65 -0.02 0.00 -1.53 0.00 0.00 36.38 34.03 3ab4 s VAL 133 CO 0.05 0.20 -0.17 0.00 -3.33 0.00 0.00 175.10 171.85 3ab4 s ALA 134 N -0.27 1.42 0.00 1.54 0.00 -1.02 -4.33 121.76 119.11 3ab4 s ALA 134 Ca 0.03 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.19 3ab4 s ALA 134 Cb -0.04 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.76 3ab4 s ALA 134 CO -0.00 0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.50 3ab4 n GLY 135 N 2.36 1.09 3.43 0.00 0.00 -1.26 -3.43 105.19 107.38 3ab4 n GLY 135 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 3ab4 n GLY 135 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ab4 s PHE 136 N -3.22 -0.14 0.22 1.61 0.08 -1.26 -4.82 117.98 110.45 3ab4 s PHE 136 Ca 0.00 0.55 0.00 0.00 0.12 0.00 0.00 56.93 57.60 3ab4 s PHE 136 Cb 0.00 -3.14 0.00 0.00 -0.57 0.00 0.00 43.02 39.31 3ab4 s PHE 136 CO 0.00 -4.52 0.00 1.33 -0.10 0.00 0.00 175.22 171.93 3ab4 n VAL 146 N -5.27 -1.32 -5.08 -0.44 0.24 -1.26 -4.52 118.33 100.68 3ab4 n VAL 146 Ca 0.13 0.61 -0.32 0.00 -2.04 0.00 0.00 64.34 62.71 3ab4 n VAL 146 Cb 0.60 -0.98 -0.16 0.00 -1.47 0.00 0.00 33.84 31.83 3ab4 n VAL 146 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3ab4 s THR 147 N -4.28 2.39 -0.10 3.34 2.01 -1.26 -5.13 115.64 112.61 3ab4 s THR 147 Ca 0.00 -0.91 -0.02 0.00 0.31 0.00 0.00 61.69 61.08 3ab4 s THR 147 Cb 0.00 -1.94 -0.03 0.00 0.01 0.00 0.00 72.50 70.54 3ab4 s THR 147 CO 0.00 0.55 -0.03 0.42 -0.69 0.00 0.00 174.62 174.87 3ab4 s THR 148 N 0.25 4.03 -0.08 -0.82 -4.23 -1.26 -5.11 115.64 108.42 3ab4 s THR 148 Ca -0.14 -0.34 0.04 0.00 -1.18 0.00 0.00 61.69 60.07 3ab4 s THR 148 Cb -0.17 -2.70 0.00 0.00 1.34 0.00 0.00 72.50 70.97 3ab4 s THR 148 CO 0.07 0.57 -0.19 -0.76 -0.54 0.00 0.00 174.62 173.77 3ab4 s LEU 149 N -0.47 1.91 0.00 4.79 1.43 -1.26 -5.07 118.68 120.02 3ab4 s LEU 149 Ca 0.08 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 3ab4 s LEU 149 Cb -0.12 -1.15 0.00 0.00 0.03 0.00 0.00 46.19 44.95 3ab4 s LEU 149 CO 0.02 0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.33 3ab4 n GLY 150 N 3.55 -2.28 3.87 -3.19 0.00 -1.26 -4.95 105.19 100.93 3ab4 n GLY 150 Ca -0.20 -1.58 -0.36 0.00 0.00 0.00 0.00 46.02 43.88 3ab4 n GLY 150 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ab4 s ARG 151 N -0.41 3.40 -0.02 1.61 3.52 -1.26 -5.07 118.95 120.72 3ab4 s ARG 151 Ca 0.00 -0.22 -0.30 0.00 -0.13 0.00 0.00 55.73 55.08 3ab4 s ARG 151 Cb 0.00 -3.13 -0.05 0.00 -1.56 0.00 0.00 34.95 30.22 3ab4 s ARG 151 CO 0.00 0.74 1.32 0.20 -0.81 0.00 0.00 175.30 176.75 3ab4 s GLY 152 N -1.33 1.95 0.00 8.12 0.00 -1.26 -5.04 107.32 109.75 3ab4 s GLY 152 Ca 0.19 0.78 0.00 0.00 0.00 0.00 0.00 44.72 45.69 3ab4 s GLY 152 CO 0.09 2.40 0.00 0.61 0.00 0.00 0.00 173.10 176.20 3ab4 n GLY 153 N 3.54 -0.63 0.19 0.20 0.00 -1.26 -4.86 105.19 102.37 3ab4 n GLY 153 Ca 0.12 -1.73 -0.11 0.00 0.00 0.00 0.00 46.02 44.30 3ab4 n GLY 153 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3ab4 h SER 154 N 0.00 0.60 -0.75 1.61 4.64 -1.96 -2.17 113.55 115.51 3ab4 h SER 154 Ca 0.00 -0.36 0.10 0.00 -0.47 0.00 0.00 61.79 61.06 3ab4 h SER 154 Cb 0.00 -0.16 -0.07 0.00 -0.31 0.00 0.00 62.40 61.85 3ab4 h SER 154 CO 0.00 0.82 0.39 0.44 -0.87 0.00 0.00 176.83 177.61 3ab4 h ASP 155 N 0.36 0.52 -0.37 4.97 3.32 -1.95 0.61 116.42 123.89 3ab4 h ASP 155 Ca 0.08 0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.11 3ab4 h ASP 155 Cb 0.55 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 3ab4 h ASP 155 CO 0.03 0.29 -0.08 0.74 -1.72 0.00 0.00 179.24 178.50 3ab4 h THR 156 N 0.65 1.27 -0.43 0.35 2.02 -1.90 -1.83 112.91 113.05 3ab4 h THR 156 Ca 0.37 -1.14 -0.05 0.00 0.77 0.00 0.00 66.41 66.36 3ab4 h THR 156 Cb 0.40 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 3ab4 h THR 156 CO -0.27 0.38 0.05 0.00 0.37 0.00 0.00 175.52 176.05 3ab4 h THR 157 N 0.50 1.21 -0.04 3.16 1.03 -0.69 0.32 112.91 118.40 3ab4 h THR 157 Ca 0.09 -0.81 -0.00 0.00 -0.01 0.00 0.00 66.41 65.69 3ab4 h THR 157 Cb 0.58 0.83 -0.00 0.00 -1.07 0.00 0.00 68.15 68.49 3ab4 h THR 157 CO 0.03 0.29 0.03 0.00 -0.01 0.00 0.00 175.52 175.86 3ab4 h ALA 158 N 1.42 0.06 -0.44 0.00 0.00 -0.76 -1.40 119.26 118.13 3ab4 h ALA 158 Ca 0.14 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 3ab4 h ALA 158 Cb 0.32 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3ab4 h ALA 158 CO 0.01 -0.42 -0.19 0.28 0.00 0.00 0.00 179.25 178.93 3ab4 h VAL 159 N 0.01 1.27 0.51 0.00 2.07 -0.82 -1.51 116.25 117.78 3ab4 h VAL 159 Ca 0.02 -1.32 -0.02 0.00 0.82 0.00 0.00 66.70 66.19 3ab4 h VAL 159 Cb 0.06 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3ab4 h VAL 159 CO -0.00 0.45 -0.24 0.00 0.02 0.00 0.00 177.57 177.79 3ab4 h ALA 160 N 1.01 -0.68 -0.88 1.67 0.00 -0.31 0.91 119.26 120.98 3ab4 h ALA 160 Ca 0.11 -0.15 0.15 0.00 0.00 0.00 0.00 54.91 55.01 3ab4 h ALA 160 Cb 0.73 0.26 -0.09 0.00 0.00 0.00 0.00 17.79 18.69 3ab4 h ALA 160 CO 0.06 -0.88 0.47 -0.07 0.00 0.00 0.00 179.25 178.83 3ab4 h LEU 161 N -0.70 0.60 -0.63 0.00 3.38 -1.22 0.22 115.31 116.96 3ab4 h LEU 161 Ca -0.07 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 3ab4 h LEU 161 Cb 0.53 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 3ab4 h LEU 161 CO 0.11 0.26 0.22 0.00 0.09 0.00 0.00 178.44 179.13 3ab4 h ALA 162 N 1.56 0.82 0.18 1.53 0.00 -0.82 0.53 119.26 123.05 3ab4 h ALA 162 Ca 0.47 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3ab4 h ALA 162 Cb 0.65 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3ab4 h ALA 162 CO -0.35 0.46 -0.08 0.00 0.00 0.00 0.00 179.25 179.27 3ab4 h ALA 163 N 1.08 -0.24 -0.98 0.00 0.00 0.15 -0.97 119.26 118.31 3ab4 h ALA 163 Ca 0.21 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.13 3ab4 h ALA 163 Cb 0.25 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 3ab4 h ALA 163 CO -0.01 -0.61 0.62 0.00 0.00 0.00 0.00 179.25 179.25 3ab4 h ALA 164 N 0.54 1.39 -0.02 0.00 0.00 -0.32 -2.85 119.26 118.00 3ab4 h ALA 164 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3ab4 h ALA 164 Cb 0.22 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3ab4 h ALA 164 CO 0.04 0.35 -0.01 1.28 0.00 0.00 0.00 179.25 180.90 3ab4 n LEU 165 N -4.56 2.07 -3.56 0.00 7.99 0.15 -4.94 117.00 114.15 3ab4 n LEU 165 Ca 0.16 -0.69 -0.19 0.00 -0.01 0.00 0.00 56.01 55.28 3ab4 n LEU 165 Cb 0.24 -0.00 0.06 0.00 -0.11 0.00 0.00 43.42 43.61 3ab4 n LEU 165 CO 0.30 0.35 0.03 0.59 -1.51 0.00 0.00 177.39 177.15 3ab4 n ASN 166 N 0.61 -1.71 -4.65 -1.43 3.02 -1.04 -4.97 115.26 105.09 3ab4 n ASN 166 Ca 0.17 -0.71 -0.30 0.00 -0.03 0.00 0.00 54.58 53.70 3ab4 n ASN 166 Cb 0.45 -4.62 0.17 0.00 -0.61 0.00 0.00 39.78 35.17 3ab4 n ASN 166 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ab4 s ALA 167 N -3.50 1.18 -0.12 5.41 0.00 -0.40 -4.92 121.76 119.42 3ab4 s ALA 167 Ca 0.02 0.31 0.12 0.00 0.00 0.00 0.00 51.96 52.40 3ab4 s ALA 167 Cb -0.01 -3.35 -0.24 0.00 0.00 0.00 0.00 23.12 19.53 3ab4 s ALA 167 CO 0.77 -2.80 0.37 -0.25 0.00 0.00 0.00 175.76 173.86 3ab4 n ASP 168 N -4.23 0.80 -3.97 0.00 8.00 -0.41 -4.91 116.55 111.83 3ab4 n ASP 168 Ca 0.09 0.22 -0.10 0.00 0.71 0.00 0.00 54.79 55.71 3ab4 n ASP 168 Cb 0.53 0.18 -0.06 0.00 -0.02 0.00 0.00 41.12 41.75 3ab4 n ASP 168 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3ab4 s VAL 169 N -2.55 0.02 -0.22 2.53 1.01 -1.24 -4.49 120.40 115.46 3ab4 s VAL 169 Ca -0.10 -1.38 -0.04 0.00 0.00 0.00 0.00 61.98 60.46 3ab4 s VAL 169 Cb 0.07 -2.04 0.09 0.00 0.00 0.00 0.00 36.38 34.50 3ab4 s VAL 169 CO 0.80 -0.11 0.16 0.00 0.00 0.00 0.00 175.10 175.96 3ab4 s GLU 171 N 2.21 4.22 -0.25 0.00 2.02 0.33 -2.49 118.70 124.74 3ab4 s GLU 171 Ca 0.06 0.28 -0.08 0.00 0.02 0.00 0.00 54.97 55.24 3ab4 s GLU 171 Cb -0.16 -3.51 -0.04 0.00 0.10 0.00 0.00 34.13 30.53 3ab4 s GLU 171 CO -0.19 0.01 0.10 0.42 0.02 0.00 0.00 175.26 175.62 3ab4 s ILE 172 N 1.15 4.63 -0.07 -1.63 -1.09 0.12 -0.42 121.20 123.89 3ab4 s ILE 172 Ca 0.21 -0.07 0.01 0.00 -2.23 0.00 0.00 60.65 58.57 3ab4 s ILE 172 Cb -0.15 -3.17 -0.03 0.00 -1.58 0.00 0.00 42.46 37.54 3ab4 s ILE 172 CO 0.08 0.33 -0.07 -0.31 -1.23 0.00 0.00 174.94 173.75 3ab4 s TYR 173 N 1.51 2.95 0.00 3.97 2.02 0.71 -1.86 117.35 126.64 3ab4 s TYR 173 Ca 0.06 0.00 0.00 0.00 -0.37 0.00 0.00 57.07 56.76 3ab4 s TYR 173 Cb -0.15 -1.73 0.00 0.00 -0.40 0.00 0.00 41.96 39.68 3ab4 s TYR 173 CO 0.05 0.31 0.00 -1.13 -1.57 0.00 0.00 175.55 173.21 3ab4 n SER 174 N 2.30 0.00 0.00 2.29 3.41 -1.11 -1.74 113.62 118.78 3ab4 n SER 174 Ca -0.18 -0.87 0.11 0.00 -0.26 0.00 0.00 58.87 57.67 3ab4 n SER 174 Cb 0.53 0.00 0.50 0.00 -0.26 0.00 0.00 64.21 64.98 3ab4 n SER 174 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3ab4 n ASP 175 N -0.65 0.00 -4.67 4.04 3.85 -1.26 -2.13 116.55 115.72 3ab4 n ASP 175 Ca 0.00 0.25 -0.39 0.00 -0.71 0.00 0.00 54.79 53.94 3ab4 n ASP 175 Cb 0.00 -0.40 -0.07 0.00 -1.35 0.00 0.00 41.12 39.30 3ab4 n ASP 175 CO 0.00 0.00 0.00 0.68 -1.01 0.00 0.00 177.20 176.87 3ab4 s VAL 176 N -2.80 5.12 -1.33 2.12 -7.23 -1.26 -4.93 120.40 110.09 3ab4 s VAL 176 Ca 0.15 0.95 0.29 0.00 -1.81 0.00 0.00 61.98 61.56 3ab4 