#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 5.41 -0.19 0.00 0.20 -1.26 -2.25 118.68 120.59 3ab4 s LEU 3 Ca 0.00 -1.63 -0.06 0.00 0.69 0.00 0.00 54.13 53.13 3ab4 s LEU 3 Cb 0.00 -2.02 -0.03 0.00 -0.43 0.00 0.00 46.19 43.71 3ab4 s LEU 3 CO 0.00 -0.61 0.02 0.68 -0.29 0.00 0.00 176.35 176.15 3ab4 s VAL 4 N 1.43 4.22 -0.08 1.68 -7.23 -0.16 -1.63 120.40 118.64 3ab4 s VAL 4 Ca 0.04 -0.23 -0.15 0.00 -1.81 0.00 0.00 61.98 59.83 3ab4 s VAL 4 Cb -0.24 -2.90 -0.05 0.00 0.56 0.00 0.00 36.38 33.74 3ab4 s VAL 4 CO 0.02 0.44 0.40 -0.69 -0.31 0.00 0.00 175.10 174.96 3ab4 s VAL 5 N 0.73 5.15 -0.11 1.32 1.01 -0.57 -1.41 120.40 126.53 3ab4 s VAL 5 Ca 0.01 0.79 0.03 0.00 0.00 0.00 0.00 61.98 62.81 3ab4 s VAL 5 Cb -0.14 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.53 3ab4 s VAL 5 CO 0.02 0.46 -0.20 -1.10 0.00 0.00 0.00 175.10 174.27 3ab4 s GLN 6 N -0.18 2.71 -0.15 2.72 -0.21 0.25 0.13 119.66 124.94 3ab4 s GLN 6 Ca 0.23 -0.75 -0.02 0.00 0.02 0.00 0.00 55.36 54.83 3ab4 s GLN 6 Cb -0.15 -2.14 -0.02 0.00 1.00 0.00 0.00 33.01 31.70 3ab4 s GLN 6 CO 0.10 0.07 -0.08 0.21 -2.12 0.00 0.00 175.29 173.46 3ab4 s LYS 7 N 0.62 3.50 -0.19 2.91 2.36 0.20 -0.54 119.74 128.60 3ab4 s LYS 7 Ca -0.13 -0.61 -0.03 0.00 -2.55 0.00 0.00 55.97 52.65 3ab4 s LYS 7 Cb -0.16 -2.79 -0.01 0.00 -1.05 0.00 0.00 37.83 33.81 3ab4 s LYS 7 CO 0.04 0.17 -0.08 0.71 1.55 0.00 0.00 175.35 177.74 3ab4 s TYR 8 N 0.50 2.91 1.06 4.03 2.02 0.02 0.60 117.35 128.49 3ab4 s TYR 8 Ca -0.06 -0.89 -0.16 0.00 -0.37 0.00 0.00 57.07 55.59 3ab4 s TYR 8 Cb -0.15 -2.02 0.22 0.00 -0.40 0.00 0.00 41.96 39.61 3ab4 s TYR 8 CO 0.03 -0.46 1.15 0.20 -1.57 0.00 0.00 175.55 174.90 3ab4 s GLY 9 N 1.14 1.61 0.24 0.71 0.00 -0.75 -1.00 107.32 109.27 3ab4 s GLY 9 Ca 0.01 -0.79 -0.05 0.00 0.00 0.00 0.00 44.72 43.90 3ab4 s GLY 9 CO -0.02 -0.04 1.81 -1.33 0.00 0.00 0.00 173.10 173.52 3ab4 h GLY 10 N -2.07 1.14 0.50 0.20 0.00 -1.77 -2.87 103.07 98.20 3ab4 h GLY 10 Ca -0.48 -0.62 0.05 0.00 0.00 0.00 0.00 47.33 46.28 3ab4 h GLY 10 CO 0.46 0.58 -0.05 1.48 0.00 0.00 0.00 176.54 179.01 3ab4 h SER 11 N 1.04 -0.20 0.26 0.19 4.64 -1.86 0.12 113.55 117.74 3ab4 h SER 11 Ca 0.24 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 3ab4 h SER 11 Cb 0.22 0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3ab4 h SER 11 CO -0.02 -0.07 0.00 0.28 -0.87 0.00 0.00 176.83 176.15 3ab4 h SER 12 N 0.03 0.00 -0.37 4.97 0.02 -1.84 -2.89 113.55 113.46 3ab4 h SER 12 Ca 0.13 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.80 3ab4 h SER 12 Cb 0.19 0.00 -0.27 0.00 0.14 0.00 0.00 62.40 62.46 3ab4 h SER 12 CO -0.26 0.00 -0.76 0.18 -1.14 0.00 0.00 176.83 174.86 3ab4 n LEU 13 N -2.49 3.40 0.25 5.07 4.77 -0.78 -4.39 117.00 122.82 3ab4 n LEU 13 Ca -0.01 -4.01 0.14 0.00 -0.03 0.00 0.00 56.01 52.10 3ab4 n LEU 13 Cb 0.11 -0.29 0.57 0.00 -2.33 0.00 0.00 43.42 41.48 3ab4 n LEU 13 CO 0.16 1.59 0.90 -0.33 -1.33 0.00 0.00 177.39 178.38 3ab4 h GLU 14 N 1.69 0.00 -3.45 3.23 5.08 -1.26 -3.30 114.58 116.58 3ab4 h GLU 14 Ca 0.13 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.44 3ab4 h GLU 14 Cb 1.35 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.49 3ab4 h GLU 14 CO 0.36 0.10 -0.06 -1.54 -1.00 0.00 0.00 179.01 176.88 3ab4 s SER 15 N -5.95 -0.19 0.24 1.42 1.04 -1.26 -4.63 113.70 104.38 3ab4 s SER 15 Ca 0.01 -0.57 -0.05 0.00 0.48 0.00 0.00 55.95 55.83 3ab4 s SER 15 Cb 0.09 0.54 0.46 0.00 0.10 0.00 0.00 66.02 67.22 3ab4 s SER 15 CO 0.59 -1.01 1.69 0.00 0.98 0.00 0.00 173.24 175.50 3ab4 h ALA 16 N 2.29 0.97 -0.57 5.32 0.00 -1.99 0.08 119.26 125.36 3ab4 h ALA 16 Ca -0.30 0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.82 3ab4 h ALA 16 Cb 1.25 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 19.21 3ab4 h ALA 16 CO 0.40 -0.32 0.31 1.49 0.00 0.00 0.00 179.25 181.13 3ab4 h GLU 17 N 0.29 0.57 -0.07 0.00 4.81 -1.99 -0.81 114.58 117.39 3ab4 h GLU 17 Ca 0.42 -0.03 -0.16 0.00 -0.13 0.00 0.00 59.36 59.45 3ab4 h GLU 17 Cb 0.70 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 3ab4 h GLU 17 CO -0.50 0.38 -0.66 -0.09 -0.73 0.00 0.00 179.01 177.41 3ab4 h ARG 18 N 0.59 0.28 -0.50 1.92 9.65 -1.61 -1.63 114.38 123.07 3ab4 h ARG 18 Ca 0.25 -0.21 -0.10 0.00 -1.10 0.00 0.00 59.98 58.83 3ab4 h ARG 18 Cb 0.14 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.74 3ab4 h ARG 18 CO -0.16 0.84 -0.06 0.82 2.80 0.00 0.00 179.97 184.21 3ab4 h ILE 19 N 0.20 1.27 -0.67 1.20 2.04 -0.56 -1.35 117.51 119.64 3ab4 h ILE 19 Ca -0.01 -1.18 -0.07 0.00 1.00 0.00 0.00 64.86 64.60 3ab4 h ILE 19 Cb 1.19 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 38.26 3ab4 h ILE 19 CO 0.10 0.41 0.14 0.03 0.00 0.00 0.00 178.15 178.84 3ab4 h ARG 20 N 0.79 1.08 -0.69 2.37 3.08 -0.94 -1.07 114.38 119.00 3ab4 h ARG 20 Ca 0.13 -0.26 -0.04 0.00 0.07 0.00 0.00 59.98 59.88 3ab4 h ARG 20 Cb 0.60 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 3ab4 h ARG 20 CO 0.04 0.96 0.27 -0.97 -1.07 0.00 0.00 179.97 179.20 3ab4 h ASN 21 N 1.02 0.95 -0.65 7.04 -0.73 -1.10 -2.47 115.58 119.64 3ab4 h ASN 21 Ca 0.21 -0.17 -0.06 0.00 1.87 0.00 0.00 56.30 58.14 3ab4 h ASN 21 Cb 0.38 -0.25 -0.03 0.00 0.27 0.00 0.00 38.32 38.70 3ab4 h ASN 21 CO 0.01 0.87 0.15 0.58 -0.37 0.00 0.00 177.43 178.66 3ab4 h VAL 22 N 0.98 1.26 -0.50 2.57 2.07 -1.08 -2.70 116.25 118.84 3ab4 h VAL 22 Ca 0.23 -0.95 0.08 0.00 0.82 0.00 0.00 66.70 66.88 3ab4 h VAL 22 Cb 0.22 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 30.55 3ab4 h VAL 22 CO -0.02 0.36 0.15 0.00 0.02 0.00 0.00 177.57 178.08 3ab4 h ALA 23 N 1.06 0.60 0.00 1.67 0.00 -0.87 0.11 119.26 121.83 3ab4 h ALA 23 Ca 0.20 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 3ab4 h ALA 23 Cb 0.37 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3ab4 h ALA 23 CO 0.00 -0.25 -0.36 1.05 0.00 0.00 0.00 179.25 179.70 3ab4 h GLU 24 N 0.32 0.00 -0.21 0.00 -0.00 -1.33 0.50 114.58 113.86 3ab4 h GLU 24 Ca 0.25 0.00 -0.09 0.00 -0.00 0.00 0.00 59.36 59.52 3ab4 h GLU 24 Cb 0.29 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.04 3ab4 h GLU 24 CO -0.27 0.36 -0.22 -0.09 -0.00 0.00 0.00 179.01 178.78 3ab4 h ARG 25 N 0.00 0.52 -0.45 1.06 2.43 -0.91 0.24 114.38 117.27 3ab4 h ARG 25 Ca -0.00 -0.28 -0.01 0.00 -0.81 0.00 0.00 59.98 58.88 3ab4 h ARG 25 Cb 0.68 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.22 3ab4 h ARG 25 CO 0.05 0.86 0.25 0.82 -1.51 0.00 0.00 179.97 180.44 3ab4 h ILE 26 N 0.20 1.16 -0.42 1.20 2.04 -0.27 -1.75 117.51 119.67 3ab4 h ILE 26 Ca 0.03 -0.40 -0.08 0.00 1.00 0.00 0.00 64.86 65.41 3ab4 h ILE 26 Cb 0.77 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 3ab4 h ILE 26 CO 0.05 0.17 -0.05 0.58 0.00 0.00 0.00 178.15 178.90 3ab4 h VAL 27 N 0.59 1.24 -0.16 1.67 2.07 -0.86 -2.39 116.25 118.40 3ab4 h VAL 27 Ca 0.16 -1.03 -0.09 0.00 0.82 0.00 0.00 66.70 66.56 3ab4 h VAL 27 Cb 0.05 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 3ab4 h VAL 27 CO -0.03 0.35 -0.31 0.00 0.02 0.00 0.00 177.57 177.61 3ab4 h ALA 28 N 1.28 1.18 -0.54 1.67 0.00 -0.66 -0.15 119.26 122.04 3ab4 h ALA 28 Ca 0.13 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 3ab4 h ALA 28 Cb 0.48 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3ab4 h ALA 28 CO 0.02 0.54 -0.07 1.15 0.00 0.00 0.00 179.25 180.89 3ab4 h THR 29 N 0.27 1.26 -0.19 0.00 2.02 -0.92 -2.59 112.91 112.77 3ab4 h THR 29 Ca 0.04 -1.20 -0.03 0.00 0.77 0.00 0.00 66.41 65.98 3ab4 h THR 29 Cb 0.69 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 3ab4 h THR 29 CO 0.05 0.43 -0.02 0.50 0.37 0.00 0.00 175.52 176.85 3ab4 h LYS 30 N 0.89 0.34 -0.85 6.66 3.64 -0.94 -3.17 116.57 123.15 3ab4 h LYS 30 Ca 0.15 -0.12 0.12 0.00 -1.27 0.00 0.00 60.65 59.53 3ab4 h LYS 30 Cb 0.61 -0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.32 3ab4 h LYS 30 CO 0.04 0.58 0.47 0.87 -2.27 0.00 0.00 179.45 179.13 3ab4 h LYS 31 N 0.08 0.70 -0.75 1.90 1.57 -0.96 -0.96 116.57 118.15 3ab4 h LYS 31 Ca 0.05 -0.04 0.22 0.00 -1.87 0.00 0.00 60.65 59.01 3ab4 h LYS 31 Cb 0.43 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 3ab4 h LYS 31 CO 0.01 0.46 0.64 0.00 -0.57 0.00 0.00 179.45 179.99 3ab4 h ALA 32 N 1.51 2.61 0.00 3.86 0.00 -1.44 -3.44 119.26 122.36 3ab4 h ALA 32 Ca 0.44 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3ab4 h ALA 32 Cb 0.52 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3ab4 h ALA 32 CO -0.30 -1.02 0.00 0.41 0.00 0.00 0.00 179.25 178.33 3ab4 n GLY 33 N -1.63 0.64 3.91 0.00 0.00 -0.37 -5.07 105.19 102.67 3ab4 n GLY 33 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.96 6.46 -0.09 1.61 -0.87 -1.18 -4.50 114.94 115.41 3ab4 s ASN 34 Ca 0.00 0.59 -0.19 0.00 -1.57 0.00 0.00 52.86 51.68 3ab4 s ASN 34 Cb 0.00 -2.09 -0.04 0.00 -0.02 0.00 0.00 41.25 39.10 3ab4 s ASN 34 CO 0.00 -0.04 0.53 -1.81 -2.57 0.00 0.00 177.10 173.20 3ab4 s ASP 35 N -2.82 6.77 -0.10 -1.22 -0.00 -0.95 -4.36 116.67 113.98 3ab4 s ASP 35 Ca 0.41 0.92 0.01 0.00 -0.00 0.00 0.00 52.55 53.89 3ab4 s ASP 35 Cb -0.11 -2.31 0.02 0.00 -0.00 0.00 0.00 42.92 40.51 3ab4 s ASP 35 CO 0.27 0.00 -0.11 0.54 -0.00 0.00 0.00 175.17 175.87 3ab4 s VAL 36 N 0.52 1.21 -0.10 -1.27 0.11 -1.26 -0.99 120.40 118.62 3ab4 s VAL 36 Ca 0.28 -0.45 0.02 0.00 -2.93 0.00 0.00 61.98 58.91 3ab4 s VAL 36 Cb -0.16 -1.16 -0.02 0.00 -1.53 0.00 0.00 36.38 33.52 3ab4 s VAL 36 CO 0.12 0.39 -0.16 0.54 -3.33 0.00 0.00 175.10 172.67 3ab4 s VAL 37 N 1.28 2.87 0.09 2.04 0.11 -0.50 -2.49 120.40 123.79 3ab4 s VAL 37 Ca -0.02 -0.75 0.09 0.00 -2.93 0.00 0.00 61.98 58.37 3ab4 s VAL 37 Cb -0.14 -2.16 -0.03 0.00 -1.53 0.00 0.00 36.38 32.52 3ab4 s VAL 37 CO -0.04 0.55 -0.24 0.68 -3.33 0.00 0.00 175.10 172.72 3ab4 s VAL 38 N -0.01 1.94 -0.03 2.04 -7.23 0.17 -0.58 120.40 116.69 3ab4 s VAL 38 Ca -0.05 -1.53 0.03 0.00 -1.81 0.00 0.00 61.98 58.63 3ab4 s VAL 38 Cb -0.14 -1.71 0.00 0.00 0.56 0.00 0.00 36.38 35.08 3ab4 s VAL 38 CO 0.04 0.10 -0.11 -0.69 -0.31 0.00 0.00 175.10 174.13 3ab4 s VAL 39 N -1.01 0.93 -0.04 1.32 1.01 0.30 -1.16 120.40 121.75 3ab4 s VAL 39 Ca 0.10 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.69 3ab4 s VAL 39 Cb -0.10 -0.82 -0.02 0.00 0.00 0.00 0.00 36.38 35.43 3ab4 s VAL 39 CO 0.04 0.29 -0.20 0.00 0.00 0.00 0.00 175.10 175.23 3ab4 s SER 41 N -0.65 1.87 0.75 0.00 0.01 -0.17 -4.83 113.70 110.67 3ab4 s SER 41 Ca 0.10 0.62 -0.12 0.00 1.31 0.00 0.00 55.95 57.86 3ab4 s SER 41 Cb -0.10 -0.88 0.04 0.00 0.21 0.00 0.00 66.02 65.29 3ab4 s SER 41 CO -0.00 -3.54 1.10 0.00 0.41 0.00 0.00 173.24 171.21 3ab4 s ALA 42 N -3.25 2.28 0.25 1.44 0.00 -1.26 -4.73 121.76 116.49 3ab4 s ALA 42 Ca 0.70 0.36 -0.30 0.00 0.00 0.00 0.00 51.96 52.72 3ab4 s ALA 42 Cb -0.09 -3.29 -0.10 0.00 0.00 0.00 0.00 23.12 19.63 3ab4 s ALA 42 CO 0.55 -1.67 1.47 -1.64 0.00 0.00 0.00 175.76 174.46 3ab4 s MET 43 N -4.67 4.25 1.24 0.00 1.00 -1.26 -3.91 119.30 115.95 3ab4 s MET 43 Ca 0.63 2.34 0.00 0.00 0.00 0.00 0.00 55.69 58.66 3ab4 s MET 43 Cb -0.18 -3.10 0.00 0.00 0.00 0.00 0.00 34.83 31.54 3ab4 s MET 43 CO 0.52 -0.46 0.00 0.41 0.00 0.00 0.00 175.02 175.49 3ab4 n GLY 44 N 2.30 2.15 1.22 -0.03 0.00 0.37 -0.92 105.19 110.28 3ab4 n GLY 44 Ca 0.07 0.43 0.06 0.00 0.00 0.00 0.00 46.02 46.58 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 4.28 4.28 0.02 1.61 8.00 -1.26 -4.36 116.55 129.11 3ab4 n ASP 45 Ca 0.00 -3.07 0.01 0.00 0.71 0.00 0.00 54.79 52.44 3ab4 n ASP 45 Cb 0.00 -0.60 0.34 0.00 -0.02 0.00 0.00 41.12 40.84 3ab4 n ASP 45 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ab4 h THR 46 N 2.29 1.17 -0.62 -3.53 1.03 -1.30 -0.56 112.91 111.39 3ab4 h THR 46 Ca 0.04 -0.62 0.02 0.00 -0.01 0.00 0.00 66.41 65.84 3ab4 h THR 46 Cb 1.66 0.86 -0.04 0.00 -1.07 0.00 0.00 68.15 69.56 3ab4 h THR 46 CO 0.34 0.22 0.38 0.74 -0.01 0.00 0.00 175.52 177.19 3ab4 h THR 47 N 0.48 1.09 -0.30 0.00 2.02 -1.83 0.59 112.91 114.95 3ab4 h THR 47 Ca 0.11 -0.26 -0.12 0.00 0.77 0.00 0.00 66.41 66.91 3ab4 h THR 47 Cb 0.23 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 3ab4 h THR 47 CO 0.00 0.14 -0.27 0.44 0.37 0.00 0.00 175.52 176.20 3ab4 h ASP 48 N 0.76 0.75 -0.86 4.18 3.45 -1.79 0.12 116.42 123.04 3ab4 h ASP 48 Ca 0.24 -0.46 0.11 0.00 0.43 0.00 0.00 57.03 57.35 3ab4 h ASP 48 Cb 0.00 -0.21 -0.06 0.00 -0.56 0.00 0.00 39.33 38.50 3ab4 h ASP 48 CO -0.09 1.06 0.56 -0.33 -1.57 0.00 0.00 179.24 178.86 3ab4 h GLU 49 N 0.46 0.78 0.08 3.56 5.08 -0.68 -1.31 114.58 122.55 3ab4 h GLU 49 Ca 0.05 -0.05 -0.26 0.00 -1.00 0.00 0.00 59.36 58.10 3ab4 h GLU 49 Cb 0.83 -0.17 0.02 0.00 0.50 0.00 0.00 28.75 29.93 3ab4 h GLU 49 CO 0.07 0.51 -1.07 -0.07 -1.00 0.00 0.00 179.01 177.46 3ab4 h LEU 50 N 0.80 0.79 -1.09 1.33 4.07 0.52 -2.62 115.31 119.11 3ab4 h LEU 50 Ca 0.41 -0.81 0.01 0.00 0.08 0.00 0.00 57.88 57.57 3ab4 h LEU 50 Cb 0.48 -0.25 -0.05 0.00 1.08 0.00 0.00 40.66 41.93 3ab4 h LEU 50 CO -0.17 1.52 0.61 -0.07 -1.08 0.00 0.00 178.44 179.25 3ab4 h LEU 51 N 0.17 1.06 -0.65 1.67 -0.00 -0.55 -1.84 115.31 115.17 3ab4 h LEU 51 Ca -0.16 -0.03 -0.14 0.00 -0.00 0.00 0.00 57.88 57.56 3ab4 h LEU 51 Cb 1.76 -0.26 -0.01 0.00 -0.00 0.00 0.00 40.66 42.14 3ab4 h LEU 51 CO 0.21 0.76 -0.44 -0.33 -0.00 0.00 0.00 178.44 178.64 3ab4 h GLU 52 N 1.24 0.55 -0.27 1.13 3.07 -1.22 -2.37 114.58 116.71 3ab4 h GLU 52 Ca 0.34 -0.29 -0.08 0.00 -0.50 0.00 0.00 59.36 58.83 3ab4 h GLU 52 Cb -0.13 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 27.79 3ab4 h GLU 52 CO -0.08 0.88 -0.15 -0.07 -1.40 0.00 0.00 179.01 178.20 3ab4 h LEU 53 N 0.45 0.59 -0.68 1.33 -0.00 -1.34 -2.72 115.31 112.94 3ab4 h LEU 53 Ca 0.03 -0.42 0.14 0.00 -0.00 0.00 0.00 57.88 57.64 3ab4 h LEU 53 Cb 0.94 -0.16 -0.10 0.00 -0.00 0.00 0.00 40.66 41.34 3ab4 h LEU 53 CO 0.08 0.88 0.14 0.00 -0.00 0.00 0.00 178.44 179.55 3ab4 h ALA 54 N 0.73 0.84 -0.01 1.53 0.00 -1.24 0.11 119.26 121.21 3ab4 h ALA 54 Ca 0.06 0.16 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 3ab4 h ALA 54 Cb 0.67 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3ab4 h ALA 54 CO 0.04 -0.33 -0.43 0.00 0.00 0.00 0.00 179.25 178.53 3ab4 h ALA 55 N 1.57 1.25 0.00 0.00 0.00 -1.42 -1.37 119.26 119.30 3ab4 h ALA 55 Ca 0.38 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3ab4 h ALA 55 Cb 0.61 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3ab4 h ALA 55 CO -0.48 0.55 -0.39 0.00 0.00 0.00 0.00 179.25 178.94 3ab4 h ALA 56 N 1.54 0.82 0.00 0.00 0.00 -0.89 -3.27 119.26 117.45 3ab4 h ALA 56 Ca -0.00 -0.35 -0.25 0.00 0.00 0.00 0.00 54.91 54.31 3ab4 h ALA 56 Cb 0.78 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 3ab4 h ALA 56 CO 0.06 0.48 -1.54 0.28 0.00 0.00 0.00 179.25 178.53 3ab4 h VAL 57 N 0.00 0.82 -0.79 0.00 2.07 -0.49 -3.45 116.25 114.41 3ab4 h VAL 57 Ca -0.00 -2.55 0.12 0.00 0.82 0.00 0.00 66.70 65.09 3ab4 h VAL 57 Cb 1.14 2.35 -0.21 0.00 -1.52 0.00 0.00 31.29 33.05 3ab4 h VAL 57 CO 0.05 0.47 -0.17 0.21 0.02 0.00 0.00 177.57 178.14 3ab4 s ASN 58 N -6.07 -1.14 0.24 0.57 3.04 -0.55 -5.08 114.94 105.95 3ab4 s ASN 58 Ca -0.03 0.59 -0.30 0.00 0.04 0.00 0.00 52.86 53.16 3ab4 s ASN 58 Cb 0.08 1.91 -0.09 0.00 -1.54 0.00 0.00 41.25 41.61 3ab4 s ASN 58 CO 0.82 -0.21 1.31 -2.16 -3.04 0.00 0.00 177.10 173.82 3ab4 s PRO 59 N 2.88 4.38 -0.62 0.43 0.04 -1.23 -2.63 135.00 138.26 3ab4 s PRO 59 Ca 0.14 2.10 -0.02 0.00 0.04 0.00 0.00 61.00 63.26 3ab4 s PRO 59 Cb -0.12 -3.16 -0.03 0.00 0.04 0.00 0.00 34.50 31.23 3ab4 s PRO 59 CO -0.19 -0.23 0.56 0.28 0.04 0.00 0.00 177.00 177.45 3ab4 n VAL 60 N 2.15 -6.76 -2.25 -0.36 0.31 -1.26 -5.00 118.33 105.15 3ab4 n VAL 60 Ca 0.05 -0.60 -0.41 0.00 -0.01 0.00 0.00 64.34 63.36 3ab4 n VAL 60 Cb 0.42 -5.55 -0.03 0.00 -0.91 0.00 0.00 33.84 27.78 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 -3.55 4.41 0.66 5.55 0.02 -1.08 -5.00 135.00 136.00 3ab4 s PRO 61 Ca 0.18 2.02 -0.18 0.00 0.02 0.00 0.00 61.00 63.04 3ab4 s PRO 61 Cb -0.02 -3.20 -0.00 0.00 0.02 0.00 0.00 34.50 31.29 3ab4 s PRO 61 CO 0.50 -0.21 1.27 -2.14 -0.33 0.00 0.00 177.00 176.08 3ab4 s PRO 62 N -0.18 2.52 0.19 5.54 0.02 -1.26 -4.86 135.00 136.97 3ab4 s PRO 62 Ca 0.56 1.98 -0.03 0.00 0.02 0.00 0.00 61.00 63.53 3ab4 s PRO 62 Cb -0.36 -1.85 0.12 0.00 0.02 0.00 0.00 34.50 32.43 3ab4 s PRO 62 CO 0.38 -1.60 1.51 0.00 -0.33 0.00 0.00 177.00 176.96 3ab4 h ALA 63 N 0.43 0.71 0.22 -1.55 0.00 -1.98 -0.45 119.26 116.64 3ab4 h ALA 63 Ca -0.50 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 53.89 3ab4 h ALA 63 Cb 1.33 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3ab4 h ALA 63 CO 0.53 0.69 -0.11 0.00 0.00 0.00 0.00 179.25 180.36 3ab4 h ARG 64 N 0.42 -0.28 -0.32 0.00 -0.00 -2.00 -1.22 114.38 110.98 3ab4 h ARG 64 Ca 0.01 0.02 -0.12 0.00 -0.50 0.00 0.00 59.98 59.39 3ab4 h ARG 64 Cb 1.09 0.06 -0.01 0.00 0.00 0.00 0.00 29.97 31.11 3ab4 h ARG 64 CO 0.10 -0.10 -0.29 0.93 0.00 0.00 0.00 179.97 180.61 3ab4 h GLU 65 N -0.42 0.66 -0.96 0.04 4.39 -1.94 -1.93 114.58 114.41 3ab4 h GLU 65 Ca -0.03 -0.29 0.05 0.00 0.34 0.00 0.00 59.36 59.44 3ab4 h GLU 65 Cb 0.32 -0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 28.89 3ab4 h GLU 65 CO 0.05 0.88 0.63 1.98 -1.16 0.00 0.00 179.01 181.38 3ab4 h MET 66 N 0.57 1.12 -0.20 2.33 4.05 -0.93 0.66 114.93 122.53 3ab4 h MET 66 Ca 0.07 -0.07 -0.17 0.00 -0.28 0.00 0.00 59.70 59.26 3ab4 h MET 66 Cb 0.79 -0.25 0.00 0.00 -0.80 0.00 0.00 31.60 31.34 3ab4 h MET 66 CO 0.06 0.74 -0.52 0.22 0.23 0.00 0.00 176.91 177.64 3ab4 h ASP 67 N 1.16 0.81 -0.59 1.39 3.58 -0.83 -1.74 116.42 120.20 3ab4 h ASP 67 Ca 0.40 -0.57 0.12 0.00 0.42 0.00 0.00 57.03 57.39 3ab4 h ASP 67 Cb 0.11 -0.23 -0.12 0.00 1.72 0.00 0.00 39.33 40.81 3ab4 h ASP 67 CO -0.14 1.24 -0.22 0.24 -2.88 0.00 0.00 179.24 177.47 3ab4 h MET 68 N 0.42 -0.07 0.51 0.28 2.86 -0.93 -1.15 114.93 116.85 3ab4 h MET 68 Ca -0.01 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 3ab4 h MET 68 Cb 1.14 0.02 0.01 0.00 0.06 0.00 0.00 31.60 32.82 3ab4 h MET 68 CO 0.11 -0.05 -0.25 1.25 1.06 0.00 0.00 176.91 179.04 3ab4 h LEU 69 N -0.08 -0.58 -0.57 1.22 5.85 -0.47 -0.78 115.31 119.90 3ab4 h LEU 69 Ca 0.27 -0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.84 3ab4 h LEU 69 Cb 0.50 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 3ab4 h LEU 69 CO -0.64 -0.34 -0.19 -0.07 -0.34 0.00 0.00 178.44 176.85 3ab4 h LEU 70 N -0.79 0.95 -0.35 2.25 3.38 -1.26 -0.60 115.31 118.89 3ab4 h LEU 70 Ca -0.07 -0.35 0.06 0.00 0.09 0.00 0.00 57.88 57.62 3ab4 h LEU 70 Cb 0.57 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 3ab4 h LEU 70 CO 0.12 1.12 -0.02 0.74 0.09 0.00 0.00 178.44 180.49 3ab4 h THR 71 N 0.82 0.72 -0.69 0.22 2.02 -1.19 0.11 112.91 114.91 3ab4 h THR 71 Ca 0.11 -0.03 0.10 0.00 0.77 0.00 0.00 66.41 67.36 3ab4 h THR 71 Cb 0.75 0.63 -0.07 0.00 -1.74 0.00 0.00 68.15 67.72 3ab4 h THR 71 CO 0.06 0.01 0.32 0.00 0.37 0.00 0.00 175.52 176.28 3ab4 h ALA 72 N 1.32 0.94 -0.86 6.16 0.00 -0.29 0.66 119.26 127.19 3ab4 h ALA 72 Ca 0.17 0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.28 3ab4 h ALA 72 Cb 0.24 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.94 3ab4 h ALA 72 CO -0.30 -0.10 0.47 0.78 0.00 0.00 0.00 179.25 180.09 3ab4 h GLY 73 N 0.54 1.39 1.67 0.00 0.00 -0.11 -2.55 103.07 104.01 3ab4 h GLY 73 Ca 0.35 -0.28 -0.22 0.00 0.00 0.00 0.00 47.33 47.17 3ab4 h GLY 73 CO -0.29 0.02 -0.96 0.83 0.00 0.00 0.00 176.54 176.14 3ab4 h GLU 74 N 0.70 0.29 0.00 4.80 5.08 0.20 -3.25 114.58 122.39 3ab4 h GLU 74 Ca 0.45 -0.33 -0.08 0.00 -1.00 0.00 0.00 59.36 58.39 3ab4 h GLU 74 Cb 0.58 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 3ab4 h GLU 74 CO -0.33 1.05 -0.40 0.00 -1.00 0.00 0.00 179.01 178.33 3ab4 h ARG 75 N 0.15 0.00 0.03 2.33 3.08 0.39 -1.29 114.38 119.07 3ab4 h ARG 75 Ca -0.07 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.00 3ab4 h ARG 75 Cb 1.60 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.63 3ab4 h ARG 75 CO 0.16 0.40 -0.15 0.82 -1.07 0.00 0.00 179.97 180.13 3ab4 h ILE 76 N 0.00 0.63 0.00 2.04 2.04 -1.49 -0.54 117.51 120.20 3ab4 h ILE 76 Ca -0.00 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.71 3ab4 h ILE 76 Cb 0.73 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 3ab4 h ILE 76 CO 0.05 0.00 -0.70 0.77 0.00 0.00 0.00 178.15 178.27 3ab4 h SER 77 N -0.27 0.00 -0.79 1.72 4.64 -1.63 -2.67 113.55 114.55 3ab4 h SER 77 Ca 0.04 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.43 3ab4 h SER 77 Cb 0.32 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.35 3ab4 h SER 77 CO -0.13 0.70 0.46 0.78 -0.87 0.00 0.00 176.83 177.78 3ab4 h ASN 78 N 0.00 0.70 -0.32 4.97 2.35 -1.09 -1.28 115.58 120.91 3ab4 h ASN 78 Ca -0.01 0.03 -0.10 0.00 -0.55 0.00 0.00 56.30 55.67 3ab4 h ASN 78 Cb 1.42 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.67 3ab4 h ASN 78 CO 0.09 0.44 -0.20 0.00 -1.65 0.00 0.00 177.43 176.11 3ab4 h ALA 79 N 1.40 0.46 -0.46 -0.83 0.00 -0.90 -1.80 119.26 117.13 3ab4 h ALA 79 Ca 0.36 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3ab4 h ALA 79 Cb 0.22 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3ab4 h ALA 79 CO -0.19 0.41 -0.17 -0.07 0.00 0.00 0.00 179.25 179.23 3ab4 h LEU 80 N 0.47 0.94 -1.08 0.00 3.38 -1.37 -1.42 115.31 116.23 3ab4 h LEU 80 Ca 0.07 -0.38 -0.06 0.00 0.09 0.00 0.00 57.88 57.59 3ab4 h LEU 80 Cb 0.75 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 3ab4 h LEU 80 CO 0.06 1.11 -0.04 0.58 0.09 0.00 0.00 178.44 180.24 3ab4 h VAL 81 N 0.76 1.22 -0.63 1.22 2.07 -1.27 -0.60 116.25 119.01 3ab4 h VAL 81 Ca 0.11 -0.93 -0.06 0.00 0.82 0.00 0.00 66.70 66.63 3ab4 h VAL 81 Cb 0.73 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 3ab4 h VAL 81 CO 0.06 0.32 0.14 0.00 0.02 0.00 0.00 177.57 178.11 3ab4 h ALA 82 N 1.39 0.83 -0.40 1.67 0.00 -0.98 -1.45 119.26 120.32 3ab4 h ALA 82 Ca 0.11 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3ab4 h ALA 82 Cb 0.42 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3ab4 h ALA 82 CO 0.02 0.55 0.20 0.52 0.00 0.00 0.00 179.25 180.55 3ab4 h MET 83 N 0.93 0.57 -0.44 0.00 2.07 -0.89 -2.51 114.93 114.66 3ab4 h MET 83 Ca 0.20 -0.08 -0.00 0.00 -2.07 0.00 0.00 59.70 57.75 3ab4 h MET 83 Cb 0.37 -0.11 -0.02 0.00 -1.87 0.00 0.00 31.60 29.98 3ab4 h MET 83 CO 0.00 0.49 0.27 0.00 1.07 0.00 0.00 176.91 178.74 3ab4 h ALA 84 N 1.06 0.56 -0.85 6.32 0.00 -0.90 -2.51 119.26 122.93 3ab4 h ALA 84 Ca 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3ab4 h ALA 84 Cb 0.09 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 3ab4 h ALA 84 CO -0.02 0.05 0.54 0.82 0.00 0.00 0.00 179.25 180.63 3ab4 h ILE 85 N 0.59 1.23 -0.40 0.00 2.04 -1.20 -2.99 117.51 116.77 3ab4 h ILE 85 Ca 0.16 -0.46 -0.14 0.00 1.00 0.00 0.00 64.86 65.42 3ab4 h ILE 85 Cb -0.01 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.06 3ab4 h ILE 85 CO -0.03 0.23 -0.31 -0.33 0.00 0.00 0.00 178.15 177.71 3ab4 h GLU 86 N 1.17 0.88 0.00 2.37 5.08 -1.08 -2.45 114.58 120.55 3ab4 h GLU 86 Ca 0.31 -0.42 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 3ab4 h GLU 86 Cb -0.09 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3ab4 h GLU 86 CO -0.06 1.06 -0.20 0.66 -1.00 0.00 0.00 179.01 179.47 3ab4 h SER 87 N 0.74 0.00 0.92 1.42 4.64 -1.34 -2.04 113.55 117.90 3ab4 h SER 87 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3ab4 h SER 87 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 3ab4 h SER 87 CO 0.08 0.20 -0.04 0.18 -0.87 0.00 0.00 176.83 176.37 3ab4 n LEU 88 N -4.03 0.05 0.00 5.97 7.99 -0.94 -4.95 117.00 121.08 3ab4 n LEU 88 Ca -0.02 0.44 0.00 0.00 -0.01 0.00 0.00 56.01 56.42 3ab4 n LEU 88 Cb 0.28 -0.46 0.00 0.00 -0.11 0.00 0.00 43.42 43.12 3ab4 n LEU 88 CO 0.35 0.01 0.00 0.61 -1.51 0.00 0.00 177.39 176.85 3ab4 n GLY 89 N 1.48 1.03 3.95 -0.72 0.00 -0.77 -5.10 105.19 105.07 3ab4 n GLY 89 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.00 3.81 -0.16 4.61 0.00 -1.13 -5.02 121.76 121.87 3ab4 s ALA 90 Ca 0.00 -1.05 -0.11 0.00 0.00 0.00 0.00 51.96 50.79 3ab4 s ALA 90 Cb 0.00 -1.93 -0.05 0.00 0.00 0.00 0.00 23.12 21.14 3ab4 s ALA 90 CO 0.00 0.12 0.21 -1.21 0.00 0.00 0.00 175.76 174.87 3ab4 s GLU 91 N -4.12 4.06 0.05 0.00 2.02 -1.26 -3.88 118.70 115.58 3ab4 s GLU 91 Ca 0.37 -0.05 0.07 0.00 0.02 0.00 0.00 54.97 55.38 3ab4 s GLU 91 Cb -0.09 -3.37 -0.03 0.00 0.10 0.00 0.00 34.13 30.74 3ab4 s GLU 91 CO 0.33 0.39 -0.19 0.00 0.02 0.00 0.00 175.26 175.80 3ab4 s ALA 92 N 0.06 1.62 -0.04 5.21 0.00 -1.26 0.37 121.76 127.73 3ab4 s ALA 92 Ca 0.13 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 51.06 3ab4 