s VAL 176 Cb 0.14 -3.84 0.44 0.00 0.56 0.00 0.00 36.38 33.68 3ab4 s VAL 176 CO 0.37 0.19 1.97 -0.90 -0.31 0.00 0.00 175.10 176.42 3ab4 n ASP 177 N 4.68 0.00 0.00 4.85 5.75 -1.26 -3.71 116.55 126.86 3ab4 n ASP 177 Ca -0.05 0.03 0.00 0.00 -0.01 0.00 0.00 54.79 54.76 3ab4 n ASP 177 Cb 0.51 -0.34 0.00 0.00 -1.03 0.00 0.00 41.12 40.26 3ab4 n ASP 177 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ab4 n GLY 178 N 1.21 -1.13 3.81 6.12 0.00 -1.26 -3.98 105.19 109.96 3ab4 n GLY 178 Ca 0.12 -0.82 -0.36 0.00 0.00 0.00 0.00 46.02 44.96 3ab4 n GLY 178 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ab4 s VAL 179 N -3.00 5.03 0.18 1.61 0.11 -1.26 -4.96 120.40 118.12 3ab4 s VAL 179 Ca 0.00 -0.04 0.10 0.00 -2.93 0.00 0.00 61.98 59.12 3ab4 s VAL 179 Cb 0.00 -3.20 -0.04 0.00 -1.53 0.00 0.00 36.38 31.61 3ab4 s VAL 179 CO 0.00 0.56 -0.19 -0.31 -3.33 0.00 0.00 175.10 171.83 3ab4 s TYR 180 N -1.03 2.43 0.48 1.54 2.02 -1.26 -0.74 117.35 120.78 3ab4 s TYR 180 Ca 0.16 -0.31 0.31 0.00 -0.37 0.00 0.00 57.07 56.86 3ab4 s TYR 180 Cb -0.12 -1.20 1.67 0.00 -0.40 0.00 0.00 41.96 41.91 3ab4 s TYR 180 CO 0.06 0.50 2.16 1.79 -1.57 0.00 0.00 175.55 178.48 3ab4 h THR 181 N 3.08 0.45 -2.37 -0.71 1.35 -1.28 -3.45 112.91 109.99 3ab4 h THR 181 Ca -0.47 -0.32 0.10 0.00 -0.55 0.00 0.00 66.41 65.17 3ab4 h THR 181 Cb 1.20 1.22 -0.14 0.00 -1.73 0.00 0.00 68.15 68.70 3ab4 h THR 181 CO 0.50 0.06 0.46 0.00 -0.25 0.00 0.00 175.52 176.29 3ab4 s ALA 182 N -4.28 -1.77 -0.20 6.62 0.00 -1.26 0.16 121.76 121.03 3ab4 s ALA 182 Ca -0.03 0.83 -0.32 0.00 0.00 0.00 0.00 51.96 52.44 3ab4 s ALA 182 Cb 0.13 0.50 -0.09 0.00 0.00 0.00 0.00 23.12 23.66 3ab4 s ALA 182 CO 0.55 -0.75 2.09 -3.47 0.00 0.00 0.00 175.76 174.19 3ab4 n ASP 183 N -0.29 3.05 0.28 0.00 -0.08 -1.26 -4.62 116.55 113.62 3ab4 n ASP 183 Ca -0.09 0.54 0.16 0.00 -1.51 0.00 0.00 54.79 53.89 3ab4 n ASP 183 Cb 0.62 -1.41 0.79 0.00 2.34 0.00 0.00 41.12 43.46 3ab4 n ASP 183 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3ab4 h PRO 184 N 12.22 0.00 -0.25 -0.67 0.11 -1.93 0.31 132.00 141.79 3ab4 h PRO 184 Ca -0.40 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.74 3ab4 h PRO 184 Cb 1.27 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.36 3ab4 h PRO 184 CO 0.97 0.08 0.08 0.00 -0.21 0.00 0.00 178.00 178.92 3ab4 h ARG 185 N 0.00 0.18 0.08 1.05 3.08 -1.97 -3.28 114.38 113.53 3ab4 h ARG 185 Ca -0.00 -0.01 -0.29 0.00 0.07 0.00 0.00 59.98 59.75 3ab4 h ARG 185 Cb 0.34 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 3ab4 h ARG 185 CO 0.01 0.12 -1.47 0.82 -1.07 0.00 0.00 179.97 178.38 3ab4 h ILE 186 N 0.19 1.20 -3.55 2.04 1.08 -1.76 -3.43 117.51 113.27 3ab4 h ILE 186 Ca 0.11 -2.88 -0.61 0.00 -0.39 0.00 0.00 64.86 61.09 3ab4 h ILE 186 Cb 0.09 2.73 -0.39 0.00 -3.07 0.00 0.00 36.82 36.18 3ab4 h ILE 186 CO -0.12 0.80 -0.77 -0.69 -0.69 0.00 0.00 178.15 176.68 3ab4 s VAL 187 N -2.63 1.51 0.19 1.67 1.01 0.03 -4.89 120.40 117.28 3ab4 s VAL 187 Ca -0.07 -1.41 0.00 0.00 0.00 0.00 0.00 61.98 60.51 3ab4 s VAL 187 Cb 0.07 -1.89 -0.10 0.00 0.00 0.00 0.00 36.38 34.47 3ab4 s VAL 187 CO 0.84 -0.28 1.46 1.55 0.00 0.00 0.00 175.10 178.67 3ab4 h PRO 188 N 7.93 0.34 0.00 2.72 0.13 -1.85 -2.44 132.00 138.83 3ab4 h PRO 188 Ca -0.15 -0.28 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3ab4 h PRO 188 Cb 1.06 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3ab4 h PRO 188 CO 0.44 0.92 0.00 0.09 -0.23 0.00 0.00 178.00 179.22 3ab4 n ASN 189 N -3.83 0.00 -4.47 1.44 5.03 -1.26 -4.86 115.26 107.31 3ab4 n ASN 189 Ca -0.04 0.07 -0.38 0.00 0.87 0.00 0.00 54.58 55.11 3ab4 n ASN 189 Cb 0.70 -0.27 0.04 0.00 -1.02 0.00 0.00 39.78 39.22 3ab4 n ASN 189 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3ab4 n ALA 190 N -1.27 -1.10 -3.09 5.41 0.00 -0.92 -4.36 120.51 115.18 3ab4 n ALA 190 Ca 0.06 -0.03 -0.12 0.00 0.00 0.00 0.00 53.44 53.35 3ab4 n ALA 190 Cb 0.10 -1.84 -0.11 0.00 0.00 0.00 0.00 19.45 17.60 3ab4 n ALA 190 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3ab4 s GLN 191 N -2.15 0.32 0.12 0.00 0.74 -1.26 -4.96 119.66 112.48 3ab4 s GLN 191 Ca 0.69 0.04 -0.31 0.00 0.05 0.00 0.00 55.36 55.83 3ab4 s GLN 191 Cb -0.44 0.15 -0.08 0.00 1.10 0.00 0.00 33.01 33.74 3ab4 s GLN 191 CO 0.54 -0.06 1.33 0.21 -0.55 0.00 0.00 175.29 176.76 3ab4 s LYS 192 N -0.42 4.36 0.25 1.67 2.20 -1.26 -0.93 119.74 125.60 3ab4 s LYS 192 Ca -0.05 2.01 -0.30 0.00 -0.36 0.00 0.00 55.97 57.27 3ab4 s LYS 192 Cb -0.03 -3.25 -0.09 0.00 -1.51 0.00 0.00 37.83 32.94 3ab4 s LYS 192 CO 0.01 -0.36 1.15 -0.51 -0.36 0.00 0.00 175.35 175.28 3ab4 s LEU 193 N 0.81 4.50 -0.10 5.43 1.02 0.08 -4.92 118.68 125.51 3ab4 s LEU 193 Ca 0.62 2.28 -0.12 0.00 0.02 0.00 0.00 54.13 56.93 3ab4 s LEU 193 Cb -0.35 -3.62 -0.10 0.00 0.02 0.00 0.00 46.19 42.14 3ab4 s LEU 193 CO 0.32 -0.25 0.36 -0.33 0.02 0.00 0.00 176.35 176.46 3ab4 h GLU 194 N 4.33 -0.06 -5.22 1.70 5.08 -1.89 -3.37 114.58 115.16 3ab4 h GLU 194 Ca -0.46 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.53 3ab4 h GLU 194 Cb 1.21 0.01 -0.17 0.00 0.50 0.00 0.00 28.75 30.30 3ab4 h GLU 194 CO 0.70 0.29 -0.74 0.21 -1.00 0.00 0.00 179.01 178.46 3ab4 s LYS 195 N -2.06 0.99 -0.03 2.33 2.20 -1.26 -1.14 119.74 120.77 3ab4 s LYS 195 Ca -0.07 -1.27 -0.28 0.00 -0.36 0.00 0.00 55.97 53.99 3ab4 s LYS 195 Cb -0.01 -0.74 0.06 0.00 -1.51 0.00 0.00 37.83 35.63 3ab4 s LYS 195 CO 0.27 0.13 0.62 -1.17 -0.36 0.00 0.00 175.35 174.83 3ab4 s LEU 196 N -2.63 -0.42 0.48 5.43 0.20 0.11 -4.91 118.68 116.95 3ab4 s LEU 196 Ca 0.10 0.55 -0.03 0.00 0.69 0.00 0.00 54.13 55.44 3ab4 s LEU 196 Cb -0.03 2.35 -0.01 0.00 -0.43 0.00 0.00 46.19 48.07 3ab4 s LEU 196 CO 0.02 -0.62 0.75 -0.94 -0.29 0.00 0.00 176.35 175.27 3ab4 s SER 197 N -1.36 5.97 0.16 3.68 1.04 -1.26 -1.21 113.70 120.72 3ab4 s SER 197 Ca -0.10 0.63 -0.18 0.00 0.48 0.00 0.00 55.95 56.79 3ab4 s SER 197 Cb -0.01 -1.88 0.08 0.00 0.10 0.00 0.00 66.02 64.32 3ab4 s SER 197 CO 0.07 -0.71 1.66 -0.26 0.98 0.00 0.00 173.24 174.99 3ab4 h PHE 198 N 0.23 -0.26 0.01 5.02 0.04 -1.60 -1.93 116.94 118.45 3ab4 h PHE 198 Ca -0.47 0.04 -0.20 0.00 2.80 0.00 0.00 57.97 60.14 3ab4 h PHE 198 Cb 1.23 0.17 -0.02 0.00 2.20 0.00 0.00 35.95 39.54 3ab4 h PHE 198 CO 0.51 -0.19 -0.89 1.05 -0.60 0.00 0.00 178.31 178.19 3ab4 h GLU 199 N -0.03 0.11 -0.57 1.51 9.09 -1.95 -1.30 114.58 121.44 3ab4 h GLU 199 Ca 0.18 -0.14 0.00 0.00 0.05 0.00 0.00 59.36 59.46 3ab4 h GLU 199 Cb 0.31 0.04 -0.03 0.00 -1.65 0.00 0.00 28.75 27.42 3ab4 h GLU 199 CO -0.40 0.93 0.37 0.93 0.05 0.00 0.00 179.01 180.89 3ab4 h GLU 200 N 0.06 0.76 0.09 1.06 5.08 -1.94 -0.75 114.58 118.94 3ab4 h GLU 200 Ca -0.03 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3ab4 h GLU 200 Cb 1.55 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.63 3ab4 h GLU 200 CO 0.13 0.51 -0.05 1.98 -1.00 0.00 0.00 179.01 180.59 3ab4 h MET 201 N 0.78 -0.12 -0.79 2.33 4.05 -0.57 -2.04 114.93 118.56 3ab4 h MET 201 Ca 0.21 0.01 0.17 0.00 -0.28 0.00 0.00 59.70 59.81 3ab4 h MET 201 Cb -0.08 0.03 -0.11 0.00 -0.80 0.00 0.00 31.60 30.64 3ab4 h MET 201 CO -0.04 0.19 0.28 -0.07 0.23 0.00 0.00 176.91 177.50 3ab4 h LEU 202 N -0.44 0.19 -0.23 3.39 -0.00 -1.10 0.78 115.31 117.90 3ab4 h LEU 202 Ca -0.01 0.14 -0.11 0.00 -0.00 0.00 0.00 57.88 57.89 3ab4 h LEU 202 Cb 0.37 0.14 -0.00 0.00 -0.00 0.00 0.00 40.66 41.17 3ab4 h LEU 202 CO 0.02 0.02 -0.28 -0.08 -0.00 0.00 0.00 178.44 178.12 3ab4 h GLU 203 N 0.37 0.60 -0.42 1.13 4.57 -1.05 0.33 114.58 120.11 3ab4 h GLU 203 Ca 0.46 -0.34 -0.02 0.00 -1.18 0.00 0.00 59.36 58.29 3ab4 h GLU 203 Cb 0.79 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.38 3ab4 h GLU 203 CO -0.48 0.94 0.20 -0.07 -1.18 0.00 0.00 179.01 178.42 3ab4 h LEU 204 N 0.30 0.56 -1.27 1.64 3.38 -1.02 -2.91 115.31 115.98 3ab4 h LEU 204 Ca 0.03 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 3ab4 h LEU 204 Cb 0.85 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 3ab4 h LEU 204 CO 0.07 0.53 0.09 0.00 0.09 0.00 0.00 178.44 179.22 3ab4 h ALA 205 N 1.05 1.42 0.00 1.53 0.00 -0.69 -1.88 119.26 120.68 3ab4 h ALA 205 Ca 0.15 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3ab4 h ALA 205 Cb 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3ab4 h ALA 205 CO -0.02 0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.66 3ab4 n ALA 206 N -2.47 1.52 -0.68 0.00 0.00 0.11 -3.85 120.51 115.13 3ab4 n ALA 206 Ca 0.02 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3ab4 n ALA 206 Cb 0.20 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.31 3ab4 n ALA 206 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3ab4 n VAL 207 N -2.09 0.23 0.00 0.00 0.31 -0.76 -5.00 118.33 111.02 3ab4 n VAL 207 Ca 0.02 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 3ab4 n VAL 207 Cb 0.17 1.08 0.00 0.00 -0.91 0.00 0.00 33.84 34.18 3ab4 n VAL 207 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ab4 n GLY 208 N -0.11 -1.41 3.57 2.92 0.00 -0.91 -4.32 105.19 104.94 3ab4 n GLY 208 Ca 0.00 0.53 -0.44 0.00 0.00 0.00 0.00 46.02 46.10 3ab4 n GLY 208 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ab4 n SER 209 N 0.00 1.02 -0.56 1.61 7.64 -1.00 -4.92 113.62 117.40 3ab4 n SER 209 Ca 0.00 1.14 0.08 0.00 1.01 0.00 0.00 58.87 61.11 3ab4 n SER 209 Cb 0.00 -1.27 0.20 0.00 -1.01 0.00 0.00 64.21 62.13 3ab4 n SER 209 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 3ab4 n LYS 210 N 0.67 2.38 0.34 1.43 0.00 -1.26 -4.61 118.16 117.10 3ab4 n LYS 210 Ca 0.10 -2.63 -0.13 0.00 -0.00 0.00 0.00 58.31 55.65 3ab4 n LYS 210 Cb 0.33 -1.65 -0.06 0.00 -0.00 0.00 0.00 35.03 33.65 3ab4 n LYS 210 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 3ab4 h ILE 211 N 1.14 0.00 -1.86 0.58 5.03 -1.96 -3.44 117.51 117.00 3ab4 h ILE 211 Ca 0.00 0.00 -0.49 0.00 -0.12 0.00 0.00 64.86 64.25 3ab4 h ILE 211 Cb 1.20 0.00 -0.04 0.00 -3.03 0.00 0.00 36.82 34.95 3ab4 h ILE 211 CO 0.12 0.00 -0.44 -0.76 -0.68 0.00 0.00 178.15 176.39 3ab4 s LEU 212 N -7.81 3.64 -0.12 1.44 2.01 -1.26 -5.09 118.68 111.49 3ab4 s LEU 212 Ca -0.13 -0.46 -0.24 0.00 0.01 0.00 0.00 54.13 53.31 3ab4 s LEU 212 Cb 0.01 -2.26 -0.03 0.00 0.01 0.00 0.00 46.19 43.93 3ab4 s LEU 212 CO 0.38 -0.35 0.74 0.68 1.01 0.00 0.00 176.35 178.81 3ab4 s VAL 213 N -2.29 4.99 0.25 -1.59 -7.23 -1.26 -4.98 120.40 108.29 3ab4 s VAL 213 Ca 0.41 1.48 -0.05 0.00 -1.81 0.00 0.00 61.98 62.02 3ab4 s VAL 213 Cb -0.06 -4.06 0.23 0.00 0.56 0.00 0.00 36.38 33.05 3ab4 s VAL 213 CO 0.27 0.16 1.69 -0.07 -0.31 0.00 0.00 175.10 176.84 3ab4 h LEU 214 N 7.46 0.07 -0.89 1.32 3.38 -1.97 0.23 115.31 124.91 3ab4 h LEU 214 Ca -0.36 0.14 0.21 0.00 0.09 0.00 0.00 57.88 57.96 3ab4 h LEU 214 Cb 1.17 0.18 -0.12 0.00 0.09 0.00 0.00 40.66 41.97 3ab4 h LEU 214 CO 0.78 -0.01 0.39 -0.09 0.09 0.00 0.00 178.44 179.60 3ab4 h ARG 215 N 0.30 0.41 -0.06 1.13 1.12 -1.99 -0.75 114.38 114.54 3ab4 h ARG 215 Ca 0.42 -0.02 -0.24 0.00 -1.11 0.00 0.00 59.98 59.02 3ab4 h ARG 215 Cb 0.71 -0.09 0.01 0.00 -0.01 0.00 0.00 29.97 30.59 3ab4 h ARG 215 CO -0.49 0.27 -0.91 0.66 -3.11 0.00 0.00 179.97 176.39 3ab4 h SER 216 N 0.42 0.84 -0.44 -3.80 4.64 -0.90 -1.36 113.55 112.96 3ab4 h SER 216 Ca 0.54 -0.62 -0.03 0.00 -0.47 0.00 0.00 61.79 61.21 3ab4 h SER 216 Cb 1.00 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.81 3ab4 h SER 216 CO -0.51 1.42 0.17 0.58 -0.87 0.00 0.00 176.83 177.62 3ab4 h VAL 217 N 0.42 1.19 -0.05 0.95 2.07 -1.12 -1.55 116.25 118.16 3ab4 h VAL 217 Ca -0.09 -0.64 -0.16 0.00 0.82 0.00 0.00 66.70 66.63 3ab4 h VAL 217 Cb 1.55 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 3ab4 h VAL 217 CO 0.18 0.25 -0.66 -0.08 0.02 0.00 0.00 177.57 177.27 3ab4 h GLU 218 N 0.71 0.22 -0.25 1.57 4.57 -0.88 -1.11 114.58 119.41 3ab4 h GLU 218 Ca 0.17 -0.17 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3ab4 h GLU 218 Cb 0.19 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 3ab4 h GLU 218 CO -0.01 0.80 0.15 -0.92 -1.18 0.00 0.00 179.01 177.85 3ab4 h TYR 219 N 0.16 0.32 -0.80 0.92 5.03 -0.97 -2.41 116.97 119.22 3ab4 h TYR 219 Ca -0.01 -0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.29 3ab4 h TYR 219 Cb 1.19 -0.11 -0.04 0.00 1.55 0.00 0.00 36.73 39.32 3ab4 h TYR 219 CO 0.02 0.24 0.49 0.00 -1.32 0.00 0.00 178.16 177.60 3ab4 h ALA 220 N 1.05 1.02 -0.73 1.82 0.00 -0.95 -2.77 119.26 118.71 3ab4 h ALA 220 Ca 0.09 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ab4 h ALA 220 Cb 0.01 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 3ab4 h ALA 220 CO -0.02 0.48 0.45 -0.09 0.00 0.00 0.00 179.25 180.07 3ab4 h ARG 221 N 1.10 0.98 -0.06 0.00 1.12 -1.09 0.28 114.38 116.71 3ab4 h ARG 221 Ca 0.29 -0.09 -0.08 0.00 -1.11 0.00 0.00 59.98 58.99 3ab4 h ARG 221 Cb -0.05 -0.21 -0.01 0.00 -0.01 0.00 0.00 29.97 29.69 3ab4 h ARG 221 CO -0.06 0.69 -0.35 0.00 -3.11 0.00 0.00 179.97 177.14 3ab4 h ALA 222 N 1.24 1.30 -0.01 2.80 0.00 -1.17 -3.26 119.26 120.15 3ab4 h ALA 222 Ca 0.26 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3ab4 h ALA 222 Cb -0.05 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3ab4 h ALA 222 CO -0.05 0.50 -0.01 1.19 0.00 0.00 0.00 179.25 180.88 3ab4 n PHE 223 N -4.09 0.00 -3.10 0.00 3.72 -1.01 -5.01 117.46 107.97 3ab4 n PHE 223 Ca -0.02 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.25 3ab4 n PHE 223 Cb 0.41 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 39.02 3ab4 n PHE 223 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3ab4 n ASN 224 N 0.60 -4.15 -4.37 4.37 5.15 0.84 -5.00 115.26 112.70 3ab4 n ASN 224 Ca 0.06 -0.57 -0.41 0.00 -0.60 0.00 0.00 54.58 53.06 3ab4 n ASN 224 Cb 0.28 -4.49 -0.10 0.00 -0.53 0.00 0.00 39.78 34.93 3ab4 n ASN 224 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3ab4 s VAL 225 N -3.32 4.69 0.21 3.44 1.01 -0.38 -5.04 120.40 121.02 3ab4 s VAL 225 Ca 0.21 -0.93 -0.31 0.00 0.00 0.00 0.00 61.98 60.95 3ab4 s VAL 225 Cb -0.03 -3.67 -0.10 0.00 0.00 0.00 0.00 36.38 32.58 3ab4 s VAL 225 CO 0.63 -0.32 1.52 -2.84 0.00 0.00 0.00 175.10 174.09 3ab4 s PRO 226 N 1.56 4.23 0.12 2.72 0.02 -1.26 -4.76 135.00 137.62 3ab4 s PRO 226 Ca 0.03 2.36 0.04 0.00 0.02 0.00 0.00 61.00 63.45 3ab4 s PRO 226 Cb -0.20 -3.12 -0.04 0.00 0.02 0.00 0.00 34.50 31.16 3ab4 s PRO 226 CO 0.07 -0.53 0.09 -0.51 -0.33 0.00 0.00 177.00 175.78 3ab4 s LEU 227 N 0.34 3.74 -0.14 -5.54 1.43 0.21 -1.42 118.68 117.29 3ab4 s LEU 227 Ca 0.65 -0.10 -0.00 0.00 -1.03 0.00 0.00 54.13 53.65 3ab4 s LEU 227 Cb -0.43 -2.39 0.03 0.00 0.03 0.00 0.00 46.19 43.42 3ab4 s LEU 227 CO 0.38 0.13 -0.08 -0.60 0.23 0.00 0.00 176.35 176.41 3ab4 s ARG 228 N -2.69 1.65 -0.33 1.70 3.52 -1.04 -0.06 118.95 121.70 3ab4 s ARG 228 Ca 0.29 -0.39 -0.24 0.00 -0.13 0.00 0.00 55.73 55.26 3ab4 s ARG 228 Cb -0.11 -1.81 0.01 0.00 -1.56 0.00 0.00 34.95 31.47 3ab4 s ARG 228 CO 0.22 -0.31 0.84 0.08 -0.81 0.00 0.00 175.30 175.32 3ab4 s VAL 229 N 1.64 4.71 0.21 7.11 1.01 -0.55 -0.70 120.40 133.83 3ab4 s VAL 229 Ca 0.04 1.17 0.02 0.00 0.00 0.00 0.00 61.98 63.20 3ab4 s VAL 229 Cb -0.13 -4.22 -0.05 0.00 0.00 0.00 0.00 36.38 31.97 3ab4 s VAL 229 CO -0.08 -0.37 0.04 -0.13 0.00 0.00 0.00 175.10 174.55 3ab4 s ARG 230 N 3.16 1.24 -0.20 2.72 0.52 -0.78 -1.62 118.95 123.99 3ab4 s ARG 230 Ca 0.34 -1.63 -0.10 0.00 -0.52 0.00 0.00 55.73 53.82 3ab4 s ARG 230 Cb -0.13 -0.27 -0.05 0.00 0.52 0.00 0.00 34.95 35.01 3ab4 s ARG 230 CO 0.15 -0.20 0.15 0.45 0.02 0.00 0.00 175.30 175.87 3ab4 s SER 231 N -3.24 6.21 -0.00 0.23 0.15 -1.24 -2.74 113.70 113.08 3ab4 s SER 231 Ca 0.30 0.23 0.01 0.00 0.70 0.00 0.00 55.95 57.19 3ab4 s SER 231 Cb 0.07 -2.10 0.02 0.00 -1.71 0.00 0.00 66.02 62.30 3ab4 s SER 231 CO 0.08 0.15 0.86 -1.54 1.20 0.00 0.00 173.24 174.00 3ab4 n SER 232 N 3.65 0.44 0.00 5.45 3.41 -0.91 -3.63 113.62 122.03 3ab4 n SER 232 Ca -0.15 -2.01 0.00 0.00 -0.26 0.00 0.00 58.87 56.45 3ab4 n SER 232 Cb 0.52 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 3ab4 n SER 232 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3ab4 n TYR 233 N -0.29 0.00 -4.22 7.33 4.01 -1.26 -4.89 117.16 117.83 3ab4 n TYR 233 Ca 0.01 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.57 3ab4 n TYR 233 Cb 0.10 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.06 3ab4 n TYR 233 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3ab4 s SER 234 N -1.04 1.37 -0.07 7.72 1.04 -1.24 -5.05 113.70 116.43 3ab4 s SER 234 Ca 0.00 -1.66 0.16 0.00 0.48 0.00 0.00 55.95 54.93 3ab4 s SER 234 Cb 0.00 0.57 0.55 0.00 0.10 0.00 0.00 66.02 67.24 3ab4 s SER 234 CO 0.00 -1.11 1.47 0.59 0.98 0.00 0.00 173.24 175.16 3ab4 n ASN 235 N -1.43 3.91 -4.67 7.02 3.02 -1.26 -4.67 115.26 117.18 3ab4 n ASN 235 Ca 0.05 -2.31 -0.47 0.00 -0.03 0.00 0.00 54.58 51.83 3ab4 n ASN 235 Cb 0.62 -0.45 -0.04 0.00 -0.61 0.00 0.00 39.78 39.30 3ab4 n ASN 235 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3ab4 n ASP 236 N 0.78 3.29 0.00 6.41 2.03 -1.26 -4.87 116.55 122.92 3ab4 n ASP 236 Ca 0.20 1.04 0.06 0.00 0.52 0.00 0.00 54.79 56.61 3ab4 n ASP 236 Cb 0.70 -1.41 0.29 0.00 -0.72 0.00 0.00 41.12 39.97 3ab4 n ASP 236 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3ab4 n PRO 237 N 4.77 0.14 0.00 -0.67 -0.04 -1.26 -4.45 135.00 133.49 3ab4 n PRO 237 Ca 0.19 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 3ab4 n PRO 237 Cb 0.30 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 3ab4 n PRO 237 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ab4 n GLY 238 N -0.28 -1.17 3.22 0.55 0.00 -1.26 -4.82 105.19 101.43 3ab4 n GLY 238 Ca 0.05 -1.31 -0.33 0.00 0.00 0.00 0.00 46.02 44.44 3ab4 n GLY 238 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ab4 s THR 239 N 0.00 2.36 -0.02 2.61 2.01 -0.64 -4.75 115.64 117.21 3ab4 s THR 239 Ca 0.00 -0.88 -0.25 0.00 0.31 0.00 0.00 61.69 60.87 3ab4 s THR 239 Cb 0.00 -1.96 -0.04 0.00 0.01 0.00 0.00 72.50 70.50 3ab4 s THR 239 CO 0.00 0.53 0.75 -0.22 -0.69 0.00 0.00 174.62 175.00 3ab4 s LEU 240 N 0.76 4.37 -0.35 4.42 2.96 -0.29 -1.49 118.68 129.07 3ab4 s LEU 240 Ca -0.07 1.33 -0.09 0.00 -0.22 0.00 0.00 54.13 55.08 3ab4 s LEU 240 Cb -0.16 -3.19 0.03 0.00 0.50 0.00 0.00 46.19 43.37 3ab4 s LEU 240 CO -0.00 -0.08 0.16 -0.63 -1.32 0.00 0.00 176.35 174.48 3ab4 s ILE 241 N 0.48 4.27 0.06 