s ALA 92 Cb -0.12 -0.28 0.02 0.00 0.00 0.00 0.00 23.12 22.74 3ab4 s ALA 92 CO 0.02 0.34 -0.04 -1.14 0.00 0.00 0.00 175.76 174.95 3ab4 s GLN 93 N -1.33 0.69 -0.09 0.00 0.74 0.22 -4.90 119.66 114.99 3ab4 s GLN 93 Ca 0.06 -0.07 -0.06 0.00 0.05 0.00 0.00 55.36 55.34 3ab4 s GLN 93 Cb -0.09 -0.73 -0.04 0.00 1.10 0.00 0.00 33.01 33.25 3ab4 s GLN 93 CO 0.02 -0.08 0.13 -1.12 -0.55 0.00 0.00 175.29 173.70 3ab4 s SER 94 N 0.86 6.26 -0.02 6.67 0.01 -1.26 -1.13 113.70 125.10 3ab4 s SER 94 Ca -0.11 0.41 0.04 0.00 1.31 0.00 0.00 55.95 57.60 3ab4 s SER 94 Cb -0.14 -1.99 -0.01 0.00 0.21 0.00 0.00 66.02 64.10 3ab4 s SER 94 CO -0.00 0.38 -0.13 -0.36 0.41 0.00 0.00 173.24 173.54 3ab4 s PHE 95 N -1.07 1.21 -0.03 2.43 0.08 0.12 -4.94 117.98 115.77 3ab4 s PHE 95 Ca 0.17 -0.25 0.07 0.00 0.12 0.00 0.00 56.93 57.04 3ab4 s PHE 95 Cb -0.12 -0.79 0.12 0.00 -0.57 0.00 0.00 43.02 41.66 3ab4 s PHE 95 CO 0.07 -0.05 1.06 -2.37 -0.10 0.00 0.00 175.22 173.83 3ab4 n THR 96 N 2.88 0.47 0.00 0.64 5.66 -1.26 -1.91 114.28 120.76 3ab4 n THR 96 Ca -0.15 -0.69 0.00 0.00 -3.05 0.00 0.00 64.05 60.15 3ab4 n THR 96 Cb 0.55 0.37 0.00 0.00 -1.55 0.00 0.00 70.33 69.70 3ab4 n THR 96 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 3ab4 n ARG 120 N -0.28 0.00 0.02 1.09 -4.01 -1.26 -4.89 116.66 107.32 3ab4 n ARG 120 Ca 0.05 0.00 -0.06 0.00 -1.04 0.00 0.00 57.85 56.80 3ab4 n ARG 120 Cb 0.74 0.00 0.14 0.00 -3.04 0.00 0.00 32.46 30.29 3ab4 n ARG 120 CO 0.00 0.00 0.00 -0.24 -3.04 0.00 0.00 177.63 174.35 3ab4 h VAL 121 N 0.00 1.30 -0.81 8.89 3.04 -2.02 -3.06 116.25 123.59 3ab4 h VAL 121 Ca 0.00 -1.54 0.04 0.00 -1.01 0.00 0.00 66.70 64.19 3ab4 h VAL 121 Cb 0.00 1.57 -0.05 0.00 -2.01 0.00 0.00 31.29 30.80 3ab4 h VAL 121 CO 0.00 0.48 0.53 -0.09 -1.01 0.00 0.00 177.57 177.48 3ab4 h ARG 122 N 0.40 0.94 -0.18 4.17 9.65 -2.01 -0.63 114.38 126.73 3ab4 h ARG 122 Ca 0.04 -0.06 -0.08 0.00 -1.10 0.00 0.00 59.98 58.78 3ab4 h ARG 122 Cb 0.87 -0.21 -0.00 0.00 -1.39 0.00 0.00 29.97 29.23 3ab4 h ARG 122 CO 0.07 0.62 -0.19 1.49 2.80 0.00 0.00 179.97 184.76 3ab4 h GLU 123 N 0.97 0.44 -0.99 0.20 4.57 -1.98 -2.83 114.58 114.96 3ab4 h GLU 123 Ca 0.33 -0.24 0.01 0.00 -1.18 0.00 0.00 59.36 58.28 3ab4 h GLU 123 Cb 0.09 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.65 3ab4 h GLU 123 CO -0.10 0.81 0.66 0.00 -1.18 0.00 0.00 179.01 179.20 3ab4 h ALA 124 N 0.62 1.29 -0.50 2.92 0.00 -1.43 -2.53 119.26 119.64 3ab4 h ALA 124 Ca 0.03 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 54.97 3ab4 h ALA 124 Cb 0.74 -0.40 -0.09 0.00 0.00 0.00 0.00 17.79 18.03 3ab4 h ALA 124 CO 0.05 0.66 -0.11 1.25 0.00 0.00 0.00 179.25 181.10 3ab4 h LEU 125 N 1.35 -0.44 -1.74 0.00 5.85 -1.01 -1.88 115.31 117.44 3ab4 h LEU 125 Ca 0.36 0.15 0.00 0.00 0.84 0.00 0.00 57.88 59.23 3ab4 h LEU 125 Cb -0.16 0.30 0.00 0.00 0.37 0.00 0.00 40.66 41.17 3ab4 h LEU 125 CO -0.08 -0.16 0.00 -0.90 -0.34 0.00 0.00 178.44 176.97 3ab4 n ASP 126 N -5.35 2.54 -0.39 1.25 5.68 -1.08 -2.04 116.55 117.16 3ab4 n ASP 126 Ca 0.05 -1.97 0.14 0.00 -0.50 0.00 0.00 54.79 52.51 3ab4 n ASP 126 Cb 0.27 -0.30 0.59 0.00 -1.14 0.00 0.00 41.12 40.54 3ab4 n ASP 126 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3ab4 n GLU 127 N 0.89 1.54 -0.13 0.11 1.02 -0.77 -4.95 120.64 118.35 3ab4 n GLU 127 Ca 0.16 -0.79 0.00 0.00 -0.02 0.00 0.00 57.16 56.51 3ab4 n GLU 127 Cb 0.41 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 3ab4 n GLU 127 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ab4 n GLY 128 N 1.14 0.73 3.86 0.62 0.00 -0.87 -5.06 105.19 105.61 3ab4 n GLY 128 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.87 3.89 -0.01 1.61 1.02 -0.84 -4.68 119.74 119.86 3ab4 s LYS 129 Ca 0.00 0.41 -0.22 0.00 0.02 0.00 0.00 55.97 56.17 3ab4 s LYS 129 Cb 0.00 -2.68 -0.05 0.00 -0.52 0.00 0.00 37.83 34.58 3ab4 s LYS 129 CO 0.00 0.33 0.66 0.42 -0.92 0.00 0.00 175.35 175.84 3ab4 s ILE 130 N -1.76 4.89 -0.28 2.17 1.01 0.16 -4.22 121.20 123.17 3ab4 s ILE 130 Ca 0.46 1.38 -0.05 0.00 0.00 0.00 0.00 60.65 62.45 3ab4 s ILE 130 Cb -0.12 -4.00 0.02 0.00 0.01 0.00 0.00 42.46 38.37 3ab4 s ILE 130 CO 0.20 0.37 0.03 0.00 0.00 0.00 0.00 174.94 175.54 3ab4 s ILE 132 N 1.42 5.33 -0.01 0.00 -1.09 -0.28 0.41 121.20 126.99 3ab4 s ILE 132 Ca 0.01 0.45 0.01 0.00 -2.23 0.00 0.00 60.65 58.88 3ab4 s ILE 132 Cb -0.17 -3.59 0.01 0.00 -1.58 0.00 0.00 42.46 37.12 3ab4 s ILE 132 CO 0.00 0.40 -0.02 0.54 -1.23 0.00 0.00 174.94 174.63 3ab4 s VAL 133 N 0.48 0.19 0.33 2.92 0.11 -0.31 0.13 120.40 124.24 3ab4 s VAL 133 Ca 0.14 -0.05 -0.03 0.00 -2.93 0.00 0.00 61.98 59.11 3ab4 s VAL 133 Cb -0.12 -0.20 -0.04 0.00 -1.53 0.00 0.00 36.38 34.48 3ab4 s VAL 133 CO 0.02 0.08 0.57 0.00 -3.33 0.00 0.00 175.10 172.45 3ab4 s ALA 134 N 0.25 3.63 -0.44 1.54 0.00 -0.80 -4.45 121.76 121.49 3ab4 s ALA 134 Ca -0.02 -0.68 -0.26 0.00 0.00 0.00 0.00 51.96 51.00 3ab4 s ALA 134 Cb -0.05 -2.26 0.04 0.00 0.00 0.00 0.00 23.12 20.85 3ab4 s ALA 134 CO -0.01 0.09 0.63 0.41 0.00 0.00 0.00 175.76 176.89 3ab4 n GLY 152 N -1.36 -0.68 3.84 0.00 0.00 -1.26 -4.80 105.19 100.92 3ab4 n GLY 152 Ca -0.03 1.22 -0.30 0.00 0.00 0.00 0.00 46.02 46.92 3ab4 n GLY 152 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ab4 s GLY 153 N -2.13 1.68 0.29 -0.02 0.00 -1.26 -4.84 107.32 101.05 3ab4 s GLY 153 Ca 0.31 -0.97 0.02 0.00 0.00 0.00 0.00 44.72 44.07 3ab4 s GLY 153 CO 0.82 -0.25 1.75 1.48 0.00 0.00 0.00 173.10 176.90 3ab4 h SER 154 N -1.74 0.51 -0.29 1.64 4.64 -2.00 -2.40 113.55 113.91 3ab4 h SER 154 Ca -0.46 -0.16 0.02 0.00 -0.47 0.00 0.00 61.79 60.73 3ab4 h SER 154 Cb 1.27 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 63.20 3ab4 h SER 154 CO 0.44 0.71 0.14 0.44 -0.87 0.00 0.00 176.83 177.70 3ab4 h ASP 155 N 0.47 0.21 -0.10 4.97 3.45 -1.96 -2.22 116.42 121.23 3ab4 h ASP 155 Ca 0.08 0.01 -0.11 0.00 0.43 0.00 0.00 57.03 57.44 3ab4 h ASP 155 Cb 0.59 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 39.32 3ab4 h ASP 155 CO 0.04 0.16 -0.30 0.74 -1.57 0.00 0.00 179.24 178.30 3ab4 h THR 156 N 0.30 1.28 -0.48 0.35 2.02 -1.87 -2.13 112.91 112.39 3ab4 h THR 156 Ca 0.12 -1.40 -0.07 0.00 0.77 0.00 0.00 66.41 65.83 3ab4 h THR 156 Cb 0.04 1.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 3ab4 h THR 156 CO -0.09 0.45 0.01 0.00 0.37 0.00 0.00 175.52 176.26 3ab4 h THR 157 N 0.50 1.24 0.02 3.16 1.03 -1.31 1.09 112.91 118.64 3ab4 h THR 157 Ca 0.06 -0.99 -0.00 0.00 -0.01 0.00 0.00 66.41 65.47 3ab4 h THR 157 Cb 0.78 0.87 0.00 0.00 -1.07 0.00 0.00 68.15 68.72 3ab4 h THR 157 CO 0.06 0.35 -0.01 0.00 -0.01 0.00 0.00 175.52 175.91 3ab4 h ALA 158 N 1.27 -0.02 -0.51 0.00 0.00 -1.02 0.55 119.26 119.52 3ab4 h ALA 158 Ca 0.15 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 3ab4 h ALA 158 Cb 0.44 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3ab4 h ALA 158 CO 0.02 -0.45 -0.10 0.28 0.00 0.00 0.00 179.25 179.00 3ab4 h VAL 159 N -0.15 1.26 0.02 0.00 2.07 -1.23 -1.37 116.25 116.85 3ab4 h VAL 159 Ca -0.00 -1.23 0.03 0.00 0.82 0.00 0.00 66.70 66.32 3ab4 h VAL 159 Cb 0.14 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 3ab4 h VAL 159 CO 0.00 0.43 -0.31 0.00 0.02 0.00 0.00 177.57 177.71 3ab4 h ALA 160 N 1.02 -0.46 -0.53 1.67 0.00 0.15 -0.08 119.26 121.03 3ab4 h ALA 160 Ca 0.14 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.09 3ab4 h ALA 160 Cb 0.64 0.54 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 3ab4 h ALA 160 CO 0.04 -0.83 0.35 -0.07 0.00 0.00 0.00 179.25 178.75 3ab4 h LEU 161 N -0.47 0.41 -0.42 0.00 3.38 0.24 -1.92 115.31 116.53 3ab4 h LEU 161 Ca 0.06 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.86 3ab4 h LEU 161 Cb 0.55 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3ab4 h LEU 161 CO -0.25 0.27 -0.79 0.00 0.09 0.00 0.00 178.44 177.75 3ab4 h ALA 162 N 1.72 0.68 0.10 1.53 0.00 -0.58 -1.80 119.26 120.90 3ab4 h ALA 162 Ca 0.23 -0.71 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 3ab4 h ALA 162 Cb 0.31 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3ab4 h ALA 162 CO -0.06 0.96 -0.05 0.00 0.00 0.00 0.00 179.25 180.10 3ab4 h ALA 163 N 1.18 -0.13 -0.22 0.00 0.00 -0.39 0.27 119.26 119.97 3ab4 h ALA 163 Ca -0.01 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.69 3ab4 h ALA 163 Cb 1.40 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 3ab4 h ALA 163 CO 0.11 -0.34 0.12 0.00 0.00 0.00 0.00 179.25 179.14 3ab4 h ALA 164 N 0.23 0.27 0.00 0.00 0.00 -1.37 -1.81 119.26 116.57 3ab4 h ALA 164 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ab4 h ALA 164 Cb 0.48 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3ab4 h ALA 164 CO 0.02 -0.29 0.00 1.28 0.00 0.00 0.00 179.25 180.27 3ab4 n LEU 165 N -4.98 0.00 -3.66 0.00 4.77 -0.68 -4.94 117.00 107.51 3ab4 n LEU 165 Ca -0.03 0.32 -0.26 0.00 -0.03 0.00 0.00 56.01 56.01 3ab4 n LEU 165 Cb 0.05 -0.32 0.04 0.00 -2.33 0.00 0.00 43.42 40.85 3ab4 n LEU 165 CO 0.32 -0.01 -0.08 -3.20 -1.33 0.00 0.00 177.39 173.09 3ab4 n ASN 166 N -1.32 -3.90 -4.76 -1.43 5.15 -0.68 -4.97 115.26 103.36 3ab4 n ASN 166 Ca 0.13 -0.93 -0.34 0.00 -0.60 0.00 0.00 54.58 52.84 3ab4 n ASN 166 Cb 0.25 -3.74 0.05 0.00 -0.53 0.00 0.00 39.78 35.80 3ab4 n ASN 166 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ab4 s ALA 167 N -3.56 2.42 0.12 5.20 0.00 0.90 -4.96 121.76 121.88 3ab4 s ALA 167 Ca 0.30 0.76 0.07 0.00 0.00 0.00 0.00 51.96 53.09 3ab4 s ALA 167 Cb -0.09 -3.39 -0.21 0.00 0.00 0.00 0.00 23.12 19.43 3ab4 s ALA 167 CO 0.84 -1.34 1.27 -0.44 0.00 0.00 0.00 175.76 176.09 3ab4 h ASP 168 N 0.27 0.01 -4.96 0.00 3.32 -1.64 -3.46 116.42 109.96 3ab4 h ASP 168 Ca -0.48 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 56.43 3ab4 h ASP 168 Cb 1.27 -0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.61 3ab4 h ASP 168 CO 0.53 1.01 -0.34 -0.69 -1.72 0.00 0.00 179.24 178.03 3ab4 s VAL 169 N -2.71 0.06 -0.32 -1.35 1.01 -1.23 -4.55 120.40 111.32 3ab4 s VAL 169 Ca 0.01 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.49 3ab4 s VAL 169 Cb 0.10 -0.55 0.09 0.00 0.00 0.00 0.00 36.38 36.01 3ab4 s VAL 169 CO 0.82 -0.29 0.02 0.00 0.00 0.00 0.00 175.10 175.65 3ab4 s GLU 171 N 0.98 4.48 -0.30 0.00 2.02 0.12 -2.00 118.70 123.99 3ab4 s GLU 171 Ca 0.05 1.18 -0.07 0.00 0.02 0.00 0.00 54.97 56.15 3ab4 s GLU 171 Cb -0.20 -3.47 0.01 0.00 0.10 0.00 0.00 34.13 30.57 3ab4 s GLU 171 CO -0.07 -0.06 0.09 0.42 0.02 0.00 0.00 175.26 175.66 3ab4 s ILE 172 N 1.13 3.98 -0.15 -1.63 1.09 0.60 0.58 121.20 126.81 3ab4 s ILE 172 Ca 0.45 -0.75 -0.08 0.00 -1.10 0.00 0.00 60.65 59.17 3ab4 s ILE 172 Cb -0.19 -3.09 -0.04 0.00 -1.06 0.00 0.00 42.46 38.08 3ab4 s ILE 172 CO 0.22 0.03 0.13 -0.31 -0.10 0.00 0.00 174.94 174.91 3ab4 s TYR 173 N 1.49 3.52 0.00 3.97 2.02 0.20 -1.72 117.35 126.83 3ab4 s TYR 173 Ca 0.02 0.45 0.00 0.00 -0.37 0.00 0.00 57.07 57.17 3ab4 s TYR 173 Cb -0.18 -2.01 0.00 0.00 -0.40 0.00 0.00 41.96 39.38 3ab4 s TYR 173 CO 0.03 0.58 0.00 -1.13 -1.57 0.00 0.00 175.55 173.46 3ab4 n SER 174 N 2.49 0.00 0.00 2.29 3.41 -0.95 -1.81 113.62 119.06 3ab4 n SER 174 Ca -0.19 -0.56 0.14 0.00 -0.26 0.00 0.00 58.87 58.00 3ab4 n SER 174 Cb 0.54 0.00 0.67 0.00 -0.26 0.00 0.00 64.21 65.16 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 -0.85 0.00 -4.73 4.04 5.68 -1.26 -1.40 116.55 118.03 3ab4 n ASP 175 Ca 0.00 0.21 -0.37 0.00 -0.50 0.00 0.00 54.79 54.13 3ab4 n ASP 175 Cb 0.00 -0.40 -0.06 0.00 -1.14 0.00 0.00 41.12 39.51 3ab4 n ASP 175 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 3ab4 s VAL 176 N -2.80 5.23 -2.12 2.12 -7.23 -1.26 -4.91 120.40 109.42 3ab4 s VAL 176 Ca 0.20 0.79 0.15 0.00 -1.81 0.00 0.00 61.98 61.31 3ab4 s VAL 176 Cb 0.19 -3.74 0.38 0.00 0.56 0.00 0.00 36.38 33.77 3ab4 s VAL 176 CO 0.49 0.36 1.42 -0.90 -0.31 0.00 0.00 175.10 176.16 3ab4 n ASP 177 N 3.57 1.39 0.00 4.85 5.68 -1.26 -3.38 116.55 127.40 3ab4 n ASP 177 Ca -0.09 -1.80 0.00 0.00 -0.50 0.00 0.00 54.79 52.40 3ab4 n ASP 177 Cb 0.52 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.37 3ab4 n ASP 177 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ab4 n GLY 178 N 1.01 -1.43 3.42 6.12 0.00 -1.26 -4.13 105.19 108.92 3ab4 n GLY 178 Ca 0.13 -1.01 -0.36 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.73 