6.68 1.09 0.91 -0.71 121.20 133.98 3ab4 s ILE 241 Ca 0.39 -0.88 -0.27 0.00 -1.10 0.00 0.00 60.65 58.79 3ab4 s ILE 241 Cb -0.19 -3.36 0.07 0.00 -1.06 0.00 0.00 42.46 37.92 3ab4 s ILE 241 CO 0.21 -0.16 0.66 0.00 -0.10 0.00 0.00 174.94 175.55 3ab4 s ALA 242 N 1.51 -1.69 0.00 9.38 0.00 -0.35 -0.62 121.76 129.99 3ab4 s ALA 242 Ca 0.01 0.89 0.00 0.00 0.00 0.00 0.00 51.96 52.86 3ab4 s ALA 242 Cb -0.19 0.46 0.00 0.00 0.00 0.00 0.00 23.12 23.39 3ab4 s ALA 242 CO 0.05 -0.59 0.00 0.41 0.00 0.00 0.00 175.76 175.63 3ab4 n GLY 243 N 0.19 -1.98 3.80 0.00 0.00 -1.26 -4.10 105.19 101.84 3ab4 n GLY 243 Ca -0.17 -1.32 -0.39 0.00 0.00 0.00 0.00 46.02 44.14 3ab4 n GLY 243 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ab4 s SER 244 N -2.11 7.09 0.43 1.61 0.15 -1.26 -2.17 113.70 117.43 3ab4 s SER 244 Ca 0.00 1.29 0.15 0.00 0.70 0.00 0.00 55.95 58.09 3ab4 s SER 244 Cb 0.00 -2.37 1.04 0.00 -1.71 0.00 0.00 66.02 62.98 3ab4 s SER 244 CO 0.00 0.26 1.95 -0.03 1.20 0.00 0.00 173.24 176.62 3ab4 h MET 245 N 4.58 0.40 -0.01 5.44 4.05 -1.95 -1.02 114.93 126.41 3ab4 h MET 245 Ca -0.49 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 58.91 3ab4 h MET 245 Cb 1.21 -0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 31.92 3ab4 h MET 245 CO 0.64 0.26 0.02 1.05 0.23 0.00 0.00 176.91 179.11 3ab4 h GLU 246 N 0.41 0.00 -0.09 0.39 4.11 -2.02 -1.61 114.58 115.77 3ab4 h GLU 246 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.76 3ab4 h GLU 246 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 3ab4 h GLU 246 CO -0.10 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.73 3ab4 n ASP 247 N -3.63 2.09 -4.71 3.06 8.00 -0.39 -4.86 116.55 116.11 3ab4 n ASP 247 Ca -0.03 -1.71 -0.40 0.00 0.71 0.00 0.00 54.79 53.36 3ab4 n ASP 247 Cb 0.10 -0.05 -0.05 0.00 -0.02 0.00 0.00 41.12 41.10 3ab4 n ASP 247 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ab4 s ILE 248 N -1.90 5.06 1.06 0.53 1.01 -0.61 -5.04 121.20 121.31 3ab4 s ILE 248 Ca 0.35 1.37 -0.12 0.00 0.00 0.00 0.00 60.65 62.24 3ab4 s ILE 248 Cb 0.20 -4.01 0.22 0.00 0.01 0.00 0.00 42.46 38.89 3ab4 s ILE 248 CO 0.31 0.24 1.07 -2.84 0.00 0.00 0.00 174.94 173.71 3ab4 s PRO 249 N 0.93 -0.09 0.04 2.79 0.02 -1.26 -4.85 135.00 132.59 3ab4 s PRO 249 Ca 0.35 0.90 -0.16 0.00 0.02 0.00 0.00 61.00 62.11 3ab4 s PRO 249 Cb -0.17 -1.65 -0.30 0.00 0.02 0.00 0.00 34.50 32.40 3ab4 s PRO 249 CO 0.16 -3.18 1.08 0.28 -0.33 0.00 0.00 177.00 175.01 3ab4 h VAL 250 N -2.23 1.30 -0.30 3.83 2.07 -1.97 -0.86 116.25 118.09 3ab4 h VAL 250 Ca -0.56 -2.47 -0.10 0.00 0.82 0.00 0.00 66.70 64.40 3ab4 h VAL 250 Cb 1.31 2.76 -0.01 0.00 -1.52 0.00 0.00 31.29 33.83 3ab4 h VAL 250 CO 0.51 0.74 -0.23 -0.33 0.02 0.00 0.00 177.57 178.28 3ab4 h GLU 251 N 0.20 0.57 0.00 1.57 3.07 -2.01 -3.04 114.58 114.94 3ab4 h GLU 251 Ca -0.19 -0.21 0.00 0.00 -0.50 0.00 0.00 59.36 58.46 3ab4 h GLU 251 Cb 1.90 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.77 3ab4 h GLU 251 CO 0.23 0.76 -0.16 -0.85 -1.40 0.00 0.00 179.01 177.59 3ab4 n GLU 252 N -4.12 0.01 -2.48 2.33 0.28 -1.21 -4.88 120.64 110.57 3ab4 n GLU 252 Ca -0.00 0.01 -0.42 0.00 -0.16 0.00 0.00 57.16 56.59 3ab4 n GLU 252 Cb 0.41 -1.51 -0.03 0.00 1.43 0.00 0.00 31.44 31.74 3ab4 n GLU 252 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3ab4 s ALA 253 N -3.01 3.35 0.31 -1.84 0.00 -0.33 -4.88 121.76 115.36 3ab4 s ALA 253 Ca 0.13 0.79 0.03 0.00 0.00 0.00 0.00 51.96 52.91 3ab4 s ALA 253 Cb 0.18 -3.42 -0.06 0.00 0.00 0.00 0.00 23.12 19.82 3ab4 s ALA 253 CO 0.59 -0.39 0.07 0.54 0.00 0.00 0.00 175.76 176.57 3ab4 s VAL 254 N 0.99 0.99 -0.15 0.00 0.11 -1.26 -4.39 120.40 116.68 3ab4 s VAL 254 Ca 0.57 -2.00 -0.20 0.00 -2.93 0.00 0.00 61.98 57.42 3ab4 s VAL 254 Cb -0.28 -2.73 -0.03 0.00 -1.53 0.00 0.00 36.38 31.81 3ab4 s VAL 254 CO 0.29 0.00 0.59 -0.76 -3.33 0.00 0.00 175.10 171.89 3ab4 s LEU 255 N -3.45 4.21 -0.13 2.54 1.43 -1.26 -1.83 118.68 120.18 3ab4 s LEU 255 Ca 0.36 0.87 -0.20 0.00 -1.03 0.00 0.00 54.13 54.13 3ab4 s LEU 255 Cb 0.08 -2.85 -0.18 0.00 0.03 0.00 0.00 46.19 43.27 3ab4 s LEU 255 CO 0.15 -0.16 0.50 0.74 0.23 0.00 0.00 176.35 177.81 3ab4 h THR 256 N 4.98 1.21 -1.12 5.49 2.02 -1.64 -3.49 112.91 120.37 3ab4 h THR 256 Ca -0.36 -1.94 0.37 0.00 0.77 0.00 0.00 66.41 65.25 3ab4 h THR 256 Cb 1.16 2.32 -0.14 0.00 -1.74 0.00 0.00 68.15 69.76 3ab4 h THR 256 CO 0.76 0.41 0.95 -0.83 0.37 0.00 0.00 175.52 177.19 3ab4 s GLY 257 N -4.08 -0.46 -0.13 2.16 0.00 -1.05 -4.57 107.32 99.19 3ab4 s GLY 257 Ca -0.14 0.99 -0.01 0.00 0.00 0.00 0.00 44.72 45.56 3ab4 s GLY 257 CO 0.49 0.21 -0.10 0.14 0.00 0.00 0.00 173.10 173.84 3ab4 s VAL 258 N -2.12 3.38 0.13 1.40 1.01 0.12 -0.94 120.40 123.38 3ab4 s VAL 258 Ca 0.14 -0.55 0.07 0.00 0.00 0.00 0.00 61.98 61.64 3ab4 s VAL 258 Cb 0.06 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 3ab4 s VAL 258 CO -0.06 0.52 -0.16 0.00 0.00 0.00 0.00 175.10 175.41 3ab4 s ALA 259 N 0.21 1.68 0.04 5.51 0.00 -0.46 -4.22 121.76 124.52 3ab4 s ALA 259 Ca -0.06 -1.35 0.02 0.00 0.00 0.00 0.00 51.96 50.57 3ab4 s ALA 259 Cb -0.15 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.83 3ab4 s ALA 259 CO 0.04 0.16 -0.08 -0.08 0.00 0.00 0.00 175.76 175.81 3ab4 s THR 260 N -2.04 0.55 -0.18 0.00 -1.32 -1.26 -0.92 115.64 110.47 3ab4 s THR 260 Ca 0.11 -1.00 -0.06 0.00 -1.21 0.00 0.00 61.69 59.52 3ab4 s THR 260 Cb -0.05 -0.60 0.08 0.00 -1.51 0.00 0.00 72.50 70.41 3ab4 s THR 260 CO 0.04 -0.32 0.37 -0.62 -2.21 0.00 0.00 174.62 171.88 3ab4 s ASP 261 N -1.44 -0.05 -0.15 8.08 -1.08 0.16 -4.42 116.67 117.77 3ab4 s ASP 261 Ca -0.08 0.86 0.18 0.00 -0.52 0.00 0.00 52.55 52.98 3ab4 s ASP 261 Cb -0.09 1.14 0.39 0.00 -1.46 0.00 0.00 42.92 42.89 3ab4 s ASP 261 CO 0.00 -0.23 1.27 2.29 0.52 0.00 0.00 175.17 179.02 3ab4 n LYS 262 N 5.38 2.01 -0.16 4.34 2.85 -1.26 0.08 118.16 131.40 3ab4 n LYS 262 Ca -0.08 -2.68 0.11 0.00 -1.05 0.00 0.00 58.31 54.61 3ab4 n LYS 262 Cb 0.49 -1.64 0.19 0.00 -0.65 0.00 0.00 35.03 33.42 3ab4 n LYS 262 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 3ab4 n SER 263 N -1.02 3.30 -4.74 -5.58 3.41 -1.26 -4.97 113.62 102.76 3ab4 n SER 263 Ca 0.18 -1.95 -0.25 0.00 -0.26 0.00 0.00 58.87 56.59 3ab4 n SER 263 Cb 0.74 -0.22 -0.06 0.00 -0.26 0.00 0.00 64.21 64.42 3ab4 n SER 263 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3ab4 s GLU 264 N -1.43 2.66 0.18 4.33 0.41 -1.26 -1.93 118.70 121.66 3ab4 s GLU 264 Ca 0.35 -1.07 0.10 0.00 -0.41 0.00 0.00 54.97 53.93 3ab4 s GLU 264 Cb 0.21 -2.46 -0.04 0.00 -1.78 0.00 0.00 34.13 30.05 3ab4 s GLU 264 CO 0.29 0.44 -0.14 0.00 -0.49 0.00 0.00 175.26 175.35 3ab4 s ALA 265 N -1.93 2.81 -0.13 5.21 0.00 0.13 -4.41 121.76 123.44 3ab4 s ALA 265 Ca 0.30 -1.53 -0.01 0.00 0.00 0.00 0.00 51.96 50.73 3ab4 s ALA 265 Cb -0.09 -0.60 -0.02 0.00 0.00 0.00 0.00 23.12 22.41 3ab4 s ALA 265 CO 0.22 0.46 -0.11 0.21 0.00 0.00 0.00 175.76 176.54 3ab4 s LYS 266 N -2.77 3.37 -0.01 0.00 2.20 0.11 -1.59 119.74 121.05 3ab4 s LYS 266 Ca 0.23 -0.64 0.08 0.00 -0.36 0.00 0.00 55.97 55.28 3ab4 s LYS 266 Cb -0.09 -2.67 -0.02 0.00 -1.51 0.00 0.00 37.83 33.54 3ab4 s LYS 266 CO 0.13 0.27 -0.26 0.08 -0.36 0.00 0.00 175.35 175.21 3ab4 s VAL 267 N 0.23 2.05 -0.10 4.02 1.01 -0.29 -0.46 120.40 126.85 3ab4 s VAL 267 Ca -0.07 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 60.77 3ab4 s VAL 267 Cb -0.15 -1.70 0.02 0.00 0.00 0.00 0.00 36.38 34.55 3ab4 s VAL 267 CO 0.05 0.55 -0.08 -0.89 0.00 0.00 0.00 175.10 174.73 3ab4 s THR 268 N -0.63 1.02 -0.33 3.92 2.01 -0.38 -1.71 115.64 119.55 3ab4 s THR 268 Ca 0.10 -0.31 -0.16 0.00 0.31 0.00 0.00 61.69 61.63 3ab4 s THR 268 Cb -0.10 -1.02 -0.02 0.00 0.01 0.00 0.00 72.50 71.37 3ab4 s THR 268 CO -0.01 0.36 0.41 -0.69 -0.69 0.00 0.00 174.62 174.01 3ab4 s VAL 269 N 1.49 5.12 -0.03 3.82 1.01 0.09 -0.21 120.40 131.69 3ab4 s VAL 269 Ca 0.01 0.28 0.07 0.00 0.00 0.00 0.00 61.98 62.34 3ab4 s VAL 269 Cb -0.13 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 3ab4 s VAL 269 CO -0.06 -0.07 -0.23 -1.48 0.00 0.00 0.00 175.10 173.26 3ab4 s LEU 270 N 2.15 2.21 0.00 3.92 2.34 -0.82 -0.84 118.68 127.64 3ab4 s LEU 270 Ca 0.15 -0.41 0.00 0.00 0.06 0.00 0.00 54.13 53.93 3ab4 s LEU 270 Cb -0.16 -1.39 0.00 0.00 -0.56 0.00 0.00 46.19 44.08 3ab4 s LEU 270 CO 0.12 0.33 0.00 0.61 -1.06 0.00 0.00 176.35 176.34 3ab4 n GLY 271 N 2.40 1.20 3.72 -3.48 0.00 -1.13 -2.52 105.19 105.38 3ab4 n GLY 271 Ca -0.16 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 3ab4 n GLY 271 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ab4 s ILE 272 N -2.00 4.43 0.24 -0.61 1.01 0.11 -4.38 121.20 120.00 3ab4 s ILE 272 Ca 0.00 1.91 -0.30 0.00 0.00 0.00 0.00 60.65 62.26 3ab4 s ILE 272 Cb 0.00 -4.22 -0.09 0.00 0.01 0.00 0.00 42.46 38.16 3ab4 s ILE 272 CO 0.00 0.24 1.11 -0.94 0.00 0.00 0.00 174.94 175.35 3ab4 s SER 273 N 0.40 7.25 -1.09 3.58 1.04 -1.26 0.73 113.70 124.34 3ab4 s SER 273 Ca 0.50 2.22 -0.19 0.00 0.48 0.00 0.00 55.95 58.96 3ab4 s SER 273 Cb -0.25 -2.62 0.09 0.00 0.10 0.00 0.00 66.02 63.35 3ab4 s SER 273 CO 0.30 -0.18 1.43 -0.62 0.98 0.00 0.00 173.24 175.15 3ab4 s ASP 