4.12 0.38 1.61 0.11 -1.26 -4.96 120.40 117.67 3ab4 s VAL 179 Ca 0.00 -0.24 0.01 0.00 -2.93 0.00 0.00 61.98 58.82 3ab4 s VAL 179 Cb 0.00 -2.92 -0.02 0.00 -1.53 0.00 0.00 36.38 31.91 3ab4 s VAL 179 CO 0.00 0.35 0.58 -0.31 -3.33 0.00 0.00 175.10 172.39 3ab4 s TYR 180 N 1.59 3.35 0.17 1.54 2.02 -1.26 -1.37 117.35 123.39 3ab4 s TYR 180 Ca 0.06 0.24 0.29 0.00 -0.37 0.00 0.00 57.07 57.30 3ab4 s TYR 180 Cb -0.15 -2.06 1.23 0.00 -0.40 0.00 0.00 41.96 40.58 3ab4 s TYR 180 CO 0.02 -0.07 1.94 1.79 -1.57 0.00 0.00 175.55 177.66 3ab4 h THR 181 N 0.63 0.28 -2.74 -0.71 1.35 -1.30 -3.43 112.91 106.99 3ab4 h THR 181 Ca -0.48 -0.74 0.08 0.00 -0.55 0.00 0.00 66.41 64.72 3ab4 h THR 181 Cb 1.24 1.58 -0.09 0.00 -1.73 0.00 0.00 68.15 69.15 3ab4 h THR 181 CO 0.59 0.10 0.32 0.00 -0.25 0.00 0.00 175.52 176.28 3ab4 s ALA 182 N -3.74 -1.50 -0.14 6.62 0.00 -1.26 0.73 121.76 122.48 3ab4 s ALA 182 Ca 0.00 0.16 -0.33 0.00 0.00 0.00 0.00 51.96 51.80 3ab4 s ALA 182 Cb 0.10 0.75 -0.10 0.00 0.00 0.00 0.00 23.12 23.87 3ab4 s ALA 182 CO 0.58 -0.93 1.99 -3.47 0.00 0.00 0.00 175.76 173.93 3ab4 n ASP 183 N -0.42 3.30 0.29 0.00 -0.08 -1.26 -4.77 116.55 113.62 3ab4 n ASP 183 Ca -0.08 0.76 0.17 0.00 -1.51 0.00 0.00 54.79 54.14 3ab4 n ASP 183 Cb 0.61 -1.40 0.88 0.00 2.34 0.00 0.00 41.12 43.55 3ab4 n ASP 183 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3ab4 h PRO 184 N 10.75 0.00 -0.23 -0.67 0.13 -1.87 0.31 132.00 140.42 3ab4 h PRO 184 Ca -0.44 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.54 3ab4 h PRO 184 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 3ab4 h PRO 184 CO 0.96 0.04 -0.47 0.00 -0.23 0.00 0.00 178.00 178.31 3ab4 h ARG 185 N 0.00 0.59 0.10 0.86 2.47 -1.96 -3.23 114.38 113.21 3ab4 h ARG 185 Ca -0.00 -0.33 -0.37 0.00 -1.26 0.00 0.00 59.98 58.02 3ab4 h ARG 185 Cb 0.28 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.59 3ab4 h ARG 185 CO 0.01 0.93 -2.09 -0.89 0.56 0.00 0.00 179.97 178.49 3ab4 n ILE 186 N -4.00 1.72 -3.74 2.04 2.08 -0.82 -4.70 119.36 111.94 3ab4 n ILE 186 Ca -0.02 -0.65 -0.36 0.00 0.56 0.00 0.00 62.75 62.28 3ab4 n ILE 186 Cb 0.56 -1.64 -0.11 0.00 -0.75 0.00 0.00 39.64 37.70 3ab4 n ILE 186 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 3ab4 s VAL 187 N -2.55 3.52 0.52 1.39 1.01 0.10 -4.88 120.40 119.51 3ab4 s VAL 187 Ca -0.24 -2.53 0.18 0.00 0.00 0.00 0.00 61.98 59.39 3ab4 s VAL 187 Cb 0.07 -3.35 0.27 0.00 0.00 0.00 0.00 36.38 33.37 3ab4 s VAL 187 CO 0.74 -0.79 2.14 -0.65 0.00 0.00 0.00 175.10 176.54 3ab4 h PRO 188 N 7.52 0.00 0.00 2.72 0.11 -1.81 0.73 132.00 141.26 3ab4 h PRO 188 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3ab4 h PRO 188 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3ab4 h PRO 188 CO 0.71 0.03 0.00 -1.71 -0.21 0.00 0.00 178.00 176.82 3ab4 n ASN 189 N -4.40 0.24 -4.65 -2.05 2.85 -1.26 -4.88 115.26 101.11 3ab4 n ASN 189 Ca -0.03 0.53 -0.53 0.00 -0.11 0.00 0.00 54.58 54.44 3ab4 n ASN 189 Cb 0.11 -0.59 -0.06 0.00 1.24 0.00 0.00 39.78 40.48 3ab4 n ASN 189 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3ab4 n ALA 190 N -1.59 -0.16 -2.64 5.20 0.00 0.25 -4.96 120.51 116.60 3ab4 n ALA 190 Ca 0.06 0.43 -0.27 0.00 0.00 0.00 0.00 53.44 53.66 3ab4 n ALA 190 Cb 0.34 -2.22 -0.08 0.00 0.00 0.00 0.00 19.45 17.49 3ab4 n ALA 190 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 3ab4 s GLN 191 N 2.06 2.34 -0.01 0.00 -2.07 -1.26 -4.78 119.66 115.94 3ab4 s GLN 191 Ca 0.90 -1.10 -0.30 0.00 -1.82 0.00 0.00 55.36 53.04 3ab4 s GLN 191 Cb -0.92 -2.34 -0.06 0.00 -1.09 0.00 0.00 33.01 28.59 3ab4 s GLN 191 CO 0.53 0.46 1.54 0.21 -1.32 0.00 0.00 175.29 176.72 3ab4 s LYS 192 N -2.80 4.22 0.43 9.60 2.20 -1.26 -0.93 119.74 131.21 3ab4 s LYS 192 Ca 0.26 2.12 -0.24 0.00 -0.36 0.00 0.00 55.97 57.75 3ab4 s LYS 192 Cb -0.10 -3.72 -0.08 0.00 -1.51 0.00 0.00 37.83 32.43 3ab4 s LYS 192 CO 0.18 -0.71 1.22 -0.48 -0.36 0.00 0.00 175.35 175.19 3ab4 s LEU 193 N 3.03 4.10 -0.06 5.43 0.05 -0.47 -4.94 118.68 125.82 3ab4 s LEU 193 Ca 0.69 2.44 -0.08 0.00 0.05 0.00 0.00 54.13 57.23 3ab4 s LEU 193 Cb -0.34 -4.09 -0.29 0.00 -2.05 0.00 0.00 46.19 39.42 3ab4 s LEU 193 CO 0.28 -0.88 0.62 -0.33 -0.55 0.00 0.00 176.35 175.50 3ab4 h GLU 194 N 2.34 0.34 -2.85 1.48 4.39 -1.88 -3.38 114.58 115.01 3ab4 h GLU 194 Ca -0.49 -0.58 -0.10 0.00 0.34 0.00 0.00 59.36 58.53 3ab4 h GLU 194 Cb 1.25 0.21 -0.19 0.00 -0.10 0.00 0.00 28.75 29.92 3ab4 h GLU 194 CO 0.61 1.25 -0.16 0.21 -1.16 0.00 0.00 179.01 179.76 3ab4 s LYS 195 N -2.58 0.79 0.22 2.33 2.20 -1.26 -1.34 119.74 120.10 3ab4 s LYS 195 Ca -0.16 -0.15 -0.21 0.00 -0.36 0.00 0.00 55.97 55.09 3ab4 s LYS 195 Cb 0.06 0.35 0.04 0.00 -1.51 0.00 0.00 37.83 36.77 3ab4 s LYS 195 CO 0.83 -0.23 0.64 -0.48 -0.36 0.00 0.00 175.35 175.75 3ab4 s LEU 196 N -1.44 -0.31 0.57 5.43 0.05 -0.94 -4.96 118.68 117.08 3ab4 s LEU 196 Ca -0.11 -0.38 -0.09 0.00 0.05 0.00 0.00 54.13 53.59 3ab4 s LEU 196 Cb -0.03 2.58 -0.04 0.00 -2.05 0.00 0.00 46.19 46.64 3ab4 s LEU 196 CO 0.04 -1.17 0.95 -0.94 -0.55 0.00 0.00 176.35 174.68 3ab4 s SER 197 N -2.85 6.25 0.20 1.48 1.04 -1.26 -2.96 113.70 115.60 3ab4 s SER 197 Ca 0.07 1.26 -0.11 0.00 0.48 0.00 0.00 55.95 57.64 3ab4 s SER 197 Cb -0.03 -2.40 0.26 0.00 0.10 0.00 0.00 66.02 63.95 3ab4 s SER 197 CO -0.02 -0.76 1.69 -0.26 0.98 0.00 0.00 173.24 174.87 3ab4 h PHE 198 N -0.10 0.05 -0.39 5.02 0.04 -0.86 -1.72 116.94 118.97 3ab4 h PHE 198 Ca -0.45 0.04 -0.04 0.00 2.80 0.00 0.00 57.97 60.32 3ab4 h PHE 198 Cb 1.19 0.06 -0.02 0.00 2.20 0.00 0.00 35.95 39.39 3ab4 h PHE 198 CO 0.63 -0.10 0.10 0.93 -0.60 0.00 0.00 178.31 179.28 3ab4 h GLU 199 N 0.17 0.62 -0.23 1.51 4.39 -1.94 0.43 114.58 119.53 3ab4 h GLU 199 Ca 0.29 -0.15 0.03 0.00 0.34 0.00 0.00 59.36 59.88 3ab4 h GLU 199 Cb 0.45 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.99 3ab4 h GLU 199 CO -0.44 0.64 0.03 0.93 -1.16 0.00 0.00 179.01 179.01 3ab4 h GLU 200 N 0.49 0.11 -0.38 2.33 5.08 -1.87 0.32 114.58 120.67 3ab4 h GLU 200 Ca 0.12 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 3ab4 h GLU 200 Cb 0.29 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 3ab4 h GLU 200 CO -0.00 0.07 0.21 1.98 -1.00 0.00 0.00 179.01 180.28 3ab4 h MET 201 N 0.11 0.53 -0.76 2.33 4.05 -0.99 -0.61 114.93 119.59 3ab4 h MET 201 Ca 0.11 -0.06 0.15 0.00 -0.28 0.00 0.00 59.70 59.62 3ab4 h MET 201 Cb 0.12 -0.10 -0.10 0.00 -0.80 0.00 0.00 31.60 30.71 3ab4 h MET 201 CO -0.16 0.42 0.26 1.25 0.23 0.00 0.00 176.91 178.92 3ab4 h LEU 202 N 0.49 0.19 -0.17 3.39 5.85 0.39 0.14 115.31 125.58 3ab4 h LEU 202 Ca 0.13 0.12 -0.13 0.00 0.84 0.00 0.00 57.88 58.85 3ab4 h LEU 202 Cb 0.05 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.21 3ab4 h LEU 202 CO -0.02 0.05 -0.41 -0.08 -0.34 0.00 0.00 178.44 177.63 3ab4 h GLU 203 N 0.38 0.58 0.18 1.25 4.57 0.25 -0.75 114.58 121.04 3ab4 h GLU 203 Ca 0.42 -0.40 0.01 0.00 -1.18 0.00 0.00 59.36 58.22 3ab4 h GLU 203 Cb 0.69 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.31 3ab4 h GLU 203 CO -0.45 1.01 -0.22 -0.07 -1.18 0.00 0.00 179.01 178.11 3ab4 h LEU 204 N 0.24 -0.59 -1.95 1.64 3.38 -0.84 -2.75 115.31 114.43 3ab4 h LEU 204 Ca -0.00 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3ab4 h LEU 204 Cb 1.02 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 3ab4 h LEU 204 CO 0.09 -0.32 -0.03 0.00 0.09 0.00 0.00 178.44 178.27 3ab4 h ALA 205 N 0.29 1.94 0.00 1.53 0.00 -0.95 -1.32 119.26 120.75 3ab4 h ALA 205 Ca 0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3ab4 h ALA 205 Cb 0.44 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3ab4 h ALA 205 CO -0.08 0.04 -0.06 0.00 0.00 0.00 0.00 179.25 179.15 3ab4 h ALA 206 N 1.97 1.02 0.00 0.00 0.00 -0.84 -3.35 119.26 118.06 3ab4 h ALA 206 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3ab4 h ALA 206 Cb 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3ab4 h ALA 206 CO 0.00 0.07 -0.27 0.28 0.00 0.00 0.00 179.25 179.34 3ab4 n VAL 207 N -3.19 0.58 0.00 0.00 0.31 -0.59 -5.01 118.33 110.42 3ab4 n VAL 207 Ca 0.00 -0.68 0.00 0.00 -0.01 0.00 0.00 64.34 63.65 3ab4 n VAL 207 Cb 0.32 0.36 0.00 0.00 -0.91 0.00 0.00 33.84 33.61 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 -0.42 0.89 3.70 2.92 0.00 -0.63 -4.40 105.19 107.24 3ab4 n GLY 208 Ca 0.04 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 3ab4 n GLY 208 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ab4 s SER 209 N 0.00 6.98 -0.04 1.61 0.15 -1.00 -4.73 113.70 116.67 3ab4 s SER 209 Ca 0.00 2.07 0.19 0.00 0.70 0.00 0.00 55.95 58.90 3ab4 s SER 209 Cb 0.00 -2.57 0.59 0.00 -1.71 0.00 0.00 66.02 62.33 3ab4 s SER 209 CO 0.00 -0.57 1.50 2.29 1.20 0.00 0.00 173.24 177.66 3ab4 n LYS 210 N 4.40 3.06 -0.01 5.44 0.00 -1.26 -4.38 118.16 125.41 3ab4 n LYS 210 Ca 0.11 -2.61 -0.10 0.00 -0.00 0.00 0.00 58.31 55.71 3ab4 n LYS 210 Cb 0.45 -1.61 0.05 0.00 -0.00 0.00 0.00 35.03 33.92 3ab4 n LYS 210 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.40 178.37 3ab4 h ILE 211 N 3.64 1.31 -3.94 0.58 6.09 -1.97 -3.43 117.51 119.80 3ab4 h ILE 211 Ca 0.00 -1.74 -0.69 0.00 -1.37 0.00 0.00 64.86 61.06 3ab4 h ILE 211 Cb 1.09 1.70 -0.22 0.00 0.47 0.00 0.00 36.82 39.86 3ab4 h ILE 211 CO 0.08 0.55 -0.86 -0.76 -3.07 0.00 0.00 178.15 174.08 3ab4 s LEU 212 N -8.43 2.35 0.11 2.19 2.01 -1.26 -5.09 118.68 110.56 3ab4 s LEU 212 Ca -0.08 -0.70 -0.31 0.00 0.01 0.00 0.00 54.13 53.05 3ab4 s LEU 212 Cb 0.11 -1.27 -0.08 0.00 0.01 0.00 0.00 46.19 44.97 3ab4 s LEU 212 CO 0.84 0.19 1.36 -0.69 1.01 0.00 0.00 176.35 179.07 3ab4 s VAL 213 N -1.03 3.39 0.22 -1.59 1.01 -1.26 -4.93 120.40 116.21 3ab4 s VAL 213 Ca 0.14 1.00 -0.08 0.00 0.00 0.00 0.00 61.98 63.05 3ab4 s VAL 213 Cb -0.10 -3.64 0.18 0.00 0.00 0.00 0.00 36.38 32.82 3ab4 s VAL 213 CO 0.06 0.08 1.72 -0.07 0.00 0.00 0.00 175.10 176.89 3ab4 h LEU 214 N 6.75 0.17 -0.63 3.92 3.38 -1.96 -2.02 115.31 124.92 3ab4 h LEU 214 Ca -0.42 0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.67 3ab4 h LEU 214 Cb 1.21 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 42.03 3ab4 h LEU 214 CO 0.85 0.08 0.40 -0.09 0.09 0.00 0.00 178.44 179.78 3ab4 h ARG 215 N 0.37 0.78 0.00 1.13 9.65 -2.00 -1.02 114.38 123.30 3ab4 h ARG 215 Ca 0.35 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 59.16 3ab4 h ARG 215 Cb 0.50 -0.18 -0.00 0.00 -1.39 0.00 0.00 29.97 28.91 3ab4 h ARG 215 CO -0.38 0.52 -0.10 0.66 2.80 0.00 0.00 179.97 183.47 3ab4 h SER 216 N 0.81 0.00 0.26 -3.80 4.64 -1.72 -0.55 113.55 113.18 3ab4 h SER 216 Ca 0.24 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.28 3ab4 h SER 216 Cb -0.03 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.08 3ab4 h SER 216 CO -0.08 0.10 -1.21 0.58 -0.87 0.00 0.00 176.83 175.35 3ab4 h VAL 217 N 0.00 1.34 -0.53 0.95 2.07 -1.00 -2.57 116.25 116.51 3ab4 h VAL 217 Ca -0.00 -2.57 -0.09 0.00 0.82 0.00 0.00 66.70 64.86 3ab4 h VAL 217 Cb 0.21 2.71 -0.02 0.00 -1.52 0.00 0.00 31.29 32.67 3ab4 h VAL 217 CO 0.01 0.77 -0.02 -0.08 0.02 0.00 0.00 177.57 178.28 3ab4 h GLU 218 N 0.23 0.91 -0.22 1.57 4.57 -0.40 -0.60 114.58 120.64 3ab4 h GLU 218 Ca -0.16 -0.27 0.02 0.00 -1.18 0.00 0.00 59.36 57.76 3ab4 h GLU 218 Cb 1.88 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 30.36 3ab4 h GLU 218 CO 0.22 0.91 0.08 1.88 -1.18 0.00 0.00 179.01 180.93 3ab4 h TYR 219 N 0.84 0.15 -0.72 0.92 0.99 -1.20 0.57 116.97 118.52 3ab4 h TYR 219 Ca 0.15 0.01 0.05 0.00 2.00 0.00 0.00 58.73 60.94 3ab4 h TYR 219 Cb 0.52 -0.04 -0.05 0.00 1.00 0.00 0.00 36.73 38.16 3ab4 h TYR 219 CO 0.03 0.08 0.44 0.00 -0.00 0.00 0.00 178.16 178.71 3ab4 h ALA 220 N 1.13 0.97 -0.55 3.88 0.00 -1.01 0.17 119.26 123.83 3ab4 h ALA 220 Ca 0.09 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3ab4 h ALA 220 Cb 0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3ab4 h ALA 220 CO -0.09 0.17 0.20 -0.09 0.00 0.00 0.00 179.25 179.45 3ab4 h ARG 221 N 0.82 0.84 -0.15 0.00 2.43 -1.02 0.52 114.38 117.82 3ab4 h ARG 221 Ca 0.31 -0.16 -0.05 0.00 -0.81 0.00 0.00 59.98 59.27 3ab4 h ARG 221 Cb 0.11 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3ab4 h ARG 221 CO -0.15 0.74 -0.09 0.00 -1.51 0.00 0.00 179.97 178.96 3ab4 h ALA 222 N 1.05 0.21 -0.93 2.80 0.00 0.42 -3.10 119.26 119.72 3ab4 h ALA 222 Ca 0.18 -0.28 -0.48 0.00 0.00 0.00 0.00 54.91 54.33 3ab4 h ALA 222 Cb 0.23 -0.05 -0.28 0.00 0.00 0.00 0.00 17.79 17.69 3ab4 h ALA 222 CO -0.01 0.04 0.60 1.19 0.00 0.00 0.00 179.25 181.07 3ab4 n PHE 223 N -4.62 2.85 -3.90 0.00 3.01 0.46 -4.96 117.46 110.31 3ab4 n PHE 223 Ca -0.06 -1.74 -0.29 0.00 1.01 0.00 0.00 57.45 56.38 3ab4 n PHE 223 Cb 0.31 -0.90 -0.01 0.00 -0.01 0.00 0.00 39.48 38.88 3ab4 n PHE 223 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 3ab4 n ASN 224 N -1.01 -1.75 -4.35 4.37 4.05 -0.90 -4.88 115.26 110.79 3ab4 n ASN 224 Ca 0.55 -0.87 -0.40 0.00 0.45 0.00 0.00 54.58 54.31 3ab4 n ASN 224 Cb 1.59 -1.06 -0.11 0.00 1.23 0.00 0.00 39.78 41.43 3ab4 n ASN 224 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 3ab4 s VAL 225 N -3.99 4.43 0.36 3.44 1.01 0.18 -5.02 120.40 120.81 3ab4 s VAL 225 Ca 0.24 -0.99 -0.28 0.00 0.00 0.00 0.00 61.98 60.95 3ab4 s VAL 225 Cb -0.13 -3.52 -0.10 0.00 0.00 0.00 0.00 36.38 32.62 3ab4 s VAL 225 CO 0.66 -0.28 1.36 -2.84 0.00 0.00 0.00 175.10 174.00 3ab4 s PRO 226 N 1.52 4.20 0.29 2.72 0.02 -1.26 -4.62 135.00 137.86 3ab4 s PRO 226 Ca 0.02 2.31 0.09 0.00 0.02 0.00 0.00 61.00 63.43 3ab4 s PRO 226 Cb -0.20 -2.97 -0.04 0.00 0.02 0.00 0.00 34.50 31.31 3ab4 s PRO 226 CO 0.06 -0.36 0.07 -0.51 -0.33 0.00 0.00 177.00 175.93 3ab4 s LEU 227 N -2.02 3.30 -0.06 -5.54 1.43 0.12 -1.58 118.68 114.32 3ab4 s LEU 227 Ca 0.52 -0.63 -0.01 0.00 -1.03 0.00 0.00 54.13 52.98 3ab4 s LEU 227 Cb -0.41 -1.81 0.03 0.00 0.03 0.00 0.00 46.19 44.03 3ab4 s LEU 227 CO 0.55 -0.10 -0.00 -0.60 0.23 0.00 0.00 176.35 176.43 3ab4 s ARG 228 N -3.75 0.57 -0.40 1.70 3.52 -0.85 -0.48 118.95 119.26 3ab4 s ARG 228 Ca 0.34 0.08 -0.22 0.00 -0.13 0.00 0.00 55.73 55.80 3ab4 s ARG 228 Cb -0.05 -0.86 0.01 0.00 -1.56 0.00 0.00 34.95 32.49 3ab4 s ARG 228 CO 0.21 -0.25 0.70 0.08 -0.81 0.00 0.00 175.30 175.24 3ab4 s VAL 229 N 1.68 4.78 0.20 7.11 1.01 -0.41 -0.30 120.40 134.49 3ab4 s VAL 229 Ca 0.00 0.49 0.07 0.00 0.00 0.00 0.00 61.98 62.54 3ab4 s VAL 229 Cb -0.13 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 32.01 3ab4 s VAL 229 CO -0.04 -0.51 -0.13 -0.13 0.00 0.00 0.00 175.10 174.30 3ab4 s ARG 230 N 2.96 1.31 0.01 2.72 0.52 -0.70 -2.07 118.95 123.69 3ab4 s ARG 230 Ca 0.27 -1.59 -0.08 0.00 -0.52 0.00 0.00 55.73 53.81 3ab4 s ARG 230 Cb -0.13 -1.04 -0.05 0.00 0.52 0.00 0.00 34.95 34.25 3ab4 s ARG 230 CO 0.18 0.15 0.30 0.45 0.02 0.00 0.00 175.30 176.40 3ab4 s SER 231 N -3.31 6.54 0.00 0.23 0.15 -1.22 -2.23 113.70 113.87 3ab4 s SER 231 Ca 0.22 0.64 0.18 0.00 0.70 0.00 0.00 55.95 57.69 3ab4 s SER 231 Cb 0.00 -2.12 0.69 0.00 -1.71 0.00 0.00 66.02 62.88 3ab4 s SER 231 CO 0.06 0.26 1.49 -1.54 1.20 0.00 0.00 173.24 174.72 3ab4 n SER 232 N 1.23 1.39 -0.30 5.45 3.41 -0.49 -3.96 113.62 120.35 3ab4 n SER 232 Ca -0.12 -1.73 0.05 0.00 -0.26 0.00 0.00 58.87 56.81 3ab4 n SER 232 Cb 0.53 -0.11 0.02 0.00 -0.26 0.00 0.00 64.21 64.39 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 0.16 0.00 -3.77 7.33 4.01 -1.26 -4.90 117.16 118.73 3ab4 n TYR 233 Ca 0.14 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.79 3ab4 n TYR 233 Cb 0.27 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.26 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 -1.02 -0.23 0.00 7.72 1.04 -1.25 -5.07 113.70 114.88 3ab4 s SER 234 Ca 0.09 -0.54 0.23 0.00 0.48 0.00 0.00 55.95 56.22 3ab4 s SER 234 Cb 0.08 0.58 0.51 0.00 0.10 0.00 0.00 66.02 67.28 3ab4 s SER 234 CO 0.17 -1.06 1.44 0.59 0.98 0.00 0.00 173.24 175.35 3ab4 n ASN 235 N -0.34 2.77 -4.72 7.02 3.02 -1.26 -4.64 115.26 117.11 3ab4 n ASN 235 Ca -0.09 -1.89 -0.43 0.00 -0.03 0.00 0.00 54.58 52.15 3ab4 n ASN 235 Cb 0.62 -0.14 -0.02 0.00 -0.61 0.00 0.00 39.78 39.63 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 1.07 3.56 0.15 6.41 2.03 -1.26 -4.89 116.55 123.63 3ab4 n ASP 236 Ca 0.17 1.13 0.12 0.00 0.52 0.00 0.00 54.79 56.73 3ab4 n ASP 236 Cb 0.52 -1.54 0.55 0.00 -0.72 0.00 0.00 41.12 39.93 3ab4 n ASP 236 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3ab4 h PRO 237 N 5.00 0.00 0.00 -0.67 0.13 -1.92 -3.42 132.00 131.12 3ab4 h PRO 237 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3ab4 h PRO 237 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3ab4 h PRO 237 CO 0.81 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.99 3ab4 n GLY 238 N -0.47 -0.03 3.55 1.56 0.00 -1.26 -4.77 105.19 103.77 3ab4 n GLY 238 Ca 0.01 -0.97 -0.34 0.00 0.00 0.00 0.00 46.02 44.71 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 4.33 -0.00 2.61 2.01 -0.88 -4.78 115.64 118.92 3ab4 s THR 239 Ca 0.00 -0.19 -0.26 0.00 0.31 0.00 0.00 61.69 61.55 3ab4 s THR 239 Cb 0.00 -2.94 -0.04 0.00 0.01 0.00 0.00 72.50 69.53 3ab4 s THR 239 CO 0.00 0.45 0.81 -0.22 -0.69 0.00 0.00 174.62 174.98 3ab4 s LEU 240 N 0.57 4.38 -0.21 4.42 2.96 -0.45 -1.28 118.68 129.07 3ab4 s LEU 240 Ca 0.01 1.44 -0.00 0.00 -0.22 0.00 0.00 54.13 55.35 3ab4 s LEU 240 Cb -0.14 -3.29 0.02 0.00 0.50 0.00 0.00 46.19 43.28 3ab4 s LEU 240 CO 0.02 -0.11 -0.13 -0.51 -1.32 0.00 0.00 176.35 174.30 3ab4 s ILE 241 N 0.53 2.45 0.00 6.68 2.07 0.36 -2.22 121.20 131.08 3ab4 s ILE 241 Ca 0.42 -1.00 0.00 0.00 -1.41 0.00 0.00 60.65 58.66 3ab4 s ILE 241 Cb -0.20 -2.16 0.00 0.00 0.13 0.00 0.00 42.46 40.23 3ab4 s ILE 241 CO 0.23 0.36 0.00 0.00 -1.91 0.00 0.00 174.94 173.62 3ab4 n ALA 242 N 4.63 0.40 -1.77 1.50 0.00 -1.15 0.14 120.51 124.25 3ab4 n ALA 242 Ca -0.19 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.86 3ab4 n ALA 242 Cb 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.92 3ab4 n ALA 242 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3ab4 s GLY 243 N -1.53 2.93 0.11 0.00 0.00 -1.25 -4.77 107.32 102.80 3ab4 s GLY 243 Ca 0.00 1.15 -0.20 0.00 0.00 0.00 0.00 44.72 45.67 3ab4 s GLY 243 CO 0.00 1.73 0.62 -0.45 0.00 0.00 0.00 173.10 174.99 3ab4 s SER 244 N -0.81 7.10 0.43 1.64 0.15 -1.26 -0.16 113.70 120.79 3ab4 s SER 244 Ca 0.55 1.33 0.28 0.00 0.70 0.00 0.00 55.95 58.81 3ab4 s SER 244 Cb -0.36 -2.38 0.87 0.00 -1.71 0.00 0.00 66.02 62.44 3ab4 s SER 244 CO 0.46 0.23 1.79 0.00 1.20 0.00 0.00 173.24 176.92 3ab4 h MET 245 N 4.32 0.00 0.00 5.44 -0.00 -1.95 -2.71 114.93 120.02 3ab4 h MET 245 Ca -0.49 0.00 -0.06 0.00 -0.00 0.00 0.00 59.70 59.15 3ab4 h MET 245 Cb 1.21 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.80 3ab4 h MET 245 CO 0.64 0.00 -0.29 1.05 -0.00 0.00 0.00 176.91 178.31 3ab4 h GLU 246 N 0.00 0.00 0.00 -0.10 4.11 -2.02 -3.03 114.58 113.54 3ab4 h GLU 246 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 3ab4 h GLU 246 Cb 0.70 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 3ab4 h GLU 246 CO 0.00 0.29 -0.13 -0.44 0.07 0.00 0.00 179.01 178.80 3ab4 h ASP 247 N 0.00 0.00 -3.23 3.06 3.45 -1.91 -3.46 116.42 114.34 3ab4 h ASP 247 Ca -0.00 0.00 -0.53 0.00 0.43 0.00 0.00 57.03 56.93 3ab4 h ASP 247 Cb 0.80 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 39.58 3ab4 h ASP 247 CO 0.04 0.09 0.61 0.27 -1.57 0.00 0.00 179.24 178.68 3ab4 s ILE 248 N -3.17 3.69 0.59 0.35 -4.36 -1.15 -4.98 121.20 112.17 3ab4 s ILE 248 Ca 0.06 1.27 -0.19 0.00 -0.26 0.00 0.00 60.65 61.53 3ab4 s ILE 248 Cb 0.06 -3.81 -0.05 0.00 1.25 0.00 0.00 42.46 39.91 3ab4 s ILE 248 CO 0.69 0.13 1.05 -2.65 0.24 0.00 0.00 174.94 174.40 3ab4 n PRO 249 N 3.51 1.04 -0.95 0.37 -0.02 -1.26 -4.63 135.00 133.06 3ab4 n PRO 249 Ca 0.08 0.40 -0.10 0.00 -2.02 0.00 0.00 63.50 61.86 3ab4 n PRO 249 Cb 0.45 -2.25 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 3ab4 n PRO 249 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3ab4 n VAL 250 N -1.59 0.00 -0.28 -1.45 3.14 -1.26 -4.92 118.33 111.97 3ab4 n VAL 250 Ca 0.13 -0.37 0.00 0.00 -2.96 0.00 0.00 64.34 61.15 3ab4 n VAL 250 Cb 0.46 -0.53 0.00 0.00 -1.06 0.00 0.00 33.84 32.71 3ab4 n VAL 250 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3ab4 n ALA 253 N 5.99 -0.91 -2.37 1.55 0.00 -1.26 -5.19 120.51 118.32 3ab4 n ALA 253 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.36 3ab4 n ALA 253 Cb 0.35 -0.02 -0.09 0.00 0.00 0.00 0.00 19.45 19.69 3ab4 n ALA 253 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ab4 s VAL 254 N 0.00 0.44 -0.28 0.00 0.11 -1.26 -4.11 120.40 115.30 3ab4 s VAL 254 Ca 0.00 -2.00 -0.12 0.00 -2.93 0.00 0.00 61.98 56.93 3ab4 s VAL 254 Cb 0.00 -2.52 -0.05 0.00 -1.53 0.00 0.00 36.38 32.29 3ab4 s VAL 254 CO 0.00 0.00 0.24 -0.76 -3.33 0.00 0.00 175.10 171.25 3ab4 s LEU 255 N -3.41 4.02 -0.17 2.54 1.43 -1.26 -1.55 118.68 120.28 3ab4 s LEU 255 Ca 0.34 0.07 -0.14 0.00 -1.03 0.00 0.00 54.13 53.37 3ab4 s LEU 255 Cb 0.05 -2.20 -0.07 0.00 0.03 0.00 0.00 46.19 44.00 3ab4 s LEU 255 CO 0.17 -0.08 -0.16 0.41 0.23 0.00 0.00 176.35 176.91 3ab4 n THR 256 N 5.07 1.46 -3.84 5.49 -1.04 -0.46 -4.91 114.28 116.05 3ab4 n THR 256 Ca -0.13 0.12 -0.05 0.00 -2.04 0.00 0.00 64.05 61.95 3ab4 n THR 256 Cb 0.52 -2.29 0.01 0.00 -1.82 0.00 0.00 70.33 66.75 3ab4 n THR 256 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3ab4 s GLY 257 N -4.58 0.13 -0.09 3.41 0.00 -1.12 -4.66 107.32 100.40 3ab4 s GLY 257 Ca -0.22 -0.39 0.02 0.00 0.00 0.00 0.00 44.72 44.14 3ab4 s GLY 257 CO 0.35 1.19 -0.16 0.14 0.00 0.00 0.00 173.10 174.62 3ab4 s VAL 258 N -2.44 1.50 0.13 1.40 1.01 0.22 -2.32 120.40 119.91 3ab4 s VAL 258 Ca 0.18 -0.67 0.07 0.00 0.00 0.00 0.00 61.98 61.56 3ab4 s VAL 258 Cb -0.03 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 3ab4 s VAL 258 CO 0.07 0.44 -0.05 0.00 0.00 0.00 0.00 175.10 175.56 3ab4 s ALA 259 N 0.74 3.10 -0.04 5.51 0.00 -0.87 -4.24 121.76 125.95 3ab4 s ALA 259 Ca -0.12 -1.29 0.03 0.00 0.00 0.00 0.00 51.96 50.58 3ab4 s ALA 259 Cb -0.16 -0.97 0.01 0.00 0.00 0.00 0.00 23.12 22.00 3ab4 s ALA 259 CO 0.02 0.58 -0.12 -0.08 0.00 0.00 0.00 175.76 176.17 3ab4 s THR 260 N -1.46 1.04 -0.05 0.00 -1.32 -1.26 -2.05 115.64 110.54 3ab4 s THR 260 Ca 0.25 -0.47 -0.01 0.00 -1.21 0.00 0.00 61.69 60.24 3ab4 s THR 260 Cb -0.10 -0.93 0.03 0.00 -1.51 0.00 0.00 72.50 69.98 3ab4 s THR 260 CO 0.16 0.32 0.01 -0.62 -2.21 0.00 0.00 174.62 172.29 3ab4 s ASP 261 N 0.33 1.17 -0.11 8.08 2.15 -0.39 -4.58 116.67 123.32 3ab4 s ASP 261 Ca -0.07 -0.03 0.17 0.00 0.43 0.00 0.00 52.55 53.04 3ab4 s ASP 261 Cb -0.12 -0.32 0.25 0.00 -0.30 0.00 0.00 42.92 42.44 3ab4 s ASP 261 CO 0.02 -0.18 1.13 2.29 -0.17 0.00 0.00 175.17 178.26 3ab4 n LYS 262 N 4.88 1.41 -0.30 4.34 -0.00 -1.26 0.12 118.16 127.35 3ab4 n LYS 262 Ca -0.12 -2.42 0.08 0.00 -0.00 0.00 0.00 58.31 55.85 3ab4 n LYS 262 Cb 0.50 -1.42 0.23 0.00 -0.00 0.00 0.00 35.03 34.35 3ab4 n LYS 262 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 3ab4 n SER 263 N -1.30 3.50 -4.21 -5.58 3.41 -1.26 -4.95 113.62 103.22 3ab4 n SER 263 Ca 0.14 -2.11 -0.15 0.00 -0.26 0.00 0.00 58.87 56.49 3ab4 n SER 263 Cb 0.60 -0.37 -0.11 0.00 -0.26 0.00 0.00 64.21 64.08 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 -1.20 0.94 0.24 4.33 2.02 -1.26 -2.61 118.70 121.16 3ab4 s GLU 264 Ca 0.35 -1.26 0.08 0.00 0.02 0.00 0.00 54.97 54.17 3ab4 s GLU 264 Cb 0.20 -0.62 -0.04 0.00 0.10 0.00 0.00 34.13 33.77 3ab4 s GLU 264 CO 0.22 0.09 0.07 0.00 0.02 0.00 0.00 175.26 175.66 3ab4 s ALA 265 N -2.67 3.33 -0.40 5.21 0.00 -0.36 -4.01 121.76 122.86 3ab4 s ALA 265 Ca 0.09 -1.51 -0.09 0.00 0.00 0.00 0.00 51.96 50.46 3ab4 s ALA 265 Cb -0.01 -1.01 0.07 0.00 0.00 0.00 0.00 23.12 22.16 3ab4 s ALA 265 CO 0.01 0.30 0.23 0.21 0.00 0.00 0.00 175.76 176.51 3ab4 s LYS 266 N -3.60 2.59 0.05 0.00 2.20 0.60 -3.07 119.74 118.51 3ab4 s LYS 266 Ca 0.31 -1.41 -0.18 0.00 -0.36 0.00 0.00 55.97 54.33 3ab4 s LYS 266 Cb -0.07 -3.72 -0.06 0.00 -1.51 0.00 0.00 37.83 32.46 3ab4 s LYS 266 CO 0.22 -0.90 0.53 0.08 -0.36 0.00 0.00 175.35 174.91 3ab4 s VAL 267 N 1.42 4.82 -0.06 4.02 1.01 -0.56 -1.16 120.40 129.88 3ab4 s VAL 267 Ca 0.02 1.12 -0.00 0.00 0.00 0.00 0.00 61.98 63.12 3ab4 s VAL 267 Cb -0.22 -3.85 0.03 0.00 0.00 0.00 0.00 36.38 32.33 3ab4 s VAL 267 CO 0.02 0.56 -0.02 -0.89 0.00 0.00 0.00 175.10 174.77 3ab4 s THR 268 N -1.06 0.45 -0.30 3.92 2.01 -0.60 -1.26 115.64 118.80 3ab4 s THR 268 Ca 0.28 0.02 -0.12 0.00 0.31 0.00 0.00 61.69 62.18 3ab4 s THR 268 Cb -0.19 -0.56 -0.04 0.00 0.01 0.00 0.00 72.50 71.72 3ab4 s THR 268 CO 0.17 0.25 0.21 -0.69 -0.69 0.00 