274 N -0.58 6.70 -0.27 7.02 3.68 -1.10 -4.82 116.67 127.30 3ab4 s ASP 274 Ca 0.47 -2.06 -0.23 0.00 2.13 0.00 0.00 52.55 52.85 3ab4 s ASP 274 Cb -0.31 -2.50 0.07 0.00 -1.45 0.00 0.00 42.92 38.73 3ab4 s ASP 274 CO 0.39 -1.20 0.72 -0.75 0.13 0.00 0.00 175.17 174.46 3ab4 s LYS 275 N 3.71 0.79 0.42 4.34 2.20 -1.26 -5.04 119.74 124.90 3ab4 s LYS 275 Ca 0.44 1.04 -0.24 0.00 -0.36 0.00 0.00 55.97 56.85 3ab4 s LYS 275 Cb -0.01 0.33 -0.11 0.00 -1.51 0.00 0.00 37.83 36.54 3ab4 s LYS 275 CO -0.04 -0.11 0.96 -2.30 -0.36 0.00 0.00 175.35 173.50 3ab4 n PRO 276 N 3.10 1.26 0.00 4.03 -0.02 -1.26 -2.70 135.00 139.41 3ab4 n PRO 276 Ca -0.16 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 3ab4 n PRO 276 Cb 0.56 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 3ab4 n PRO 276 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ab4 n GLY 277 N 1.25 2.92 0.21 -1.23 0.00 -1.26 -4.92 105.19 102.16 3ab4 n GLY 277 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 3ab4 n GLY 277 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ab4 h GLU 278 N 2.55 0.62 -0.71 1.61 4.39 -1.83 -2.16 114.58 119.05 3ab4 h GLU 278 Ca 0.00 -0.43 -0.03 0.00 0.34 0.00 0.00 59.36 59.24 3ab4 h GLU 278 Cb 0.00 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.68 3ab4 h GLU 278 CO 0.00 1.05 0.34 0.00 -1.16 0.00 0.00 179.01 179.24 3ab4 h ALA 279 N 0.85 0.91 -0.56 3.43 0.00 -1.91 -2.91 119.26 119.08 3ab4 h ALA 279 Ca -0.01 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.78 3ab4 h ALA 279 Cb 1.20 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 3ab4 h ALA 279 CO 0.12 0.47 0.37 0.00 0.00 0.00 0.00 179.25 180.21 3ab4 h ALA 280 N 1.16 1.68 -0.32 0.00 0.00 -1.89 -2.09 119.26 117.80 3ab4 h ALA 280 Ca 0.24 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3ab4 h ALA 280 Cb 0.12 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3ab4 h ALA 280 CO -0.03 0.28 0.16 0.87 0.00 0.00 0.00 179.25 180.53 3ab4 h LYS 281 N 0.68 0.45 0.00 0.00 1.57 -1.19 -1.28 116.57 116.80 3ab4 h LYS 281 Ca 0.22 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3ab4 h LYS 281 Cb 0.02 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 3ab4 h LYS 281 CO -0.05 0.40 -0.02 0.28 -0.57 0.00 0.00 179.45 179.48 3ab4 h VAL 282 N 0.38 0.95 0.00 0.50 2.07 -1.36 -2.86 116.25 115.94 3ab4 h VAL 282 Ca 0.11 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.54 3ab4 h VAL 282 Cb 0.09 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 3ab4 h VAL 282 CO -0.02 0.00 -0.87 -0.26 0.02 0.00 0.00 177.57 176.44 3ab4 h PHE 283 N -0.04 0.00 -0.23 1.57 0.04 -1.40 -2.28 116.94 114.60 3ab4 h PHE 283 Ca 0.01 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.75 3ab4 h PHE 283 Cb 0.04 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 3ab4 h PHE 283 CO -0.09 0.36 0.03 -0.09 -0.60 0.00 0.00 178.31 177.92 3ab4 h ARG 284 N 0.00 0.38 -0.59 1.51 9.65 -1.32 0.33 114.38 124.34 3ab4 h ARG 284 Ca -0.06 -0.10 0.11 0.00 -1.10 0.00 0.00 59.98 58.83 3ab4 h ARG 284 Cb 1.33 -0.04 -0.09 0.00 -1.39 0.00 0.00 29.97 29.78 3ab4 h ARG 284 CO 0.04 0.53 0.11 0.00 2.80 0.00 0.00 179.97 183.44 3ab4 h ALA 285 N 0.84 0.68 -0.36 2.80 0.00 -1.38 -0.57 119.26 121.27 3ab4 h ALA 285 Ca 0.07 0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.98 3ab4 h ALA 285 Cb 0.33 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3ab4 h ALA 285 CO 0.01 -0.32 -0.31 -0.07 0.00 0.00 0.00 179.25 178.55 3ab4 h LEU 286 N 0.23 0.89 -0.64 0.00 3.38 -1.27 -2.83 115.31 115.07 3ab4 h LEU 286 Ca 0.31 -0.46 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 3ab4 h LEU 286 Cb 0.46 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3ab4 h LEU 286 CO -0.41 1.16 0.26 0.00 0.09 0.00 0.00 178.44 179.54 3ab4 h ALA 287 N 0.76 0.83 -0.70 1.53 0.00 0.15 -1.04 119.26 120.79 3ab4 h ALA 287 Ca 0.06 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 3ab4 h ALA 287 Cb 0.89 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3ab4 h ALA 287 CO 0.08 0.45 0.29 -0.44 0.00 0.00 0.00 179.25 179.63 3ab4 h ASP 288 N 0.90 0.96 0.05 0.00 3.32 -1.14 -2.25 116.42 118.26 3ab4 h ASP 288 Ca 0.21 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3ab4 h ASP 288 Cb 0.20 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.51 3ab4 h ASP 288 CO -0.02 0.86 0.00 0.00 -1.72 0.00 0.00 179.24 178.36 3ab4 n ALA 289 N -2.40 2.24 -3.41 3.45 0.00 -1.07 -4.88 120.51 114.45 3ab4 n ALA 289 Ca 0.05 -0.12 -0.19 0.00 0.00 0.00 0.00 53.44 53.17 3ab4 n ALA 289 Cb 0.17 -1.34 0.07 0.00 0.00 0.00 0.00 19.45 18.36 3ab4 n ALA 289 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3ab4 n GLU 290 N -1.04 -6.69 -2.95 0.00 4.07 -0.85 -4.96 120.64 108.22 3ab4 n GLU 290 Ca 0.15 0.73 -0.42 0.00 -0.06 0.00 0.00 57.16 57.55 3ab4 n GLU 290 Cb 0.08 -5.45 -0.05 0.00 -0.06 0.00 0.00 31.44 25.96 3ab4 n GLU 290 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 3ab4 s ILE 291 N -3.29 4.71 0.31 6.31 -1.09 -0.44 -5.01 121.20 122.69 3ab4 s ILE 291 Ca 0.39 0.81 -0.29 0.00 -2.23 0.00 0.00 60.65 59.33 3ab4 s ILE 291 Cb -0.17 -4.24 -0.10 0.00 -1.58 0.00 0.00 42.46 36.37 3ab4 s ILE 291 CO 0.64 -0.50 1.42 0.20 -1.23 0.00 0.00 174.94 175.47 3ab4 s ASN 292 N 1.91 6.59 -0.29 3.58 -0.87 -1.26 -4.71 114.94 119.89 3ab4 s ASN 292 Ca 0.31 2.79 0.02 0.00 -1.57 0.00 0.00 52.86 54.42 3ab4 s ASN 292 Cb -0.13 -2.64 0.08 0.00 -0.02 0.00 0.00 41.25 38.54 3ab4 s ASN 292 CO 0.18 -0.71 -0.01 -0.63 -2.57 0.00 0.00 177.10 173.36 3ab4 s ILE 293 N -0.61 1.86 -0.07 0.60 1.01 -1.26 -4.31 121.20 118.43 3ab4 s ILE 293 Ca 0.55 -1.74 -0.22 0.00 0.00 0.00 0.00 60.65 59.24 3ab4 s ILE 293 Cb -0.43 -2.21 -0.17 0.00 0.01 0.00 0.00 42.46 39.66 3ab4 s ILE 293 CO 0.51 -0.33 0.86 -0.78 0.00 0.00 0.00 174.94 175.21 3ab4 h ASP 294 N 7.81 -0.11 -5.00 3.58 -0.00 -0.92 -3.48 116.42 118.30 3ab4 h ASP 294 Ca -0.13 -0.48 -0.12 0.00 -0.00 0.00 0.00 57.03 56.30 3ab4 h ASP 294 Cb 1.04 0.03 -0.20 0.00 -0.00 0.00 0.00 39.33 40.20 3ab4 h ASP 294 CO 0.47 0.52 -0.32 -0.32 -0.00 0.00 0.00 179.24 179.58 3ab4 s MET 295 N -3.21 0.65 -0.07 0.28 0.00 -1.22 -4.97 119.30 110.77 3ab4 s MET 295 Ca -0.14 -0.30 -0.03 0.00 0.00 0.00 0.00 55.69 55.22 3ab4 s MET 295 Cb -0.00 0.28 0.04 0.00 0.00 0.00 0.00 34.83 35.15 3ab4 s MET 295 CO 0.52 -0.18 0.16 0.54 0.00 0.00 0.00 175.02 176.06 3ab4 s VAL 296 N -1.58 -0.04 -0.06 10.11 0.11 -1.26 -0.89 120.40 126.79 3ab4 s VAL 296 Ca -0.12 0.15 0.05 0.00 -2.93 0.00 0.00 61.98 59.12 3ab4 s VAL 296 Cb -0.05 -0.25 -0.00 0.00 -1.53 0.00 0.00 36.38 34.55 3ab4 s VAL 296 CO 0.02 0.06 -0.20 -0.76 -3.33 0.00 0.00 175.10 170.89 3ab4 s LEU 297 N 1.00 1.97 -0.01 2.54 2.01 0.87 -4.98 118.68 122.08 3ab4 s LEU 297 Ca -0.08 -0.43 -0.00 0.00 0.01 0.00 0.00 54.13 53.63 3ab4 s LEU 297 Cb -0.10 -1.15 0.01 0.00 0.01 0.00 0.00 46.19 44.96 3ab4 s LEU 297 CO -0.05 0.18 0.02 -1.58 1.01 0.00 0.00 176.35 175.92 3ab4 s GLN 298 N 0.04 -0.01 0.44 1.70 0.74 -1.26 -1.24 119.66 120.08 3ab4 s GLN 298 Ca -0.06 0.07 0.05 0.00 0.05 0.00 0.00 55.36 55.47 3ab4 s GLN 298 Cb -0.13 -0.08 -0.06 0.00 1.10 0.00 0.00 33.01 33.84 3ab4 s GLN 298 CO 0.04 -0.05 0.03 1.21 -0.55 0.00 0.00 175.29 175.96 3ab4 s ASN 299 N 0.35 4.01 0.00 6.67 3.84 -1.26 -5.10 114.94 123.45 3ab4 s ASN 299 Ca -0.03 -1.43 0.00 0.00 0.21 0.00 0.00 52.86 51.62 3ab4 s ASN 299 Cb -0.04 -0.12 0.00 0.00 -0.55 0.00 0.00 41.25 40.54 3ab4 s ASN 299 CO -0.01 -0.59 0.00 1.33 -2.79 0.00 0.00 177.10 175.04 3ab4 n VAL 300 N -1.09 0.00 -0.12 -5.21 0.24 -1.26 -4.78 118.33 106.10 3ab4 n VAL 300 Ca -0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 3ab4 n VAL 300 Cb 0.67 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.04 3ab4 n VAL 300 CO 0.00 0.00 0.00 2.22 -2.14 0.00 0.00 176.83 176.91 3ab4 n PHE 301 N -1.87 0.00 -1.58 6.34 -1.74 -1.26 -5.26 117.46 112.10 3ab4 n PHE 301 Ca 0.00 0.00 -0.36 0.00 -0.56 0.00 0.00 57.45 56.53 3ab4 n PHE 301 Cb 0.00 0.00 0.06 0.00 1.52 0.00 0.00 39.48 41.06 3ab4 n PHE 301 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 3ab4 n GLY 306 N 0.36 5.77 3.63 4.97 0.00 -1.26 -5.28 105.19 113.38 3ab4 n GLY 306 Ca 0.00 -2.39 -0.29 0.00 0.00 0.00 0.00 46.02 43.34 3ab4 n GLY 306 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ab4 s THR 307 N -4.92 0.68 0.35 2.61 -4.23 -1.26 -2.69 115.64 106.17 3ab4 s THR 307 Ca 0.60 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 59.01 3ab4 s THR 307 Cb 0.48 -2.17 0.02 0.00 1.34 0.00 0.00 72.50 72.18 3ab4 s THR 307 CO -0.15 0.00 0.62 0.28 -0.54 0.00 0.00 174.62 174.83 3ab4 s THR 308 N -3.07 0.00 0.09 3.99 -1.32 0.22 -4.81 115.64 110.75 3ab4 s THR 308 Ca 0.13 -1.30 0.08 0.00 -1.21 0.00 0.00 61.69 59.40 3ab4 s THR 308 Cb 0.01 -2.66 -0.04 0.00 -1.51 0.00 0.00 72.50 68.30 3ab4 s THR 308 CO 0.09 0.00 -0.19 -1.81 -2.21 0.00 0.00 174.62 170.51 3ab4 s ASP 309 N -3.13 3.82 -0.11 8.08 1.11 -1.26 0.05 116.67 125.23 3ab4 s ASP 309 Ca 0.22 -0.52 0.02 0.00 0.18 0.00 0.00 52.55 52.45 3ab4 s ASP 309 Cb -0.03 -0.55 0.01 0.00 1.07 0.00 0.00 42.92 43.43 3ab4 s ASP 309 CO 0.15 0.21 -0.15 -0.63 1.18 0.00 0.00 175.17 175.92 3ab4 s ILE 310 N -1.06 1.46 0.04 0.77 1.01 -0.02 -4.25 121.20 119.14 3ab4 s ILE 310 Ca 0.17 -0.62 0.05 0.00 0.00 0.00 0.00 60.65 60.24 3ab4 s ILE 310 Cb -0.11 -1.34 -0.04 0.00 0.01 0.00 0.00 42.46 40.99 3ab4 s ILE 310 CO 0.08 0.43 -0.09 -0.89 0.00 0.00 0.00 174.94 174.48 3ab4 s THR 311 N 1.00 3.45 0.04 2.92 2.01 -0.37 -0.73 115.64 123.96 3ab4 s THR 311 Ca -0.06 -0.97 -0.17 0.00 0.31 0.00 0.00 61.69 60.80 3ab4 s THR 311 Cb -0.15 -2.53 0.03 0.00 0.01 0.00 0.00 72.50 69.86 3ab4 s THR 311 CO -0.02 0.31 0.37 0.72 -0.69 0.00 0.00 174.62 175.31 3ab4 s PHE 312 N -1.05 -0.21 -0.07 4.92 -0.12 -0.70 -0.09 117.98 120.66 3ab4 s PHE 312 Ca 0.18 0.16 -0.01 0.00 -0.05 0.00 0.00 56.93 57.21 3ab4 s PHE 312 Cb -0.11 0.17 -0.03 0.00 -0.63 0.00 0.00 43.02 42.42 3ab4 s PHE 312 CO 0.09 -0.53 -0.02 0.95 -0.05 0.00 0.00 175.22 175.66 3ab4 s THR 313 N -2.39 4.11 0.19 -4.49 -4.23 -0.07 -1.14 115.64 107.62 3ab4 s THR 313 Ca -0.06 -0.37 0.03 0.00 -1.18 0.00 0.00 61.69 60.11 3ab4 s THR 313 Cb -0.01 -2.73 -0.05 0.00 1.34 0.00 0.00 72.50 71.05 3ab4 s THR 313 CO -0.02 0.57 -0.01 0.00 -0.54 0.00 0.00 174.62 174.62 3ab4 n PRO 315 N -0.30 0.77 0.27 0.00 -0.02 -1.26 0.17 135.00 134.62 3ab4 n PRO 315 Ca -0.06 0.31 0.13 0.00 -2.02 0.00 0.00 63.50 61.86 3ab4 n PRO 315 Cb 0.63 -2.18 0.74 0.00 -0.02 0.00 0.00 33.50 32.68 3ab4 n PRO 315 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ab4 h ARG 316 N 0.24 0.00 0.00 -0.52 3.08 -1.66 -0.98 114.38 114.55 3ab4 h ARG 316 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 3ab4 h ARG 316 Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.41 3ab4 h ARG 316 CO 0.49 0.11 0.00 0.66 -1.07 0.00 0.00 179.97 180.16 3ab4 h SER 317 N 0.00 0.00 0.00 7.04 4.64 -1.89 -3.11 113.55 120.22 3ab4 h SER 317 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ab4 h SER 317 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3ab4 h SER 317 CO 0.01 0.00 -1.42 0.47 -0.87 0.00 0.00 176.83 175.03 3ab4 n ASP 318 N -2.98 0.62 -0.34 4.97 8.00 -0.40 -4.66 116.55 121.76 3ab4 n ASP 318 Ca -0.00 -0.52 0.02 0.00 0.71 0.00 0.00 54.79 55.00 3ab4 n ASP 318 Cb 0.24 1.44 0.19 0.00 -0.02 0.00 0.00 41.12 42.97 3ab4 n ASP 318 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3ab4 h GLY 319 N 4.32 1.43 0.65 0.44 0.00 -1.42 0.17 103.07 108.66 3ab4 h GLY 319 Ca 0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 3ab4 h GLY 319 CO 0.00 0.36 -0.01 0.07 0.00 0.00 0.00 176.54 176.95 3ab4 h ARG 320 N 1.15 0.08 -0.58 4.80 0.11 -1.83 -1.80 114.38 116.32 3ab4 h ARG 320 Ca 0.40 -0.03 0.03 0.00 0.10 0.00 0.00 59.98 60.48 3ab4 h ARG 320 Cb 0.12 -0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.15 3ab4 h ARG 320 CO -0.15 0.44 0.35 -0.09 0.10 0.00 0.00 179.97 180.62 3ab4 h ARG 321 N -0.29 0.66 -0.21 0.08 2.43 -1.82 -1.29 114.38 113.94 3ab4 h ARG 321 Ca 0.01 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.20 3ab4 h ARG 321 Cb 0.42 -0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 29.75 3ab4 h ARG 321 CO 0.00 0.44 -0.31 0.00 -1.51 0.00 0.00 179.97 178.59 3ab4 h ALA 322 N 1.26 -0.30 -0.55 2.80 0.00 -0.47 -1.23 119.26 120.77 3ab4 h ALA 322 Ca 0.24 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 3ab4 h ALA 322 Cb 0.04 0.62 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3ab4 h ALA 322 CO -0.11 -0.76 0.22 1.98 0.00 0.00 0.00 179.25 180.58 3ab4 h MET 323 N -0.34 0.82 0.03 0.00 1.85 -1.16 -2.16 114.93 113.96 3ab4 h MET 323 Ca 0.12 -0.15 0.02 0.00 -0.61 0.00 0.00 59.70 59.08 3ab4 h MET 323 Cb 0.53 -0.13 -0.03 0.00 0.43 0.00 0.00 31.60 32.40 3ab4 h MET 323 CO -0.40 0.72 -0.15 0.93 -0.40 0.00 0.00 176.91 177.61 3ab4 h GLU 324 N 0.75 -0.25 0.06 0.39 5.08 -0.79 0.21 114.58 120.03 3ab4 h GLU 324 Ca 0.18 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.59 3ab4 h GLU 324 Cb 0.21 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 3ab4 h GLU 324 CO -0.01 -0.17 -0.34 0.82 -1.00 0.00 0.00 179.01 178.31 3ab4 h ILE 325 N -0.26 0.28 -0.73 3.13 5.03 -1.13 0.11 117.51 123.94 3ab4 h ILE 325 Ca 0.04 0.00 -0.07 0.00 -0.12 0.00 0.00 64.86 64.72 3ab4 h ILE 325 Cb 0.31 0.28 -0.03 0.00 -3.03 0.00 0.00 36.82 34.35 3ab4 h ILE 325 CO -0.13 0.00 0.20 -0.07 -0.68 0.00 0.00 178.15 177.47 3ab4 h LEU 326 N -0.53 1.09 -0.56 1.44 4.07 -1.19 -0.56 115.31 119.07 3ab4 h LEU 326 Ca 0.04 -0.22 -0.05 0.00 0.08 0.00 0.00 57.88 57.73 3ab4 h LEU 326 Cb 0.59 -0.29 -0.02 0.00 1.08 0.00 0.00 40.66 42.02 3ab4 h LEU 326 CO -0.24 1.03 0.16 0.11 -1.08 0.00 0.00 178.44 178.42 3ab4 h LYS 327 N 1.10 0.89 0.00 1.13 1.79 -0.36 0.20 116.57 121.32 3ab4 h LYS 327 Ca 0.23 -0.20 -0.02 0.00 -2.18 0.00 0.00 60.65 58.48 3ab4 h LYS 327 Cb 0.35 -0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 30.87 3ab4 h LYS 327 CO -0.00 0.82 -0.08 -0.22 -1.08 0.00 0.00 179.45 178.89 3ab4 h LYS 328 N 0.80 0.00 0.00 3.15 1.63 -0.43 -1.36 116.57 120.36 3ab4 h LYS 328 Ca 0.18 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.98 3ab4 h LYS 328 Cb 0.32 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.95 3ab4 h LYS 328 CO -0.00 0.08 -0.53 -0.11 -3.45 0.00 0.00 179.45 175.44 3ab4 n LEU 329 N -4.31 0.67 -0.02 5.20 7.94 -0.25 -4.25 117.00 121.99 3ab4 n LEU 329 Ca -0.03 0.25 -0.16 0.00 -1.11 0.00 0.00 56.01 54.97 3ab4 n LEU 329 Cb 0.16 -0.21 -0.12 0.00 0.53 0.00 0.00 43.42 43.77 3ab4 n LEU 329 CO 0.34 -0.05 0.31 -0.61 -1.11 0.00 0.00 177.39 176.27 3ab4 h GLN 330 N 0.00 0.19 -0.68 1.96 4.15 0.54 -3.22 115.11 118.06 3ab4 h GLN 330 Ca 0.00 -0.24 0.20 0.00 0.77 0.00 0.00 58.65 59.38 3ab4 h GLN 330 Cb 0.71 0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.45 3ab4 h GLN 330 CO 0.00 1.02 0.75 -0.39 -1.93 0.00 0.00 178.83 178.28 3ab4 h VAL 331 N -0.53 0.22 -0.88 2.39 -1.51 -1.69 0.62 116.25 114.87 3ab4 h VAL 331 Ca -0.05 0.00 -0.49 0.00 -1.23 0.00 0.00 66.70 64.93 3ab4 h VAL 331 Cb 1.16 0.40 -0.27 0.00 -2.13 0.00 0.00 31.29 30.45 3ab4 h VAL 331 CO 0.07 0.00 0.62 0.00 -1.23 0.00 0.00 177.57 177.03 3ab4 n GLN 332 N -3.54 2.19 0.00 5.19 6.02 -1.21 -4.93 117.38 121.10 3ab4 n GLN 332 Ca 0.14 -2.70 0.00 0.00 -0.01 0.00 0.00 57.00 54.43 3ab4 n GLN 332 Cb 0.99 -2.06 0.00 0.00 1.02 0.00 0.00 30.24 30.19 3ab4 n GLN 332 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ab4 n GLY 333 N -0.87 2.96 0.42 1.08 0.00 0.21 -4.87 105.19 104.13 3ab4 n GLY 333 Ca 0.53 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.78 3ab4 n GLY 333 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3ab4 h ASN 334 N 0.00 0.00 -5.60 1.61 -0.26 -1.70 -3.45 115.58 106.18 3ab4 h ASN 334 Ca 0.00 0.00 0.26 0.00 -0.56 0.00 0.00 56.30 56.00 3ab4 h ASN 334 Cb 0.00 0.00 -0.08 0.00 -1.06 0.00 0.00 38.32 37.18 3ab4 h ASN 334 CO 0.00 0.00 0.71 -1.66 -1.06 0.00 0.00 177.43 175.42 3ab4 s TRP 335 N -4.65 -0.02 -0.19 1.19 -2.14 -1.26 -4.69 118.94 107.17 3ab4 s TRP 335 Ca -0.04 -0.21 0.09 0.00 2.66 0.00 0.00 56.10 58.60 3ab4 s TRP 335 Cb 0.16 0.61 -0.22 0.00 -3.10 0.00 0.00 33.47 30.92 3ab4 s TRP 335 CO 0.58 -0.56 0.07 0.25 -2.66 0.00 0.00 176.95 174.62 3ab4 n THR 336 N -0.62 1.50 -3.79 0.66 -2.24 -1.05 -4.76 114.28 103.98 3ab4 n THR 336 Ca -0.04 -0.72 -0.09 0.00 -2.27 0.00 0.00 64.05 60.93 3ab4 n THR 336 Cb 0.61 -1.04 -0.03 0.00 -2.10 0.00 0.00 70.33 67.77 3ab4 n THR 336 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3ab4 s ASN 337 N -6.13 -0.25 -0.14 3.42 2.47 -1.11 -5.04 114.94 108.16 3ab4 s ASN 337 Ca -0.20 -0.55 -0.06 0.00 0.42 0.00 0.00 52.86 52.46 3ab4 s ASN 337 Cb 0.07 0.62 0.06 0.00 -1.45 0.00 0.00 41.25 40.55 3ab4 s ASN 337 CO 0.74 -1.13 0.32 0.54 -3.72 0.00 0.00 177.10 173.84 3ab4 s VAL 338 N -3.90 -0.22 0.21 -5.21 0.11 -1.26 -1.95 120.40 108.18 3ab4 s VAL 338 Ca 0.11 0.17 0.06 0.00 -2.93 0.00 0.00 61.98 59.40 3ab4 s VAL 338 Cb -0.02 -0.50 -0.04 0.00 -1.53 0.00 0.00 36.38 34.29 3ab4 s VAL 338 CO 0.01 0.07 0.14 -0.76 -3.33 0.00 0.00 175.10 171.22 3ab4 s LEU 339 N 1.78 3.72 -0.05 2.54 1.43 0.71 -4.92 118.68 123.88 3ab4 s LEU 339 Ca -0.06 -0.24 -0.03 0.00 -1.03 0.00 0.00 54.13 52.77 3ab4 s LEU 339 Cb -0.10 -2.29 0.02 0.00 0.03 0.00 0.00 46.19 43.85 3ab4 s LEU 339 CO -0.10 0.03 0.12 -0.47 0.23 0.00 0.00 176.35 176.15 3ab4 s TYR 340 N -1.93 -0.13 -0.18 0.29 5.04 -1.26 -1.25 117.35 117.93 3ab4 s TYR 340 Ca 0.31 0.37 -0.04 0.00 -2.44 0.00 0.00 57.07 55.27 3ab4 s TYR 340 Cb -0.09 -0.03 0.07 0.00 0.35 0.00 0.00 41.96 42.26 3ab4 s TYR 340 CO 0.23 -0.11 0.15 0.34 -1.34 0.00 0.00 175.55 174.82 3ab4 s ASP 341 N 0.64 1.80 -0.27 4.32 3.68 0.39 -5.01 116.67 122.22 3ab4 s ASP 341 Ca -0.05 -0.37 0.10 0.00 2.13 0.00 0.00 52.55 54.36 3ab4 s ASP 341 Cb -0.07 0.07 0.51 0.00 -1.45 0.00 0.00 42.92 41.98 3ab4 s ASP 341 CO -0.03 -0.33 1.46 -0.90 0.13 0.00 0.00 175.17 175.50 3ab4 n ASP 342 N 5.30 2.75 -1.00 -0.34 5.75 -1.26 0.04 116.55 127.78 3ab4 n ASP 342 Ca -0.06 -3.62 0.05 0.00 -0.01 0.00 0.00 54.79 51.15 3ab4 n ASP 342 Cb 0.49 -0.62 0.11 0.00 -1.03 0.00 0.00 41.12 40.07 3ab4 n ASP 342 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ab4 n GLN 343 N -1.02 0.75 -3.41 0.11 6.02 -1.26 -4.92 117.38 113.65 3ab4 n GLN 343 Ca 0.31 -2.56 -0.33 0.00 -0.01 0.00 0.00 57.00 54.41 3ab4 