0.00 174.62 173.88 3ab4 s VAL 269 N 1.59 5.30 0.01 3.82 1.01 0.35 -0.32 120.40 132.15 3ab4 s VAL 269 Ca -0.01 0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.10 3ab4 s VAL 269 Cb -0.13 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 3ab4 s VAL 269 CO -0.04 0.16 -0.20 -1.48 0.00 0.00 0.00 175.10 173.55 3ab4 s LEU 270 N 1.76 2.47 0.00 3.92 2.34 -0.46 -0.69 118.68 128.02 3ab4 s LEU 270 Ca 0.07 -0.40 0.00 0.00 0.06 0.00 0.00 54.13 53.86 3ab4 s LEU 270 Cb -0.16 -1.46 0.00 0.00 -0.56 0.00 0.00 46.19 44.01 3ab4 s LEU 270 CO 0.11 0.29 0.00 0.61 -1.06 0.00 0.00 176.35 176.30 3ab4 n GLY 271 N 1.94 0.87 3.75 -3.48 0.00 -1.15 -1.87 105.19 105.25 3ab4 n GLY 271 Ca -0.16 -0.62 -0.40 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.61 4.16 -0.01 -0.61 1.01 0.99 -4.02 121.20 120.11 3ab4 s ILE 272 Ca 0.00 2.07 -0.30 0.00 0.00 0.00 0.00 60.65 62.42 3ab4 s ILE 272 Cb 0.00 -4.32 -0.05 0.00 0.01 0.00 0.00 42.46 38.10 3ab4 s ILE 272 CO 0.00 0.47 1.38 -0.94 0.00 0.00 0.00 174.94 175.84 3ab4 s SER 273 N -0.96 6.88 -1.30 3.58 1.04 -1.26 -0.48 113.70 121.20 3ab4 s SER 273 Ca 0.42 2.07 -0.18 0.00 0.48 0.00 0.00 55.95 58.74 3ab4 s SER 273 Cb -0.25 -2.56 0.03 0.00 0.10 0.00 0.00 66.02 63.34 3ab4 s SER 273 CO 0.31 -0.70 1.90 -0.67 0.98 0.00 0.00 173.24 175.06 3ab4 n ASP 274 N 5.38 4.35 -3.76 7.02 4.64 -1.26 -4.79 116.55 128.12 3ab4 n ASP 274 Ca 0.13 -2.86 -0.13 0.00 -1.38 0.00 0.00 54.79 50.54 3ab4 n ASP 274 Cb 0.44 -1.69 -0.11 0.00 -1.04 0.00 0.00 41.12 38.72 3ab4 n ASP 274 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 3ab4 s LYS 275 N 4.23 0.39 -0.12 -0.67 -0.14 -1.26 -4.96 119.74 117.20 3ab4 s LYS 275 Ca 0.54 0.45 -0.41 0.00 -1.36 0.00 0.00 55.97 55.19 3ab4 s LYS 275 Cb 0.07 0.19 -0.19 0.00 -1.68 0.00 0.00 37.83 36.22 3ab4 s LYS 275 CO 0.04 -0.05 1.32 -2.30 -0.76 0.00 0.00 175.35 173.60 3ab4 n PRO 276 N 2.87 0.39 0.00 -1.68 -0.02 -1.26 -2.60 135.00 132.70 3ab4 n PRO 276 Ca -0.13 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 3ab4 n PRO 276 Cb 0.58 -1.69 0.00 0.00 -0.02 0.00 0.00 33.50 32.36 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 2.57 1.23 0.18 -1.23 0.00 -1.26 -4.97 105.19 101.70 3ab4 n GLY 277 Ca 0.23 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.11 3ab4 n GLY 277 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3ab4 h GLU 278 N 2.85 0.56 -0.65 1.61 4.57 -1.81 -1.56 114.58 120.15 3ab4 h GLU 278 Ca 0.00 -0.32 -0.04 0.00 -1.18 0.00 0.00 59.36 57.81 3ab4 h GLU 278 Cb 0.00 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.59 3ab4 h GLU 278 CO 0.00 0.93 0.24 0.00 -1.18 0.00 0.00 179.01 178.99 3ab4 h ALA 279 N 0.62 1.19 -0.12 2.92 0.00 -1.91 -1.35 119.26 120.61 3ab4 h ALA 279 Ca 0.02 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.79 3ab4 h ALA 279 Cb 0.86 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 3ab4 h ALA 279 CO 0.07 0.58 -0.19 0.00 0.00 0.00 0.00 179.25 179.70 3ab4 h ALA 280 N 1.31 -0.14 -0.77 0.00 0.00 -1.90 -0.48 119.26 117.27 3ab4 h ALA 280 Ca 0.22 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 3ab4 h ALA 280 Cb 0.22 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 3ab4 h ALA 280 CO -0.02 -0.65 0.47 0.87 0.00 0.00 0.00 179.25 179.92 3ab4 h LYS 281 N -0.25 1.04 -0.42 0.00 1.57 -1.02 0.51 116.57 118.01 3ab4 h LYS 281 Ca 0.10 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 3ab4 h LYS 281 Cb 0.39 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 3ab4 h LYS 281 CO -0.27 0.73 0.09 0.28 -0.57 0.00 0.00 179.45 179.71 3ab4 h VAL 282 N 1.06 1.19 0.00 0.50 2.07 -0.33 -3.21 116.25 117.53 3ab4 h VAL 282 Ca 0.28 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 67.11 3ab4 h VAL 282 Cb -0.05 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 3ab4 h VAL 282 CO -0.05 0.25 -1.73 0.49 0.02 0.00 0.00 177.57 176.54 3ab4 n PHE 283 N -4.31 0.00 -0.09 1.57 3.72 -0.28 -3.87 117.46 114.19 3ab4 n PHE 283 Ca 0.03 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.31 3ab4 n PHE 283 Cb 0.20 -0.38 -0.04 0.00 -0.94 0.00 0.00 39.48 38.33 3ab4 n PHE 283 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 3ab4 h ARG 284 N 0.00 0.50 -0.19 -1.08 1.12 -0.98 0.20 114.38 113.96 3ab4 h ARG 284 Ca 0.00 -0.17 0.04 0.00 -1.11 0.00 0.00 59.98 58.74 3ab4 h ARG 284 Cb 0.80 -0.04 -0.04 0.00 -0.01 0.00 0.00 29.97 30.68 3ab4 h ARG 284 CO 0.00 0.68 -0.08 0.00 -3.11 0.00 0.00 179.97 177.46 3ab4 h ALA 285 N 0.81 0.08 -0.24 2.80 0.00 -1.74 -0.97 119.26 120.00 3ab4 h ALA 285 Ca 0.08 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 3ab4 h ALA 285 Cb 0.46 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3ab4 h ALA 285 CO 0.02 -0.51 -0.29 -0.07 0.00 0.00 0.00 179.25 178.40 3ab4 h LEU 286 N -0.05 0.47 -0.70 0.00 3.38 -1.65 -2.90 115.31 113.86 3ab4 h LEU 286 Ca 0.10 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 3ab4 h LEU 286 Cb 0.21 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3ab4 h LEU 286 CO -0.23 0.75 -0.06 0.00 0.09 0.00 0.00 178.44 178.99 3ab4 h ALA 287 N 1.29 0.90 -0.31 1.53 0.00 -0.35 -2.69 119.26 119.63 3ab4 h ALA 287 Ca 0.06 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 3ab4 h ALA 287 Cb 0.71 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3ab4 h ALA 287 CO 0.05 0.64 -0.07 -0.44 0.00 0.00 0.00 179.25 179.44 3ab4 h ASP 288 N 0.86 0.48 -0.29 0.00 3.32 -0.98 -2.63 116.42 117.18 3ab4 h ASP 288 Ca 0.15 -0.11 -0.09 0.00 0.02 0.00 0.00 57.03 57.00 3ab4 h ASP 288 Cb 0.58 -0.13 -0.06 0.00 0.22 0.00 0.00 39.33 39.95 3ab4 h ASP 288 CO 0.04 0.60 0.12 0.00 -1.72 0.00 0.00 179.24 178.27 3ab4 n ALA 289 N -2.48 3.32 -1.75 3.45 0.00 -1.15 -4.89 120.51 117.01 3ab4 n ALA 289 Ca 0.01 -0.87 -0.18 0.00 0.00 0.00 0.00 53.44 52.40 3ab4 n ALA 289 Cb 0.29 -1.10 -0.06 0.00 0.00 0.00 0.00 19.45 18.57 3ab4 n ALA 289 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3ab4 n GLU 290 N 0.07 -1.52 -2.57 0.00 -0.58 -0.99 -4.92 120.64 110.12 3ab4 n GLU 290 Ca 0.16 0.99 -0.43 0.00 -0.42 0.00 0.00 57.16 57.46 3ab4 n GLU 290 Cb 0.76 -5.40 -0.02 0.00 -0.57 0.00 0.00 31.44 26.21 3ab4 n GLU 290 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 3ab4 s ILE 291 N -2.60 4.46 -0.70 -3.67 -5.25 -1.02 -4.96 121.20 107.47 3ab4 s ILE 291 Ca 0.00 1.72 -0.26 0.00 -0.99 0.00 0.00 60.65 61.12 3ab4 s ILE 291 Cb 0.00 -4.27 -0.02 0.00 2.95 0.00 0.00 42.46 41.13 3ab4 s ILE 291 CO 0.00 -0.32 1.80 0.20 -1.79 0.00 0.00 174.94 174.83 3ab4 s ASN 292 N 1.75 5.38 -0.41 4.36 0.01 -1.26 -4.68 114.94 120.09 3ab4 s ASN 292 Ca 0.48 -0.03 -0.19 0.00 -0.71 0.00 0.00 52.86 52.42 3ab4 s ASN 292 Cb -0.15 -2.54 0.02 0.00 0.41 0.00 0.00 41.25 38.98 3ab4 s ASN 292 CO 0.14 -2.37 0.53 0.27 -1.51 0.00 0.00 177.10 174.15 3ab4 s ILE 293 N 8.80 4.98 -0.02 0.60 -4.36 -1.26 -3.97 121.20 125.98 3ab4 s ILE 293 Ca 0.64 -0.01 -0.00 0.00 -0.26 0.00 0.00 60.65 61.02 3ab4 s ILE 293 Cb -0.10 -4.07 -0.00 0.00 1.25 0.00 0.00 42.46 39.53 3ab4 s ILE 293 CO 0.14 -0.42 0.04 -0.78 0.24 0.00 0.00 174.94 174.15 3ab4 h ASP 294 N 8.71 -0.01 -3.45 4.36 -0.00 -0.82 -3.48 116.42 121.73 3ab4 h ASP 294 Ca -0.26 0.00 -0.45 0.00 -0.00 0.00 0.00 57.03 56.32 3ab4 h ASP 294 Cb 1.11 0.00 -0.34 0.00 -0.00 0.00 0.00 39.33 40.11 3ab4 h ASP 294 CO 0.82 0.08 -0.79 -0.32 -0.00 0.00 0.00 179.24 179.03 3ab4 s MET 295 N -1.17 1.18 -0.05 0.28 0.00 -1.25 -4.96 119.30 113.33 3ab4 s MET 295 Ca -0.00 -0.23 0.06 0.00 0.00 0.00 0.00 55.69 55.52 3ab4 s MET 295 Cb 0.00 -1.06 -0.01 0.00 0.00 0.00 0.00 34.83 33.76 3ab4 s MET 295 CO 0.00 -0.03 -0.24 0.54 0.00 0.00 0.00 175.02 175.29 3ab4 s VAL 296 N 0.78 1.99 -0.09 10.11 0.11 -1.26 -0.67 120.40 131.37 3ab4 s VAL 296 Ca -0.13 -1.04 0.03 0.00 -2.93 0.00 0.00 61.98 57.91 3ab4 s VAL 296 Cb -0.15 -1.68 0.01 0.00 -1.53 0.00 0.00 36.38 33.03 3ab4 s VAL 296 CO 0.02 0.56 -0.17 -0.76 -3.33 0.00 0.00 175.10 171.42 3ab4 s LEU 297 N -0.20 1.81 -0.01 2.54 2.01 0.32 -4.98 118.68 120.16 3ab4 s LEU 297 Ca -0.02 -0.42 -0.09 0.00 0.01 0.00 0.00 54.13 53.62 3ab4 s LEU 297 Cb -0.13 -1.08 0.01 0.00 0.01 0.00 0.00 46.19 44.99 3ab4 s LEU 297 CO 0.03 0.07 0.18 -1.58 1.01 0.00 0.00 176.35 176.06 3ab4 s GLN 298 N 0.66 0.48 -0.21 1.70 0.74 -1.26 0.36 119.66 122.13 3ab4 s GLN 298 Ca -0.14 -0.24 -0.05 0.00 0.05 0.00 0.00 55.36 54.98 3ab4 s GLN 298 Cb -0.16 0.20 0.10 0.00 1.10 0.00 0.00 33.01 34.25 3ab4 s GLN 298 CO 0.04 -0.11 0.39 1.21 -0.55 0.00 0.00 175.29 176.27 3ab4 s ASN 299 N -1.12 -0.06 0.80 6.67 2.47 -1.26 -5.08 114.94 117.36 3ab4 s ASN 299 Ca -0.12 0.73 -0.12 0.00 0.42 0.00 0.00 52.86 53.78 3ab4 s ASN 299 Cb -0.06 1.23 0.07 0.00 -1.45 0.00 0.00 41.25 41.04 3ab4 s ASN 299 CO 0.02 -0.25 1.13 0.54 -3.72 0.00 0.00 177.10 174.82 3ab4 s VAL 300 N 2.58 2.75 0.00 -5.21 0.11 -1.26 -4.68 120.40 114.69 3ab4 s VAL 300 Ca 0.03 0.28 0.00 0.00 -2.93 0.00 0.00 61.98 59.35 3ab4 s VAL 300 Cb -0.13 -2.63 0.00 0.00 -1.53 0.00 0.00 36.38 32.09 3ab4 s VAL 300 CO -0.13 -0.28 0.00 0.49 -3.33 0.00 0.00 175.10 171.84 3ab4 n PHE 301 N -3.47 0.00 0.00 1.54 3.01 -1.26 -5.07 117.46 112.22 3ab4 n PHE 301 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.57 3ab4 n PHE 301 Cb 0.52 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.99 3ab4 n PHE 301 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 3ab4 n THR 307 N -0.04 0.00 -4.25 4.37 -2.24 -1.26 -5.18 114.28 105.68 3ab4 n THR 307 Ca 0.00 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.64 3ab4 n THR 307 Cb 0.00 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.18 3ab4 n THR 307 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 3ab4 n THR 308 N 0.00 0.00 -4.35 4.28 5.66 0.37 -4.87 114.28 115.38 3ab4 n THR 308 Ca 0.00 -1.46 -0.20 0.00 -3.05 0.00 0.00 64.05 59.34 3ab4 n THR 308 Cb 0.00 0.61 -0.10 0.00 -1.55 0.00 0.00 70.33 69.29 3ab4 n THR 308 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 3ab4 s ASP 309 N -2.48 2.67 -0.03 1.09 -0.00 -1.26 -0.01 116.67 116.65 3ab4 s ASP 309 Ca 0.17 -0.96 0.03 0.00 -0.00 0.00 0.00 52.55 51.80 3ab4 s ASP 309 Cb 0.01 -0.15 -0.00 0.00 -0.00 0.00 0.00 42.92 42.77 3ab4 s ASP 309 CO 0.12 -0.10 -0.12 -0.63 -0.00 0.00 0.00 175.17 174.44 3ab4 s ILE 310 N -2.58 0.99 -0.03 0.77 1.01 0.14 -4.19 121.20 117.30 3ab4 s ILE 310 Ca 0.20 -0.48 0.07 0.00 0.00 0.00 0.00 60.65 60.44 3ab4 s ILE 310 Cb -0.03 -0.86 -0.02 0.00 0.01 0.00 0.00 42.46 41.56 3ab4 s ILE 310 CO 0.07 0.30 -0.25 -0.89 0.00 0.00 0.00 174.94 174.16 3ab4 s THR 311 N 0.07 2.02 0.21 2.92 2.01 0.16 -0.50 115.64 122.52 3ab4 s THR 311 Ca -0.02 -1.08 -0.11 0.00 0.31 0.00 0.00 61.69 60.79 3ab4 s THR 311 Cb -0.09 -1.68 -0.01 0.00 0.01 0.00 0.00 72.50 70.73 3ab4 s THR 311 CO 0.01 0.57 0.38 0.72 -0.69 0.00 0.00 174.62 175.61 3ab4 s PHE 312 N -0.47 0.40 0.01 4.92 -0.12 -0.39 0.12 117.98 122.45 3ab4 s PHE 312 Ca 0.06 -0.74 0.07 0.00 -0.05 0.00 0.00 56.93 56.27 3ab4 s PHE 312 Cb -0.11 0.06 -0.02 0.00 -0.63 0.00 0.00 43.02 42.32 3ab4 s PHE 312 CO 0.00 -0.86 -0.21 0.99 -0.05 0.00 0.00 175.22 175.10 3ab4 s THR 313 N -4.00 1.67 0.16 -4.49 2.01 0.15 -1.49 115.64 109.65 3ab4 s THR 313 Ca 0.21 -1.05 -0.13 0.00 0.31 0.00 0.00 61.69 61.03 3ab4 s THR 313 Cb 0.01 -1.42 0.01 0.00 0.01 0.00 0.00 72.50 71.11 3ab4 s THR 313 CO 0.05 0.34 0.37 0.00 -0.69 0.00 0.00 174.62 174.69 3ab4 n PRO 315 N -0.24 1.83 0.22 0.00 -0.02 -1.25 -1.22 135.00 134.32 3ab4 n PRO 315 Ca -0.11 0.64 0.06 0.00 -2.02 0.00 0.00 63.50 62.07 3ab4 n PRO 315 Cb 0.63 -2.18 0.52 0.00 -0.02 0.00 0.00 33.50 32.45 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 2.25 0.00 -0.93 -0.52 3.08 -1.80 -0.90 114.38 115.55 3ab4 h ARG 316 Ca -0.44 0.00 0.14 0.00 0.07 0.00 0.00 59.98 59.74 3ab4 h ARG 316 Cb 1.30 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.27 3ab4 h ARG 316 CO 0.61 0.20 0.55 0.77 -1.07 0.00 0.00 179.97 181.03 3ab4 h SER 317 N 0.00 0.76 -0.06 7.04 0.02 -1.90 -2.59 113.55 116.82 3ab4 h SER 317 Ca -0.00 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3ab4 h SER 317 Cb 0.37 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.84 3ab4 h SER 317 CO 0.03 0.37 0.00 0.47 -1.14 0.00 0.00 176.83 176.55 3ab4 n ASP 318 N -4.73 2.23 -0.09 3.07 8.00 -0.43 -4.50 116.55 120.10 3ab4 n ASP 318 Ca 0.18 -1.75 -0.15 0.00 0.71 0.00 0.00 54.79 53.79 3ab4 n ASP 318 Cb 0.40 -0.03 -0.04 0.00 -0.02 0.00 0.00 41.12 41.43 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 4.79 0.93 0.85 0.44 0.00 -0.90 -1.66 103.07 107.52 3ab4 h GLY 319 Ca 0.00 -1.06 -0.07 0.00 0.00 0.00 0.00 47.33 46.20 3ab4 h GLY 319 CO 0.00 0.95 -0.12 -0.09 0.00 0.00 0.00 176.54 177.29 3ab4 h ARG 320 N 0.63 0.51 -0.02 4.80 2.43 -1.79 -2.96 114.38 117.98 3ab4 h ARG 320 Ca 0.02 -0.22 -0.07 0.00 -0.81 0.00 0.00 59.98 58.91 3ab4 h ARG 320 Cb 1.09 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.62 3ab4 h ARG 320 CO 0.11 0.77 -0.30 0.00 -1.51 0.00 0.00 179.97 179.05 3ab4 h ARG 321 N 0.23 0.03 0.00 0.20 3.08 -1.84 -3.09 114.38 112.99 3ab4 h ARG 321 Ca 0.05 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 3ab4 h ARG 321 Cb 0.62 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.66 3ab4 h ARG 321 CO 0.04 0.33 -0.15 0.00 -1.07 0.00 0.00 179.97 179.11 3ab4 h ALA 322 N 1.68 0.92 0.08 0.04 0.00 -1.22 -3.28 119.26 117.48 3ab4 h ALA 322 Ca 0.00 -0.14 -0.28 0.00 0.00 0.00 0.00 54.91 54.49 3ab4 h ALA 322 Cb 0.54 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3ab4 h ALA 322 CO 0.04 0.19 -1.41 0.52 0.00 0.00 0.00 179.25 178.58 3ab4 h MET 323 N 0.00 0.17 -0.29 0.00 2.86 -1.43 -2.94 114.93 113.29 3ab4 h MET 323 Ca -0.00 -0.28 -0.16 0.00 -2.06 0.00 0.00 59.70 57.20 3ab4 h MET 323 Cb 1.01 0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.77 3ab4 h MET 323 CO 0.02 1.02 -0.42 0.93 1.06 0.00 0.00 176.91 179.52 3ab4 h GLU 324 N 0.05 0.81 -0.60 1.72 5.08 -1.64 0.82 114.58 120.82 3ab4 h GLU 324 Ca -0.19 -0.47 0.02 0.00 -1.00 0.00 0.00 59.36 57.71 3ab4 h GLU 324 Cb 1.96 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 31.22 3ab4 h GLU 324 CO 0.15 1.11 0.38 0.97 -1.00 0.00 0.00 179.01 180.62 3ab4 h ILE 325 N 0.57 1.12 0.00 3.13 -0.00 -1.70 -2.87 117.51 117.75 3ab4 h ILE 325 Ca 0.03 -0.26 0.00 0.00 -0.00 0.00 0.00 64.86 64.63 3ab4 h ILE 325 Cb 1.02 0.28 0.00 0.00 -0.00 0.00 0.00 36.82 38.12 3ab4 h ILE 325 CO 0.10 0.14 0.00 0.25 -0.00 0.00 0.00 178.15 178.64 3ab4 h LEU 326 N 0.77 0.00 -0.20 2.19 5.85 -1.28 -3.00 115.31 119.64 3ab4 h LEU 326 Ca 0.23 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.85 3ab4 h LEU 326 Cb -0.04 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 3ab4 h LEU 326 CO -0.07 0.00 -0.25 0.11 -0.34 0.00 0.00 178.44 177.89 3ab4 h LYS 327 N 0.00 0.52 -0.91 1.25 6.56 0.87 -3.18 116.57 121.68 3ab4 h LYS 327 Ca 0.00 -0.29 0.02 0.00 -1.06 0.00 0.00 60.65 59.32 3ab4 h LYS 327 Cb 0.78 0.02 -0.05 0.00 -0.57 0.00 0.00 32.23 32.41 3ab4 h LYS 327 CO 0.00 0.88 0.60 1.57 -2.06 0.00 0.00 179.45 180.44 3ab4 h LYS 328 N 0.19 1.17 0.00 3.15 2.10 -1.43 -2.84 116.57 118.91 3ab4 h LYS 328 Ca 0.03 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 3ab4 h LYS 328 Cb 0.81 -0.26 0.00 0.00 -0.90 0.00 0.00 32.23 31.88 3ab4 h LYS 328 CO 0.06 0.77 0.00 -0.07 -2.00 0.00 0.00 179.45 178.21 3ab4 h LEU 329 N 1.20 0.00 -1.02 7.07 4.07 -1.51 -3.22 115.31 121.90 3ab4 h LEU 329 Ca 0.35 0.00 0.03 0.00 0.08 0.00 0.00 57.88 58.34 3ab4 h LEU 329 Cb -0.09 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 41.60 3ab4 h LEU 329 CO -0.09 0.00 0.66 -0.61 -1.08 0.00 0.00 178.44 177.31 3ab4 h GLN 330 N 0.00 1.25 -5.13 1.13 4.15 -1.50 -3.36 115.11 111.65 3ab4 h GLN 330 Ca 0.00 -0.08 -0.33 0.00 0.77 0.00 0.00 58.65 59.01 3ab4 h GLN 330 Cb 0.18 -0.28 0.01 0.00 0.21 0.00 0.00 27.48 27.60 3ab4 h GLN 330 CO 0.00 0.83 1.04 1.33 -1.93 0.00 0.00 178.83 180.09 3ab4 n VAL 331 N -4.42 1.13 0.00 2.39 0.24 -1.22 0.58 118.33 117.02 3ab4 n VAL 331 Ca 0.13 -1.13 0.00 0.00 -2.04 0.00 0.00 64.34 61.30 3ab4 n VAL 331 Cb 0.07 -2.13 0.00 0.00 -1.47 0.00 0.00 33.84 30.32 3ab4 n VAL 331 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ab4 n GLN 332 N 7.98 0.00 -4.60 7.34 1.13 -1.26 -5.17 117.38 122.80 3ab4 n GLN 332 Ca 0.45 0.39 -0.27 0.00 -1.94 0.00 0.00 57.00 55.62 3ab4 n GLN 332 Cb 0.45 -0.89 -0.09 0.00 0.11 0.00 0.00 30.24 29.82 3ab4 n GLN 332 CO 0.00 0.00 0.00 1.67 -1.44 0.00 0.00 177.06 177.29 3ab4 s TRP 335 N -0.98 2.06 0.04 1.08 -2.14 0.19 -5.21 118.94 113.98 3ab4 s TRP 335 Ca 0.00 -0.94 -0.28 0.00 2.66 0.00 0.00 56.10 57.54 3ab4 s TRP 335 Cb 0.00 -1.49 -0.17 0.00 -3.10 0.00 0.00 33.47 28.71 3ab4 s TRP 335 CO 0.00 0.14 1.40 1.15 -2.66 0.00 0.00 176.95 176.97 3ab4 h THR 336 N 1.73 0.51 -2.46 0.66 2.02 -1.51 -3.47 112.91 110.40 3ab4 h THR 336 Ca -0.42 -0.30 0.12 0.00 0.77 0.00 0.00 66.41 66.58 3ab4 h THR 336 Cb 1.27 0.64 -0.11 0.00 -1.74 0.00 0.00 68.15 68.21 3ab4 h THR 336 CO 0.72 0.05 0.43 0.21 0.37 0.00 0.00 175.52 177.30 3ab4 s ASN 337 N -4.77 -0.31 -0.00 4.18 2.47 -1.16 -5.05 114.94 110.29 3ab4 s ASN 337 Ca -0.15 -0.20 0.03 0.00 0.42 0.00 0.00 52.86 52.95 3ab4 s ASN 337 Cb 0.03 0.48 -0.01 0.00 -1.45 0.00 0.00 41.25 40.30 3ab4 s ASN 337 CO 0.57 -0.83 -0.09 0.68 -3.72 0.00 0.00 177.10 173.70 3ab4 s VAL 338 N -3.33 0.73 0.09 -5.21 -7.23 -1.26 -1.35 120.40 102.84 3ab4 s VAL 338 Ca 0.08 -0.43 0.10 0.00 -1.81 0.00 0.00 61.98 59.91 3ab4 s VAL 338 Cb -0.02 -0.62 -0.04 0.00 0.56 0.00 0.00 36.38 36.27 3ab4 s VAL 338 CO -0.04 0.18 -0.24 -0.76 -0.31 0.00 0.00 175.10 173.93 3ab4 s LEU 339 N -0.29 2.39 -0.11 1.32 1.43 0.56 -4.94 118.68 119.03 3ab4 s LEU 339 Ca 0.03 -0.62 0.02 0.00 -1.03 0.00 0.00 54.13 52.53 3ab4 s LEU 339 Cb -0.04 -1.34 0.01 0.00 0.03 0.00 0.00 46.19 44.85 3ab4 s LEU 339 CO -0.00 0.21 -0.17 -0.47 0.23 0.00 0.00 176.35 176.15 3ab4 s TYR 340 N -0.99 2.13 -0.41 0.29 5.04 -1.26 -1.56 117.35 120.59 3ab4 s TYR 340 Ca 0.14 -1.00 0.01 0.00 -2.44 0.00 0.00 57.07 53.78 3ab4 s TYR 340 Cb -0.10 -1.51 0.14 0.00 0.35 0.00 0.00 41.96 40.84 3ab4 s TYR 340 CO 0.06 -0.49 0.22 0.34 -1.34 0.00 0.00 175.55 174.34 3ab4 s ASP 341 N 0.90 3.43 1.20 4.32 3.68 -0.31 -4.98 116.67 124.91 3ab4 s ASP 341 Ca -0.08 -2.45 -0.14 0.00 2.13 0.00 0.00 52.55 52.02 3ab4 s ASP 341 Cb -0.15 -0.81 0.21 0.00 -1.45 0.00 0.00 42.92 40.72 3ab4 s ASP 341 CO -0.01 -0.29 0.69 -0.90 0.13 0.00 0.00 175.17 174.79 3ab4 n ASP 342 N 3.75 -2.09 -0.91 -0.34 5.68 -1.26 -0.29 116.55 121.09 3ab4 n ASP 342 Ca 0.09 -0.86 -0.12 0.00 -0.50 0.00 0.00 54.79 53.40 3ab4 n ASP 342 Cb 0.35 -0.66 -0.05 0.00 -1.14 0.00 0.00 41.12 39.62 3ab4 n ASP 342 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ab4 n GLN 343 N -3.87 -0.98 -3.41 0.11 6.02 -1.26 -4.83 117.38 109.16 3ab4 n GLN 343 Ca 0.10 0.90 -0.38 0.00 -0.01 0.00 0.00 57.00 57.60 3ab4 n GLN 343 Cb 0.39 -4.95 -0.08 0.00 1.02 0.00 0.00 30.24 26.62 3ab4 n GLN 343 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3ab4 s VAL 344 N -2.36 5.21 -0.06 5.09 1.01 -1.26 -1.55 120.40 126.48 3ab4 s VAL 344 Ca 0.00 0.66 -0.02 0.00 0.00 0.00 0.00 61.98 62.62 3ab4 s VAL 344 Cb 0.00 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 3ab4 s VAL 344 CO 0.00 0.26 0.04 -0.83 0.00 0.00 0.00 175.10 174.56 3ab4 s GLY 345 N 1.06 1.93 -0.16 4.51 0.00 -0.64 -4.47 107.32 109.55 3ab4 s GLY 345 Ca 0.18 -0.82 -0.04 0.00 0.00 0.00 0.00 44.72 44.04 3ab4 s GLY 345 CO 0.08 -0.62 -0.03 1.25 0.00 0.00 0.00 173.10 173.78 3ab4 s LYS 346 N -1.18 3.70 -0.02 2.90 2.20 0.12 -0.88 119.74 126.56 3ab4 s LYS 346 Ca 0.16 -0.50 0.04 0.00 -0.36 0.00 0.00 55.97 55.32 3ab4 s LYS 346 Cb -0.12 -2.94 -0.01 0.00 -1.51 0.00 0.00 37.83 33.26 3ab4 s LYS 346 CO 0.06 0.25 -0.15 0.54 -0.36 0.00 0.00 175.35 175.69 3ab4 s VAL 347 N 0.34 1.23 0.03 4.02 0.11 -0.47 -1.26 120.40 124.39 3ab4 s VAL 347 Ca -0.03 -0.63 -0.01 0.00 -2.93 0.00 0.00 61.98 58.37 3ab4 s VAL 347 Cb -0.14 -1.04 -0.02 0.00 -1.53 0.00 0.00 36.38 33.65 3ab4 s VAL 347 CO 0.03 0.35 -0.01 -0.44 -3.33 0.00 0.00 175.10 171.71 3ab4 s SER 348 N -0.14 0.28 -0.02 3.54 0.01 -0.87 -1.50 113.70 115.01 3ab4 s SER 348 Ca 0.01 -0.61 0.07 0.00 1.31 0.00 0.00 55.95 56.73 3ab4 s SER 348 Cb -0.08 0.15 -0.02 0.00 0.21 0.00 0.00 66.02 66.27 3ab4 s SER 348 CO 0.01 -0.40 -0.23 -0.22 0.41 0.00 0.00 173.24 172.80 3ab4 s LEU 349 N -1.89 2.04 0.00 2.44 2.96 -0.44 -2.06 118.68 121.74 3ab4 s LEU 349 Ca -0.09 -0.42 0.02 0.00 -0.22 0.00 0.00 54.13 53.42 3ab4 s LEU 349 Cb -0.04 -1.20 -0.01 0.00 0.50 0.00 0.00 46.19 45.44 3ab4 s LEU 349 CO -0.03 0.28 -0.07 0.68 -1.32 0.00 0.00 176.35 175.89 3ab4 s VAL 350 N -0.52 0.53 -0.30 1.68 -7.23 -0.98 -1.69 120.40 111.90 3ab4 s VAL 350 Ca 0.08 -0.38 -0.19 0.00 -1.81 0.00 0.00 61.98 59.67 3ab4 s VAL 350 Cb -0.09 -0.47 0.20 0.00 0.56 0.00 0.00 36.38 36.58 3ab4 s VAL 350 CO -0.01 0.08 1.29 -0.83 -0.31 0.00 0.00 175.10 175.33 3ab4 s GLY 351 N -0.34 0.46 0.55 2.32 0.00 -0.62 -1.36 107.32 108.33 3ab4 s GLY 351 Ca 0.01 3.64 0.21 0.00 0.00 0.00 0.00 44.72 48.59 3ab4 s GLY 351 CO -0.00 2.44 2.17 0.00 0.00 0.00 0.00 173.10 177.70 3ab4 h ALA 352 N 4.47 1.88 0.00 3.20 0.00 -1.72 -2.59 119.26 124.50 3ab4 h ALA 352 Ca -0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3ab4 h ALA 352 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3ab4 h ALA 352 CO 0.21 -0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.81 3ab4 n GLY 353 N -1.47 -0.79 0.99 0.00 0.00 -0.59 -2.58 105.19 100.74 3ab4 n GLY 353 Ca -0.02 -0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.07 3ab4 n GLY 353 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3ab4 n MET 354 N -1.49 2.26 -0.02 1.61 3.85 -0.98 -4.36 117.12 117.99 3ab4 n MET 354 Ca 0.02 -1.93 -0.13 0.00 -1.00 0.00 0.00 57.70 54.66 3ab4 n MET 354 Cb 0.10 -1.45 -0.10 0.00 -1.05 0.00 0.00 33.22 30.71 3ab4 n MET 354 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 3ab4 h LYS 355 N 3.43 -0.02 -0.80 3.17 3.64 -1.65 -3.36 116.57 120.98 3ab4 h LYS 355 Ca 0.00 0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.81 3ab4 h LYS 355 Cb 0.77 0.01 -0.39 0.00 -0.41 0.00 0.00 32.23 32.20 3ab4 h LYS 355 CO 0.00 0.59 -0.43 0.43 -2.27 0.00 0.00 179.45 177.77 3ab4 n SER 356 N -4.80 5.52 -3.66 4.20 7.64 -1.26 -4.98 113.62 116.27 3ab4 n SER 356 Ca -0.09 -3.76 -0.29 0.00 1.01 0.00 0.00 58.87 55.74 3ab4 n SER 356 Cb 0.31 -0.49 -0.15 0.00 -1.01 0.00 0.00 64.21 62.87 3ab4 n SER 356 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 3ab4 s HIS 357 N -3.65 1.01 0.31 1.43 2.46 -1.26 -5.05 115.29 110.54 3ab4 s HIS 357 Ca 0.54 -1.18 0.07 0.00 0.47 0.00 0.00 55.06 54.96 3ab4 s HIS 357 Cb 0.43 -1.24 0.80 0.00 -0.13 0.00 0.00 32.58 32.45 3ab4 s HIS 357 CO 0.03 -0.78 1.72 -1.35 -2.47 0.00 0.00 174.74 171.89 3ab4 h PRO 358 N 8.25 0.52 0.00 2.88 0.11 -1.93 -3.27 132.00 138.55 3ab4 h PRO 358 Ca -0.16 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.92 3ab4 h PRO 358 Cb 1.04 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3ab4 h PRO 358 CO 0.42 0.34 0.00 0.78 -0.21 0.00 0.00 178.00 179.34 3ab4 h GLY 359 N 0.54 0.00 0.91 -0.55 0.00 -1.98 -3.41 103.07 98.57 3ab4 h GLY 359 Ca 0.60 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.93 3ab4 h GLY 359 CO -0.48 0.00 -0.03 -2.08 0.00 0.00 0.00 176.54 173.95 3ab4 h VAL 360 N 0.00 1.00 -0.36 4.60 2.07 -1.94 0.27 116.25 121.89 3ab4 h VAL 360 Ca 0.00 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 3ab4 h VAL 360 Cb 0.75 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 3ab4 h VAL 360 CO 0.00 0.05 0.14 0.00 0.02 0.00 0.00 177.57 177.78 3ab4 h THR 361 N -0.18 1.19 -0.58 2.57 1.03 -1.87 0.25 112.91 115.31 3ab4 h THR 361 Ca -0.01 -0.60 0.11 0.00 -0.01 0.00 0.00 66.41 65.89 3ab4 h THR 361 Cb 0.15 0.92 -0.11 0.00 -1.07 0.00 0.00 68.15 68.04 3ab4 h THR 361 CO 0.01 0.21 -0.29 0.00 -0.01 0.00 0.00 175.52 175.44 3ab4 h ALA 362 N 0.98 0.05 -0.45 0.00 0.00 -1.76 0.37 119.26 118.46 3ab4 h ALA 362 Ca 0.12 0.18 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 3ab4 h ALA 362 Cb 0.20 0.71 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 3ab4 h ALA 362 CO -0.01 -0.62 -0.05 0.93 0.00 0.00 0.00 179.25 179.50 3ab4 h GLU 363 N -0.14 0.76 0.61 0.00 5.08 -0.50 0.33 114.58 120.73 3ab4 h GLU 363 Ca 0.24 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3ab4 h GLU 363 Cb 0.54 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 3ab4 h GLU 363 CO -0.66 0.81 -0.44 0.35 -1.00 0.00 0.00 179.01 178.07 3ab4 h PHE 364 N 0.70 -1.18 -0.77 4.33 3.57 0.25 -2.03 116.94 121.81 3ab4 h PHE 364 Ca 0.13 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.72 3ab4 