n GLN 343 Cb 1.01 -0.80 -0.05 0.00 1.02 0.00 0.00 30.24 31.41 3ab4 n GLN 343 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3ab4 s VAL 344 N -1.55 4.92 0.01 5.09 -7.23 -1.26 -2.02 120.40 118.36 3ab4 s VAL 344 Ca 0.34 0.59 0.08 0.00 -1.81 0.00 0.00 61.98 61.18 3ab4 s VAL 344 Cb 0.36 -3.66 -0.03 0.00 0.56 0.00 0.00 36.38 33.61 3ab4 s VAL 344 CO -0.11 0.08 -0.24 -0.83 -0.31 0.00 0.00 175.10 173.69 3ab4 s GLY 345 N -2.06 1.38 -0.23 2.32 0.00 0.35 -4.57 107.32 104.50 3ab4 s GLY 345 Ca 0.42 -1.17 -0.08 0.00 0.00 0.00 0.00 44.72 43.89 3ab4 s GLY 345 CO 0.20 -1.01 0.10 1.25 0.00 0.00 0.00 173.10 173.64 3ab4 s LYS 346 N -0.94 3.85 -0.04 2.90 2.20 0.11 -1.33 119.74 126.50 3ab4 s LYS 346 Ca 0.11 -0.39 0.05 0.00 -0.36 0.00 0.00 55.97 55.39 3ab4 s LYS 346 Cb -0.10 -3.37 -0.01 0.00 -1.51 0.00 0.00 37.83 32.84 3ab4 s LYS 346 CO 0.01 -0.01 -0.19 0.54 -0.36 0.00 0.00 175.35 175.34 3ab4 s VAL 347 N 1.18 1.56 0.07 4.02 0.11 -0.82 0.36 120.40 126.88 3ab4 s VAL 347 Ca 0.05 -0.81 -0.00 0.00 -2.93 0.00 0.00 61.98 58.30 3ab4 s VAL 347 Cb -0.14 -1.33 -0.04 0.00 -1.53 0.00 0.00 36.38 33.34 3ab4 s VAL 347 CO 0.04 0.44 -0.04 -0.44 -3.33 0.00 0.00 175.10 171.78 3ab4 s SER 348 N -0.14 0.71 -0.08 3.54 0.01 -0.10 -0.98 113.70 116.67 3ab4 s SER 348 Ca -0.01 -1.02 0.02 0.00 1.31 0.00 0.00 55.95 56.26 3ab4 s SER 348 Cb -0.11 0.17 0.01 0.00 0.21 0.00 0.00 66.02 66.30 3ab4 s SER 348 CO 0.02 -0.56 -0.15 -0.22 0.41 0.00 0.00 173.24 172.73 3ab4 s LEU 349 N -2.97 1.74 0.04 2.44 2.96 -0.06 -1.36 118.68 121.48 3ab4 s LEU 349 Ca 0.10 -0.38 0.06 0.00 -0.22 0.00 0.00 54.13 53.69 3ab4 s LEU 349 Cb 0.07 -0.99 -0.03 0.00 0.50 0.00 0.00 46.19 45.73 3ab4 s LEU 349 CO -0.07 0.06 -0.13 0.54 -1.32 0.00 0.00 176.35 175.42 3ab4 s VAL 350 N 0.66 3.19 0.00 1.68 0.11 -0.12 -1.93 120.40 123.99 3ab4 s VAL 350 Ca -0.14 -1.07 0.00 0.00 -2.93 0.00 0.00 61.98 57.84 3ab4 s VAL 350 Cb -0.16 -2.39 0.00 0.00 -1.53 0.00 0.00 36.38 32.30 3ab4 s VAL 350 CO 0.04 0.31 0.00 0.61 -3.33 0.00 0.00 175.10 172.73 3ab4 n GLY 351 N 1.38 1.42 0.37 6.54 0.00 -0.10 -1.59 105.19 113.21 3ab4 n GLY 351 Ca -0.15 0.43 0.19 0.00 0.00 0.00 0.00 46.02 46.49 3ab4 n GLY 351 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ab4 h ALA 352 N 0.00 2.31 -0.23 4.61 0.00 -1.81 -1.86 119.26 122.28 3ab4 h ALA 352 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3ab4 h ALA 352 Cb 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3ab4 h ALA 352 CO 0.00 -0.57 0.15 0.78 0.00 0.00 0.00 179.25 179.62 3ab4 h GLY 353 N 0.00 0.26 2.00 0.00 0.00 -1.57 -2.44 103.07 101.32 3ab4 h GLY 353 Ca 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.44 3ab4 h GLY 353 CO -0.00 0.09 0.00 0.00 0.00 0.00 0.00 176.54 176.62 3ab4 h MET 354 N 0.24 0.00 -0.12 4.80 3.00 -1.60 -3.26 114.93 118.00 3ab4 h MET 354 Ca 0.09 0.00 -0.07 0.00 0.00 0.00 0.00 59.70 59.72 3ab4 h MET 354 Cb 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 31.60 31.66 3ab4 h MET 354 CO -0.02 0.00 -0.25 1.57 0.00 0.00 0.00 176.91 178.21 3ab4 h LYS 355 N 0.00 0.21 -0.00 -0.10 2.10 -1.57 -3.08 116.57 114.13 3ab4 h LYS 355 Ca 0.00 -0.07 -0.00 0.00 -2.00 0.00 0.00 60.65 58.58 3ab4 h LYS 355 Cb 0.50 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 31.82 3ab4 h LYS 355 CO 0.00 0.45 -0.02 0.43 -2.00 0.00 0.00 179.45 178.32 3ab4 n SER 356 N -4.17 2.34 -4.03 7.07 7.64 -1.24 -4.97 113.62 116.26 3ab4 n SER 356 Ca -0.01 -3.12 -0.31 0.00 1.01 0.00 0.00 58.87 56.44 3ab4 n SER 356 Cb 0.35 -0.43 -0.15 0.00 -1.01 0.00 0.00 64.21 62.97 3ab4 n SER 356 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3ab4 s HIS 357 N -2.89 3.17 0.50 1.43 3.76 -1.16 -5.04 115.29 115.05 3ab4 s HIS 357 Ca 0.32 -2.34 0.28 0.00 -0.15 0.00 0.00 55.06 53.16 3ab4 s HIS 357 Cb 0.28 -2.06 1.36 0.00 1.11 0.00 0.00 32.58 33.28 3ab4 s HIS 357 CO 0.03 -0.87 1.87 -1.35 -0.85 0.00 0.00 174.74 173.56 3ab4 h PRO 358 N 7.78 0.13 -0.31 8.40 0.11 -1.93 -3.28 132.00 142.89 3ab4 h PRO 358 Ca -0.16 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.95 3ab4 h PRO 358 Cb 1.04 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3ab4 h PRO 358 CO 0.46 0.08 0.00 0.41 -0.21 0.00 0.00 178.00 178.75 3ab4 n GLY 359 N -1.65 1.14 0.08 -0.55 0.00 -1.26 -4.60 105.19 98.35 3ab4 n GLY 359 Ca 0.20 -0.60 -0.07 0.00 0.00 0.00 0.00 46.02 45.54 3ab4 n GLY 359 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3ab4 h VAL 360 N 3.51 1.65 -0.15 1.61 3.04 -1.93 -2.13 116.25 121.87 3ab4 h VAL 360 Ca 0.00 -3.19 -0.19 0.00 -1.01 0.00 0.00 66.70 62.31 3ab4 h VAL 360 Cb 0.77 2.75 -0.00 0.00 -2.01 0.00 0.00 31.29 32.80 3ab4 h VAL 360 CO 0.00 0.91 -0.67 0.00 -1.01 0.00 0.00 177.57 176.81 3ab4 h THR 361 N 0.01 1.33 0.01 3.17 1.03 -1.88 -1.51 112.91 115.07 3ab4 h THR 361 Ca -0.02 -1.95 0.03 0.00 -0.01 0.00 0.00 66.41 64.45 3ab4 h THR 361 Cb 1.69 1.93 -0.04 0.00 -1.07 0.00 0.00 68.15 70.66 3ab4 h THR 361 CO 0.13 0.61 -0.21 0.00 -0.01 0.00 0.00 175.52 176.04 3ab4 h ALA 362 N 0.84 -0.27 -0.91 0.00 0.00 -1.86 -0.70 119.26 116.36 3ab4 h ALA 362 Ca -0.02 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.00 3ab4 h ALA 362 Cb 1.25 0.36 -0.08 0.00 0.00 0.00 0.00 17.79 19.32 3ab4 h ALA 362 CO 0.13 -0.71 0.54 0.93 0.00 0.00 0.00 179.25 180.14 3ab4 h GLU 363 N -0.34 0.86 0.17 0.00 5.08 -1.32 0.81 114.58 119.84 3ab4 h GLU 363 Ca 0.06 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ab4 h GLU 363 Cb 0.41 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 3ab4 h GLU 363 CO -0.18 0.57 -0.11 0.35 -1.00 0.00 0.00 179.01 178.63 3ab4 h PHE 364 N 0.88 -0.29 -0.78 4.33 3.57 -0.83 -2.21 116.94 121.61 3ab4 h PHE 364 Ca 0.44 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.99 3ab4 h PHE 364 Cb 0.42 0.10 -0.05 0.00 2.79 0.00 0.00 35.95 39.21 3ab4 h PHE 364 CO -0.04 -0.18 0.48 0.52 -2.23 0.00 0.00 178.31 176.87 3ab4 h MET 365 N -0.28 0.88 -0.18 1.11 2.86 -0.36 -2.97 114.93 115.99 3ab4 h MET 365 Ca -0.01 -0.05 -0.16 0.00 -2.06 0.00 0.00 59.70 57.41 3ab4 h MET 365 Cb 0.24 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 3ab4 h MET 365 CO 0.01 0.59 -0.55 0.93 1.06 0.00 0.00 176.91 178.94 3ab4 h GLU 366 N 0.91 0.54 -0.37 1.72 5.08 -0.71 -0.59 114.58 121.16 3ab4 h GLU 366 Ca 0.33 -0.34 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 3ab4 h GLU 366 Cb 0.10 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 3ab4 h GLU 366 CO -0.15 0.95 0.16 0.00 -1.00 0.00 0.00 179.01 178.98 3ab4 h ALA 367 N 0.98 0.45 -0.34 3.43 0.00 -1.31 -0.98 119.26 121.49 3ab4 h ALA 367 Ca 0.01 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 3ab4 h ALA 367 Cb 1.09 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3ab4 h ALA 367 CO 0.10 -0.21 -0.36 -0.07 0.00 0.00 0.00 179.25 178.71 3ab4 h LEU 368 N 0.34 0.84 -1.09 0.00 4.07 -1.34 -2.39 115.31 115.74 3ab4 h LEU 368 Ca 0.16 -0.37 0.08 0.00 0.08 0.00 0.00 57.88 57.83 3ab4 h LEU 368 Cb 0.10 -0.23 -0.07 0.00 1.08 0.00 0.00 40.66 41.54 3ab4 h LEU 368 CO -0.13 1.11 0.61 -0.09 -1.08 0.00 0.00 178.44 178.86 3ab4 h ARG 369 N 0.66 1.02 0.00 1.13 2.43 -0.91 -2.58 114.38 116.13 3ab4 h ARG 369 Ca 0.06 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3ab4 h ARG 369 Cb 0.92 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 3ab4 h ARG 369 CO 0.08 0.67 0.00 -0.44 -1.51 0.00 0.00 179.97 178.78 3ab4 h ASP 370 N 1.05 0.00 -3.07 -3.80 3.32 -0.66 -3.39 116.42 109.87 3ab4 h ASP 370 Ca 0.42 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 57.02 3ab4 h ASP 370 Cb 0.27 0.00 0.07 0.00 0.22 0.00 0.00 39.33 39.89 3ab4 h ASP 370 CO -0.18 0.00 0.13 -0.69 -1.72 0.00 0.00 179.24 176.78 3ab4 s VAL 371 N -3.24 2.36 -0.33 -1.35 1.01 -1.09 -4.99 120.40 112.77 3ab4 s VAL 371 Ca 0.07 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 61.60 3ab4 s VAL 371 Cb 0.06 -2.92 0.24 0.00 0.00 0.00 0.00 36.38 33.76 3ab4 s VAL 371 CO 0.65 0.00 1.99 -3.20 0.00 0.00 0.00 175.10 174.54 3ab4 n ASN 372 N -2.77 6.35 -4.60 3.32 5.15 -1.26 -4.85 115.26 116.61 3ab4 n ASN 372 Ca 0.10 -3.09 -0.35 0.00 -0.60 0.00 0.00 54.58 50.63 3ab4 n ASN 372 Cb 0.60 -1.03 -0.10 0.00 -0.53 0.00 0.00 39.78 38.72 3ab4 n ASN 372 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3ab4 s VAL 373 N -2.40 4.85 -0.02 3.44 -7.23 -0.98 -5.06 120.40 113.00 3ab4 s VAL 373 Ca 0.33 -0.00 -0.17 0.00 -1.81 0.00 0.00 61.98 60.32 3ab4 s VAL 373 Cb 0.26 -3.23 -0.05 0.00 0.56 0.00 0.00 36.38 33.92 3ab4 s VAL 373 CO -0.00 0.40 0.48 0.21 -0.31 0.00 0.00 175.10 175.88 3ab4 s ASN 374 N 0.83 6.84 -0.29 4.85 2.47 -1.26 -4.28 114.94 124.09 3ab4 s ASN 374 Ca 0.05 0.99 -0.19 0.00 0.42 0.00 0.00 52.86 54.13 3ab4 s ASN 374 Cb -0.13 -2.29 -0.02 0.00 -1.45 0.00 0.00 41.25 37.36 3ab4 s ASN 374 CO 0.02 0.19 0.56 -0.63 -3.72 0.00 0.00 177.10 173.53 3ab4 s ILE 375 N -0.47 5.01 -0.16 -5.21 -1.09 -1.26 -4.67 121.20 113.35 3ab4 s ILE 375 Ca 0.26 0.80 -0.01 0.00 -2.23 0.00 0.00 60.65 59.47 3ab4 s ILE 375 Cb -0.17 -3.91 -0.23 0.00 -1.58 0.00 0.00 42.46 36.57 3ab4 s ILE 375 CO 0.14 -0.04 0.19 -0.62 -1.23 0.00 0.00 174.94 173.37 3ab4 n GLU 376 N 5.70 0.71 -3.87 2.79 1.02 -0.54 -4.97 120.64 121.49 3ab4 