h PHE 364 Cb 0.51 0.44 -0.12 0.00 2.79 0.00 0.00 35.95 39.57 3ab4 h PHE 364 CO 0.03 -0.64 -0.49 0.52 -2.23 0.00 0.00 178.31 175.50 3ab4 h MET 365 N -1.01 -0.13 0.00 1.11 2.86 0.17 -2.25 114.93 115.68 3ab4 h MET 365 Ca -0.07 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 3ab4 h MET 365 Cb 0.84 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.53 3ab4 h MET 365 CO 0.03 -0.09 -0.13 0.93 1.06 0.00 0.00 176.91 178.72 3ab4 h GLU 366 N -0.13 0.00 -0.24 1.72 5.08 -0.23 -1.74 114.58 119.05 3ab4 h GLU 366 Ca 0.20 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.41 3ab4 h GLU 366 Cb 0.53 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 3ab4 h GLU 366 CO -0.82 0.13 -0.46 0.00 -1.00 0.00 0.00 179.01 176.86 3ab4 h ALA 367 N 1.87 0.75 0.01 3.43 0.00 -0.76 -2.71 119.26 121.86 3ab4 h ALA 367 Ca -0.00 -0.47 -0.21 0.00 0.00 0.00 0.00 54.91 54.23 3ab4 h ALA 367 Cb 0.24 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3ab4 h ALA 367 CO 0.02 0.67 -0.99 -0.07 0.00 0.00 0.00 179.25 178.87 3ab4 h LEU 368 N 0.49 0.05 -0.84 0.00 3.38 -1.31 -3.24 115.31 113.83 3ab4 h LEU 368 Ca 0.03 -0.05 0.11 0.00 0.09 0.00 0.00 57.88 58.06 3ab4 h LEU 368 Cb 0.99 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.65 3ab4 h LEU 368 CO 0.09 1.01 0.47 -0.09 0.09 0.00 0.00 178.44 180.01 3ab4 h ARG 369 N 0.01 0.72 -0.17 1.13 2.43 -1.23 -2.79 114.38 114.48 3ab4 h ARG 369 Ca -0.02 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3ab4 h ARG 369 Cb 1.73 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 31.12 3ab4 h ARG 369 CO 0.13 0.48 0.00 -0.25 -1.51 0.00 0.00 179.97 178.82 3ab4 n ASP 370 N -4.78 0.17 -4.21 -3.80 8.00 -1.03 -4.33 116.55 106.58 3ab4 n ASP 370 Ca 0.15 -1.21 -0.12 0.00 0.71 0.00 0.00 54.79 54.32 3ab4 n ASP 370 Cb 0.33 -0.09 -0.10 0.00 -0.02 0.00 0.00 41.12 41.25 3ab4 n ASP 370 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3ab4 s VAL 371 N -1.72 0.07 -0.78 2.53 0.11 -1.05 -5.03 120.40 114.53 3ab4 s VAL 371 Ca 0.00 -1.99 -0.06 0.00 -2.93 0.00 0.00 61.98 57.00 3ab4 s VAL 371 Cb 0.00 -2.46 -0.08 0.00 -1.53 0.00 0.00 36.38 32.31 3ab4 s VAL 371 CO 0.00 -0.05 2.27 0.59 -3.33 0.00 0.00 175.10 174.57 3ab4 n ASN 372 N -0.27 4.93 -4.35 3.54 3.02 -1.26 -4.79 115.26 116.08 3ab4 n ASN 372 Ca 0.01 -2.30 -0.45 0.00 -0.03 0.00 0.00 54.58 51.81 3ab4 n ASN 372 Cb 0.66 -1.09 -0.05 0.00 -0.61 0.00 0.00 39.78 38.69 3ab4 n ASN 372 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3ab4 s VAL 373 N 2.91 5.01 -0.08 2.41 1.01 -1.21 -5.06 120.40 125.39 3ab4 s VAL 373 Ca 0.43 -1.17 -0.28 0.00 0.00 0.00 0.00 61.98 60.95 3ab4 s VAL 373 Cb 0.13 -4.39 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 3ab4 s VAL 373 CO -0.03 -0.96 0.94 0.21 0.00 0.00 0.00 175.10 175.26 3ab4 s ASN 374 N 3.48 7.21 -0.01 3.32 2.47 -1.26 -4.53 114.94 125.62 3ab4 s ASN 374 Ca 0.08 1.48 -0.26 0.00 0.42 0.00 0.00 52.86 54.58 3ab4 s ASN 374 Cb -0.26 -2.53 -0.04 0.00 -1.45 0.00 0.00 41.25 36.97 3ab4 s ASN 374 CO 0.05 -0.35 0.81 -0.63 -3.72 0.00 0.00 177.10 173.26 3ab4 s ILE 375 N 1.60 4.88 0.00 -5.21 1.09 -1.26 -4.50 121.20 117.80 3ab4 s ILE 375 Ca 0.47 1.70 0.00 0.00 -1.10 0.00 0.00 60.65 61.72 3ab4 s ILE 375 Cb -0.19 -4.15 0.00 0.00 -1.06 0.00 0.00 42.46 37.06 3ab4 s ILE 375 CO 0.20 0.26 0.28 -1.84 -0.10 0.00 0.00 174.94 173.74 3ab4 n GLU 376 N 3.50 1.09 -3.64 2.79 0.28 -0.93 -5.04 120.64 118.68 3ab4 n GLU 376 Ca 0.01 -0.28 -0.08 0.00 -0.16 0.00 0.00 57.16 56.65 3ab4 n GLU 376 Cb 0.51 -0.75 -0.07 0.00 1.43 0.00 0.00 31.44 32.56 3ab4 n GLU 376 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 3ab4 s LEU 377 N -0.47 -0.47 0.09 -1.84 2.96 -1.23 -4.96 118.68 112.76 3ab4 s LEU 377 Ca 0.00 0.87 0.07 0.00 -0.22 0.00 0.00 54.13 54.85 3ab4 s LEU 377 Cb 0.00 1.87 -0.03 0.00 0.50 0.00 0.00 46.19 48.53 3ab4 s LEU 377 CO 0.00 -0.15 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.07 3ab4 s ILE 378 N 0.42 1.47 -0.27 6.68 1.01 -1.26 -1.56 121.20 127.69 3ab4 s ILE 378 Ca 0.01 -1.44 -0.18 0.00 0.00 0.00 0.00 60.65 59.04 3ab4 s ILE 378 Cb -0.05 -1.36 0.08 0.00 0.01 0.00 0.00 42.46 41.14 3ab4 s ILE 378 CO -0.08 -0.12 0.69 -0.55 0.00 0.00 0.00 174.94 174.88 3ab4 s SER 379 N -1.82 -0.89 0.11 3.58 0.15 -0.41 -5.00 113.70 109.41 3ab4 s SER 379 Ca 0.03 1.49 0.03 0.00 0.70 0.00 0.00 55.95 58.20 3ab4 s SER 379 Cb -0.10 1.39 -0.04 0.00 -1.71 0.00 0.00 66.02 65.57 3ab4 s SER 379 CO 0.03 -0.24 -0.09 0.42 1.20 0.00 0.00 173.24 174.56 3ab4 s THR 380 N 1.32 0.90 0.50 6.45 -4.23 -1.26 0.30 115.64 119.63 3ab4 s THR 380 Ca -0.08 -1.80 0.01 0.00 -1.18 0.00 0.00 61.69 58.64 3ab4 s THR 380 Cb -0.05 -1.54 -0.00 0.00 1.34 0.00 0.00 72.50 72.25 3ab4 s THR 380 CO -0.15 -0.69 0.04 -0.94 -0.54 0.00 0.00 174.62 172.35 3ab4 s SER 381 N -2.75 3.84 0.25 3.99 1.04 0.40 -4.97 113.70 115.50 3ab4 s SER 381 Ca 0.09 -1.72 -0.04 0.00 0.48 0.00 0.00 55.95 54.77 3ab4 s SER 381 Cb 0.00 0.68 0.48 0.00 0.10 0.00 0.00 66.02 67.28 3ab4 s SER 381 CO -0.01 -0.95 1.73 -0.08 0.98 0.00 0.00 173.24 174.91 3ab4 h GLU 382 N 1.39 0.44 -0.27 4.02 4.81 -2.00 -2.41 114.58 120.57 3ab4 h GLU 382 Ca -0.41 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 58.72 3ab4 h GLU 382 Cb 1.32 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.55 3ab4 h GLU 382 CO 0.68 0.29 -0.03 0.44 -0.73 0.00 0.00 179.01 179.66 3ab4 n ILE 383 N -5.00 2.35 -3.73 2.32 -5.35 -1.26 -4.10 119.36 104.60 3ab4 n ILE 383 Ca 0.15 -2.27 -0.13 0.00 -0.27 0.00 0.00 62.75 60.22 3ab4 n ILE 383 Cb 0.43 -0.28 -0.09 0.00 -1.74 0.00 0.00 39.64 37.95 3ab4 n ILE 383 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3ab4 s ARG 384 N -3.01 0.55 -0.20 6.28 3.52 -0.91 -1.59 118.95 123.60 3ab4 s ARG 384 Ca 0.42 0.35 0.01 0.00 -0.13 0.00 0.00 55.73 56.38 3ab4 s ARG 384 Cb 0.36 0.26 0.04 0.00 -1.56 0.00 0.00 34.95 34.05 3ab4 s ARG 384 CO 0.05 -0.10 -0.13 0.42 -0.81 0.00 0.00 175.30 174.72 3ab4 s ILE 385 N -0.26 1.80 0.01 4.11 1.01 -0.68 -0.45 121.20 126.73 3ab4 s ILE 385 Ca -0.04 -1.06 0.05 0.00 0.00 0.00 0.00 60.65 59.60 3ab4 s ILE 385 Cb -0.03 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.59 3ab4 s ILE 385 CO 0.02 0.24 -0.12 -0.44 0.00 0.00 0.00 174.94 174.65 3ab4 s SER 386 N 1.34 4.26 -0.01 3.58 0.01 0.15 -1.33 113.70 121.69 3ab4 s SER 386 Ca -0.01 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.01 3ab4 s SER 386 Cb -0.16 -0.89 0.01 0.00 0.21 0.00 0.00 66.02 65.20 3ab4 s SER 386 CO -0.09 0.28 0.00 -0.69 0.41 0.00 0.00 173.24 173.16 3ab4 s VAL 387 N -0.93 0.05 -0.08 3.43 1.01 -0.56 -1.29 120.40 122.03 3ab4 s VAL 387 Ca 0.15 0.05 -0.22 0.00 0.00 0.00 0.00 61.98 61.96 3ab4 s VAL 387 Cb -0.11 -0.10 -0.04 0.00 0.00 0.00 0.00 36.38 36.13 3ab4 s VAL 387 CO 0.06 0.06 0.66 -0.76 0.00 0.00 0.00 175.10 175.12 3ab4 s LEU 388 N 0.45 4.31 0.00 3.92 1.43 -0.60 -1.37 118.68 126.82 3ab4 s LEU 388 Ca -0.04 1.12 0.03 0.00 -1.03 0.00 0.00 54.13 54.21 3ab4 s LEU 388 Cb -0.06 -3.01 -0.01 0.00 0.03 0.00 0.00 46.19 43.13 3ab4 s LEU 388 CO -0.01 -0.10 0.11 2.30 0.23 0.00 0.00 176.35 178.88 3ab4 n ILE 389 N 3.77 0.00 -2.21 -0.59 -5.35 -0.06 -2.20 119.36 112.72 3ab4 n ILE 389 Ca -0.02 -1.76 -0.42 0.00 -0.27 0.00 0.00 62.75 60.29 3ab4 n ILE 389 Cb 0.51 0.64 -0.03 0.00 -1.74 0.00 0.00 39.64 39.03 3ab4 n ILE 389 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3ab4 s ARG 390 N -3.14 4.37 0.32 6.28 6.06 -1.26 -1.63 118.95 129.96 3ab4 s ARG 390 Ca 0.16 2.05 0.08 0.00 -2.50 0.00 0.00 55.73 55.52 3ab4 s ARG 390 Cb 0.01 -3.21 0.93 0.00 0.06 0.00 0.00 34.95 32.74 3ab4 s ARG 390 CO 0.11 -0.29 1.61 1.05 -2.50 0.00 0.00 175.30 175.28 3ab4 h GLU 391 N 5.73 0.11 -0.94 5.12 4.11 -1.58 0.18 114.58 127.31 3ab4 h GLU 391 Ca -0.44 -0.01 -0.12 0.00 0.07 0.00 0.00 59.36 58.86 3ab4 h GLU 391 Cb 1.21 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 30.37 3ab4 h GLU 391 CO 0.79 0.07 0.15 -0.40 0.07 0.00 0.00 179.01 179.70 3ab4 n ASP 392 N -5.29 3.08 -0.09 3.06 3.85 -1.26 -2.06 116.55 117.85 3ab4 n ASP 392 Ca 0.27 -2.50 0.02 0.00 -0.71 0.00 0.00 54.79 51.88 3ab4 n ASP 392 Cb 0.89 -0.60 -0.00 0.00 -1.35 0.00 0.00 41.12 40.06 3ab4 n ASP 392 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 3ab4 n ASP 393 N 0.02 0.76 -0.03 -1.12 8.00 0.64 -4.83 116.55 119.99 3ab4 n ASP 393 Ca 0.18 -0.88 -0.11 0.00 0.71 0.00 0.00 54.79 54.69 3ab4 n ASP 393 Cb 0.81 0.55 -0.04 0.00 -0.02 0.00 0.00 41.12 42.42 3ab4 n ASP 393 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3ab4 h LEU 394 N 0.45 -1.17 -0.58 0.64 -0.00 -1.50 0.56 115.31 113.72 3ab4 h LEU 394 Ca 0.00 0.17 0.11 0.00 -0.00 0.00 0.00 57.88 58.16 3ab4 h LEU 394 Cb 0.15 0.49 -0.09 0.00 -0.00 0.00 0.00 40.66 41.22 3ab4 h LEU 394 CO 0.00 -0.38 0.07 0.44 -0.00 0.00 0.00 178.44 178.57 3ab4 h ASP 395 N -0.41 -0.10 0.30 -0.43 3.45 -1.88 -0.56 116.42 116.79 3ab4 h ASP 395 Ca 0.10 0.12 -0.20 0.00 0.43 0.00 0.00 57.03 57.49 3ab4 h ASP 395 Cb 0.58 0.19 -0.00 0.00 -0.56 0.00 0.00 39.33 39.54 3ab4 h ASP 395 CO -0.42 -0.04 -0.80 0.00 -1.57 0.00 0.00 179.24 176.42 3ab4 h ALA 396 N 1.49 0.52 -0.35 3.45 0.00 -1.81 -1.63 119.26 120.94 3ab4 h ALA 396 Ca 0.30 -0.64 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 3ab4 h ALA 396 Cb 0.46 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3ab4 h ALA 396 CO -0.43 0.79 -0.07 0.00 0.00 0.00 0.00 179.25 179.53 3ab4 h ALA 397 N 0.88 0.47 0.01 0.00 0.00 -0.27 0.32 119.26 120.66 3ab4 h ALA 397 Ca -0.05 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 3ab4 h ALA 397 Cb 1.40 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3ab4 h ALA 397 CO 0.14 0.31 -0.00 0.00 0.00 0.00 0.00 179.25 179.70 3ab4 h ALA 398 N 0.82 -0.01 -0.99 0.00 0.00 -1.14 0.17 119.26 118.11 3ab4 h ALA 398 Ca 0.09 -0.27 0.12 0.00 0.00 0.00 0.00 54.91 54.85 3ab4 h ALA 398 Cb 0.57 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.28 3ab4 h ALA 398 CO 0.03 -0.23 0.62 0.00 0.00 0.00 0.00 179.25 179.67 3ab4 h ARG 399 N -0.56 0.94 -0.26 0.00 3.08 -1.32 0.11 114.38 116.37 3ab4 h ARG 399 Ca -0.00 -0.06 -0.19 0.00 0.07 0.00 0.00 59.98 59.80 3ab4 h ARG 399 Cb 0.55 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.39 3ab4 h ARG 399 CO 0.00 0.62 -0.58 0.00 -1.07 0.00 0.00 179.97 178.94 3ab4 h ALA 400 N 1.54 0.48 -0.10 0.04 0.00 -0.21 -2.89 119.26 118.11 3ab4 h ALA 400 Ca 0.50 -0.53 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 3ab4 h ALA 400 Cb 0.51 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3ab4 h ALA 400 CO -0.27 0.68 -0.68 1.37 0.00 0.00 0.00 179.25 180.35 3ab4 h LEU 401 N 0.63 0.50 -0.33 0.00 8.10 -0.14 -2.86 115.31 121.21 3ab4 h LEU 401 Ca 0.01 -0.31 -0.05 0.00 0.11 0.00 0.00 57.88 57.64 3ab4 h LEU 401 Cb 1.18 -0.15 -0.01 0.00 -0.44 0.00 0.00 40.66 41.24 3ab4 h LEU 401 CO 0.13 1.04 0.03 -0.74 -4.11 0.00 0.00 178.44 174.78 3ab4 h HIS 402 N 0.31 0.61 -0.16 0.17 6.17 -0.99 -2.69 115.15 118.57 3ab4 h HIS 402 Ca -0.02 -0.10 -0.04 0.00 0.71 0.00 0.00 60.37 60.93 3ab4 h HIS 402 Cb 1.24 -0.16 -0.00 0.00 2.52 0.00 0.00 27.41 31.00 3ab4 h HIS 402 CO 0.04 0.67 -0.05 1.49 0.71 0.00 0.00 177.93 180.79 3ab4 h GLU 403 N 0.38 0.31 -0.39 5.26 4.81 -1.57 -2.20 114.58 121.19 3ab4 h GLU 403 Ca 0.10 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3ab4 h GLU 403 Cb 0.40 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 3ab4 h GLU 403 CO 0.01 0.60 0.24 1.96 -0.73 0.00 0.00 179.01 181.08 3ab4 h GLN 404 N 0.01 0.52 -0.21 1.92 4.20 -1.53 -2.00 115.11 118.02 3ab4 h GLN 404 Ca 0.04 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3ab4 h GLN 404 Cb 0.49 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.15 3ab4 h GLN 404 CO 0.02 0.36 0.00 1.19 -0.67 0.00 0.00 178.83 179.73 3ab4 n PHE 405 N -4.46 0.26 -2.91 2.96 3.72 -1.02 -4.98 117.46 111.03 3ab4 n PHE 405 Ca 0.03 -0.13 -0.19 0.00 -0.05 0.00 0.00 57.45 57.11 3ab4 n PHE 405 Cb 0.08 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.65 3ab4 n PHE 405 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3ab4 n GLN 406 N 1.18 -4.22 0.00 -1.08 1.13 -0.75 -5.00 117.38 108.64 3ab4 n GLN 406 Ca 0.17 0.79 0.15 0.00 -1.94 0.00 0.00 57.00 56.17 3ab4 n GLN 406 Cb 0.55 -5.40 0.88 0.00 0.11 0.00 0.00 30.24 26.37 3ab4 n GLN 406 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90