n GLU 376 Ca -0.03 0.22 -0.11 0.00 -0.02 0.00 0.00 57.16 57.21 3ab4 n GLU 376 Cb 0.49 -1.65 -0.11 0.00 -0.02 0.00 0.00 31.44 30.16 3ab4 n GLU 376 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3ab4 s LEU 377 N -6.74 1.60 -0.04 -4.62 1.02 -1.19 -4.97 118.68 103.74 3ab4 s LEU 377 Ca -0.25 -0.06 0.04 0.00 0.02 0.00 0.00 54.13 53.89 3ab4 s LEU 377 Cb 0.07 0.54 -0.00 0.00 0.02 0.00 0.00 46.19 46.82 3ab4 s LEU 377 CO 0.72 -0.24 -0.16 -0.63 0.02 0.00 0.00 176.35 176.05 3ab4 s ILE 378 N -0.85 1.38 0.07 -0.59 1.01 -1.26 -1.29 121.20 119.67 3ab4 s ILE 378 Ca -0.09 -0.69 0.02 0.00 0.00 0.00 0.00 60.65 59.89 3ab4 s ILE 378 Cb -0.05 -1.19 -0.03 0.00 0.01 0.00 0.00 42.46 41.19 3ab4 s ILE 378 CO 0.01 0.40 -0.07 -0.55 0.00 0.00 0.00 174.94 174.73 3ab4 s SER 379 N 0.07 0.96 0.03 3.58 0.15 -0.48 -5.02 113.70 112.99 3ab4 s SER 379 Ca -0.04 -0.75 -0.09 0.00 0.70 0.00 0.00 55.95 55.77 3ab4 s SER 379 Cb -0.11 0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.26 3ab4 s SER 379 CO 0.02 -0.32 0.19 0.42 1.20 0.00 0.00 173.24 174.75 3ab4 s THR 380 N -2.37 0.10 0.40 6.45 -4.23 -1.26 -0.69 115.64 114.04 3ab4 s THR 380 Ca -0.01 -0.81 0.01 0.00 -1.18 0.00 0.00 61.69 59.70 3ab4 s THR 380 Cb -0.03 -0.76 0.01 0.00 1.34 0.00 0.00 72.50 73.06 3ab4 s THR 380 CO -0.02 -0.45 0.12 -1.54 -0.54 0.00 0.00 174.62 172.19 3ab4 n SER 381 N 0.94 2.81 0.29 3.99 3.41 -0.79 -4.98 113.62 119.28 3ab4 n SER 381 Ca -0.20 -2.62 0.18 0.00 -0.26 0.00 0.00 58.87 55.97 3ab4 n SER 381 Cb 0.58 0.16 0.97 0.00 -0.26 0.00 0.00 64.21 65.65 3ab4 n SER 381 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3ab4 h GLU 382 N 0.00 0.00 0.00 4.33 4.81 -2.00 -2.81 114.58 118.91 3ab4 h GLU 382 Ca -0.30 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 3ab4 h GLU 382 Cb 0.98 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.36 3ab4 h GLU 382 CO 0.50 0.00 -0.02 -0.89 -0.73 0.00 0.00 179.01 177.87 3ab4 n ILE 383 N -3.53 0.66 -3.79 2.32 5.41 -1.26 -4.02 119.36 115.16 3ab4 n ILE 383 Ca -0.02 -0.68 -0.13 0.00 1.00 0.00 0.00 62.75 62.92 3ab4 n ILE 383 Cb 0.18 0.64 -0.14 0.00 -0.71 0.00 0.00 39.64 39.60 3ab4 n ILE 383 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 3ab4 s ARG 384 N -0.72 0.06 -0.13 0.38 3.52 -1.06 -0.92 118.95 120.08 3ab4 s ARG 384 Ca 0.02 0.22 -0.04 0.00 -0.13 0.00 0.00 55.73 55.80 3ab4 s ARG 384 Cb 0.01 -0.11 -0.03 0.00 -1.56 0.00 0.00 34.95 33.26 3ab4 s ARG 384 CO 0.00 -0.11 0.01 0.42 -0.81 0.00 0.00 175.30 174.81 3ab4 s ILE 385 N 0.71 4.35 0.07 4.11 1.01 -0.81 -1.89 121.20 128.75 3ab4 s ILE 385 Ca -0.06 -0.21 0.05 0.00 0.00 0.00 0.00 60.65 60.44 3ab4 s ILE 385 Cb -0.08 -2.88 -0.03 0.00 0.01 0.00 0.00 42.46 39.48 3ab4 s ILE 385 CO -0.03 0.55 -0.15 -0.44 0.00 0.00 0.00 174.94 174.87 3ab4 s SER 386 N -0.29 1.77 0.01 3.58 0.01 0.13 -0.88 113.70 118.03 3ab4 s SER 386 Ca 0.07 -0.61 -0.02 0.00 1.31 0.00 0.00 55.95 56.70 3ab4 s SER 386 Cb -0.12 -0.06 -0.01 0.00 0.21 0.00 0.00 66.02 66.03 3ab4 s SER 386 CO 0.02 -0.05 0.02 -0.69 0.41 0.00 0.00 173.24 172.95 3ab4 s VAL 387 N -1.23 0.07 -0.14 3.43 1.01 -0.15 -1.38 120.40 122.01 3ab4 s VAL 387 Ca -0.01 -0.61 -0.13 0.00 0.00 0.00 0.00 61.98 61.24 3ab4 s VAL 387 Cb -0.10 -0.24 -0.05 0.00 0.00 0.00 0.00 36.38 36.00 3ab4 s VAL 387 CO 0.02 -0.33 0.26 -0.76 0.00 0.00 0.00 175.10 174.29 3ab4 s LEU 388 N -1.02 4.28 0.00 3.92 1.43 -0.41 -1.95 118.68 124.92 3ab4 s LEU 388 Ca -0.11 0.51 0.03 0.00 -1.03 0.00 0.00 54.13 53.53 3ab4 s LEU 388 Cb -0.07 -2.32 -0.01 0.00 0.03 0.00 0.00 46.19 43.82 3ab4 s LEU 388 CO -0.00 0.17 0.13 2.30 0.23 0.00 0.00 176.35 179.18 3ab4 n ILE 389 N 3.18 0.00 -2.30 -0.59 -5.35 -0.44 -1.46 119.36 112.40 3ab4 n ILE 389 Ca -0.14 -1.30 -0.41 0.00 -0.27 0.00 0.00 62.75 60.63 3ab4 n ILE 389 Cb 0.52 0.59 -0.03 0.00 -1.74 0.00 0.00 39.64 38.98 3ab4 n ILE 389 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3ab4 s ARG 390 N -2.77 4.48 0.30 6.28 1.81 -1.26 -0.50 118.95 127.29 3ab4 s ARG 390 Ca 0.18 1.99 0.05 0.00 -1.72 0.00 0.00 55.73 56.23 3ab4 s ARG 390 Cb 0.01 -3.16 0.78 0.00 -0.45 0.00 0.00 34.95 32.13 3ab4 s ARG 390 CO 0.13 -0.04 1.66 1.49 -0.68 0.00 0.00 175.30 177.86 3ab4 h GLU 391 N 4.12 0.27 0.00 3.54 4.81 -1.65 -1.66 114.58 124.00 3ab4 h GLU 391 Ca -0.47 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 58.73 3ab4 h GLU 391 Cb 1.22 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.53 3ab4 h GLU 391 CO 0.69 0.18 -0.08 -0.44 -0.73 0.00 0.00 179.01 178.63 3ab4 h ASP 392 N 0.27 0.00 0.07 1.04 3.45 -1.92 -2.14 116.42 117.19 3ab4 h ASP 392 Ca 0.59 0.00 0.00 0.00 0.43 0.00 0.00 57.03 58.05 3ab4 h ASP 392 Cb 1.20 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.97 3ab4 h ASP 392 CO -0.62 0.08 -0.14 0.47 -1.57 0.00 0.00 179.24 177.46 3ab4 n ASP 393 N -4.03 1.60 -0.17 6.45 8.00 -0.64 -4.54 116.55 123.23 3ab4 n ASP 393 Ca -0.03 -1.36 -0.08 0.00 0.71 0.00 0.00 54.79 54.03 3ab4 n ASP 393 Cb 0.17 0.10 0.01 0.00 -0.02 0.00 0.00 41.12 41.37 3ab4 n ASP 393 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3ab4 h LEU 394 N 2.30 0.66 0.17 0.64 5.85 -1.26 -0.30 115.31 123.37 3ab4 h LEU 394 Ca 0.00 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 3ab4 h LEU 394 Cb 0.60 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.46 3ab4 h LEU 394 CO 0.00 0.63 -0.08 0.44 -0.34 0.00 0.00 178.44 179.09 3ab4 h ASP 395 N 0.65 -0.19 -0.77 1.25 3.45 -1.80 -0.98 116.42 118.03 3ab4 h ASP 395 Ca 0.16 -0.17 0.07 0.00 0.43 0.00 0.00 57.03 57.52 3ab4 h ASP 395 Cb 0.17 0.05 -0.06 0.00 -0.56 0.00 0.00 39.33 38.93 3ab4 h ASP 395 CO -0.02 0.06 0.45 0.00 -1.57 0.00 0.00 179.24 178.16 3ab4 h ALA 396 N 0.33 1.06 -0.92 3.45 0.00 -1.84 -1.63 119.26 119.71 3ab4 h ALA 396 Ca -0.02 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3ab4 h ALA 396 Cb 0.35 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 3ab4 h ALA 396 CO 0.04 0.13 0.59 0.00 0.00 0.00 0.00 179.25 180.02 3ab4 h ALA 397 N 1.39 1.16 -0.58 0.00 0.00 -0.91 -1.31 119.26 119.01 3ab4 h ALA 397 Ca 0.35 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 3ab4 h ALA 397 Cb 0.23 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3ab4 h ALA 397 CO -0.20 0.58 0.22 0.00 0.00 0.00 0.00 179.25 179.85 3ab4 h ALA 398 N 1.33 1.30 -0.03 0.00 0.00 -0.51 -2.29 119.26 119.06 3ab4 h ALA 398 Ca 0.33 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3ab4 h ALA 398 Cb -0.12 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.43 3ab4 h ALA 398 CO -0.07 0.52 -0.02 0.00 0.00 0.00 0.00 179.25 179.67 3ab4 h ARG 399 N 0.84 0.07 -0.27 0.00 -0.00 -0.76 -2.48 114.38 111.78 3ab4 h ARG 399 Ca 0.20 -0.03 0.05 0.00 -0.50 0.00 0.00 59.98 59.69 3ab4 h ARG 399 Cb 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 30.11 3ab4 h ARG 399 CO -0.02 0.52 -0.00 0.00 0.00 0.00 0.00 179.97 180.48 3ab4 h ALA 400 N 0.54 0.23 -0.69 0.04 0.00 -1.21 -1.74 119.26 116.44 3ab4 h ALA 400 Ca 0.00 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3ab4 h ALA 400 Cb 0.51 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 3ab4 h ALA 400 CO 0.01 -0.42 0.43 -0.07 0.00 0.00 0.00 179.25 179.20 3ab4 h LEU 401 N 0.08 0.70 -0.41 0.00 4.07 -1.46 0.95 115.31 119.23 3ab4 h LEU 401 Ca 0.13 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.06 3ab4 h LEU 401 Cb 0.17 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 41.74 3ab4 h LEU 401 CO -0.22 0.48 0.15 -0.74 -1.08 0.00 0.00 178.44 177.03 3ab4 h HIS 402 N 0.83 0.63 0.11 1.13 2.76 -0.97 -2.47 115.15 117.19 3ab4 h HIS 402 Ca 0.28 -0.05 -0.27 0.00 -2.20 0.00 0.00 60.37 58.13 3ab4 h HIS 402 Cb 0.03 -0.19 -0.00 0.00 1.55 0.00 0.00 27.41 28.81 3ab4 h HIS 402 CO -0.05 0.57 -1.21 1.05 -1.30 0.00 0.00 177.93 176.99 3ab4 h GLU 403 N 0.51 0.24 0.24 5.26 4.11 -1.17 -2.74 114.58 121.02 3ab4 h GLU 403 Ca 0.13 -0.40 0.00 0.00 0.07 0.00 0.00 59.36 59.17 3ab4 h GLU 403 Cb 0.22 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 3ab4 h GLU 403 CO -0.01 1.19 -0.51 0.37 0.07 0.00 0.00 179.01 180.13 3ab4 h GLN 404 N 0.06 -0.78 -7.48 1.06 5.75 -0.75 -3.38 115.11 109.59 3ab4 h GLN 404 Ca -0.12 0.05 -0.49 0.00 -0.15 0.00 0.00 58.65 57.95 3ab4 h GLN 404 Cb 1.95 0.18 0.09 0.00 1.07 0.00 0.00 27.48 30.76 3ab4 h GLN 404 CO 0.19 -0.52 0.40 -0.06 -2.65 0.00 0.00 178.83 176.20 3ab4 s PHE 405 N -5.69 3.21 -0.76 3.99 0.08 -0.94 -4.96 117.98 112.91 3ab4 s PHE 405 Ca -0.16 1.03 0.00 0.00 0.12 0.00 0.00 56.93 57.92 3ab4 s PHE 405 Cb 0.05 -3.12 0.36 0.00 -0.57 0.00 0.00 43.02 39.74 3ab4 s PHE 405 CO 0.58 -1.33 1.73 1.04 -0.10 0.00 0.00 175.22 177.15 3ab4 n GLN 406 N -3.10 3.28 -2.34 0.44 3.00 -1.26 -4.68 117.38 112.72 3ab4 n GLN 406 Ca 0.07 -3.97 -0.38 0.00 -0.01 0.00 0.00 57.00 52.71 3ab4 n GLN 406 Cb 0.57 -2.29 -0.02 0.00 0.00 0.00 0.00 30.24 28.50 3ab4 n GLN 406 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3ab4 s LEU 407 N -3.95 4.20 0.00 1.08 1.02 -1.03 -5.07 118.68 114.92 3ab4 s LEU 407 Ca 0.49 2.29 0.00 0.00 0.02 0.00 0.00 54.13 56.94 3ab4 s LEU 407 Cb 0.39 -4.03 0.00 0.00 0.02 0.00 0.00 46.19 42.57 3ab4 s LEU 407 CO -0.31 -0.63 0.00 0.61 0.02 0.00 0.00 176.35 176.04