#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 3.33 -0.14 0.00 0.20 -1.26 -1.49 118.68 119.32 3ab4 s LEU 3 Ca 0.00 -1.01 0.00 0.00 0.69 0.00 0.00 54.13 53.81 3ab4 s LEU 3 Cb 0.00 -1.66 0.02 0.00 -0.43 0.00 0.00 46.19 44.13 3ab4 s LEU 3 CO 0.00 -0.16 -0.13 0.54 -0.29 0.00 0.00 176.35 176.31 3ab4 s VAL 4 N 1.28 1.47 0.24 1.68 0.11 -0.57 -1.16 120.40 123.44 3ab4 s VAL 4 Ca -0.02 -0.57 -0.20 0.00 -2.93 0.00 0.00 61.98 58.26 3ab4 s VAL 4 Cb -0.18 -1.39 -0.08 0.00 -1.53 0.00 0.00 36.38 33.20 3ab4 s VAL 4 CO -0.04 0.44 0.75 -0.69 -3.33 0.00 0.00 175.10 172.23 3ab4 s VAL 5 N 1.53 4.53 -0.05 2.04 1.01 -0.87 -3.00 120.40 125.59 3ab4 s VAL 5 Ca 0.05 1.33 0.01 0.00 0.00 0.00 0.00 61.98 63.37 3ab4 s VAL 5 Cb -0.13 -3.86 0.02 0.00 0.00 0.00 0.00 36.38 32.41 3ab4 s VAL 5 CO -0.10 0.18 -0.05 -1.10 0.00 0.00 0.00 175.10 174.02 3ab4 s GLN 6 N -2.03 0.95 -0.12 2.72 -0.21 0.82 -1.18 119.66 120.60 3ab4 s GLN 6 Ca 0.44 -0.14 0.00 0.00 0.02 0.00 0.00 55.36 55.69 3ab4 s GLN 6 Cb -0.17 -0.94 -0.02 0.00 1.00 0.00 0.00 33.01 32.89 3ab4 s GLN 6 CO 0.21 -0.09 -0.13 0.21 -2.12 0.00 0.00 175.29 173.38 3ab4 s LYS 7 N 0.97 3.32 -0.09 2.91 2.36 0.14 -0.34 119.74 129.00 3ab4 s LYS 7 Ca -0.10 -0.68 0.04 0.00 -2.55 0.00 0.00 55.97 52.68 3ab4 s LYS 7 Cb -0.14 -2.62 -0.00 0.00 -1.05 0.00 0.00 37.83 34.02 3ab4 s LYS 7 CO 0.00 0.25 -0.24 0.71 1.55 0.00 0.00 175.35 177.63 3ab4 s TYR 8 N 0.25 2.55 0.72 4.03 2.02 -0.64 -0.35 117.35 125.93 3ab4 s TYR 8 Ca -0.09 -0.98 -0.06 0.00 -0.37 0.00 0.00 57.07 55.58 3ab4 s TYR 8 Cb -0.15 -1.70 0.09 0.00 -0.40 0.00 0.00 41.96 39.79 3ab4 s TYR 8 CO 0.05 -0.38 1.02 0.20 -1.57 0.00 0.00 175.55 174.87 3ab4 s GLY 9 N 0.26 1.73 0.25 0.71 0.00 -0.97 -1.71 107.32 107.59 3ab4 s GLY 9 Ca -0.16 -1.17 -0.06 0.00 0.00 0.00 0.00 44.72 43.33 3ab4 s GLY 9 CO 0.08 -0.70 1.92 -1.33 0.00 0.00 0.00 173.10 173.07 3ab4 h GLY 10 N -0.63 1.39 -0.40 0.20 0.00 -1.83 -1.08 103.07 100.72 3ab4 h GLY 10 Ca -0.42 -0.51 0.06 0.00 0.00 0.00 0.00 47.33 46.46 3ab4 h GLY 10 CO 0.52 0.49 -0.49 1.48 0.00 0.00 0.00 176.54 178.54 3ab4 h SER 11 N 1.32 -1.66 0.59 0.19 4.64 -1.92 0.38 113.55 117.09 3ab4 h SER 11 Ca 0.37 0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.92 3ab4 h SER 11 Cb -0.13 0.71 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3ab4 h SER 11 CO -0.09 -0.38 0.00 -1.20 -0.87 0.00 0.00 176.83 174.30 3ab4 n SER 12 N -5.39 0.49 -0.74 4.97 7.64 -0.47 -2.40 113.62 117.71 3ab4 n SER 12 Ca -0.01 0.63 0.03 0.00 1.01 0.00 0.00 58.87 60.53 3ab4 n SER 12 Cb 0.35 -0.73 0.20 0.00 -1.01 0.00 0.00 64.21 63.01 3ab4 n SER 12 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3ab4 n LEU 13 N -2.05 2.96 0.02 -3.43 4.77 -0.70 -4.39 117.00 114.17 3ab4 n LEU 13 Ca 0.02 -3.96 0.12 0.00 -0.03 0.00 0.00 56.01 52.15 3ab4 n LEU 13 Cb 0.19 -0.52 0.49 0.00 -2.33 0.00 0.00 43.42 41.25 3ab4 n LEU 13 CO 0.17 1.45 0.88 -1.84 -1.33 0.00 0.00 177.39 176.72 3ab4 n GLU 14 N -1.09 0.04 -3.89 3.23 0.28 -0.70 -4.27 120.64 114.24 3ab4 n GLU 14 Ca 0.22 0.13 -0.09 0.00 -0.16 0.00 0.00 57.16 57.26 3ab4 n GLU 14 Cb 0.73 -1.55 -0.04 0.00 1.43 0.00 0.00 31.44 32.01 3ab4 n GLU 14 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 3ab4 s SER 15 N -3.24 -0.18 0.19 -1.84 1.04 -1.26 -4.81 113.70 103.60 3ab4 s SER 15 Ca 0.11 -0.72 -0.12 0.00 0.48 0.00 0.00 55.95 55.70 3ab4 s SER 15 Cb 0.15 0.63 0.20 0.00 0.10 0.00 0.00 66.02 67.09 3ab4 s SER 15 CO 0.45 -1.18 1.75 0.00 0.98 0.00 0.00 173.24 175.23 3ab4 h ALA 16 N 2.17 0.66 -0.36 5.32 0.00 -1.99 -0.75 119.26 124.31 3ab4 h ALA 16 Ca -0.25 0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.77 3ab4 h ALA 16 Cb 1.25 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 3ab4 h ALA 16 CO 0.32 -0.21 0.14 1.49 0.00 0.00 0.00 179.25 180.99 3ab4 h GLU 17 N 0.37 0.29 0.00 0.00 4.81 -1.99 -0.54 114.58 117.52 3ab4 h GLU 17 Ca 0.26 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.36 3ab4 h GLU 17 Cb 0.29 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 3ab4 h GLU 17 CO -0.26 0.19 -0.51 0.00 -0.73 0.00 0.00 179.01 177.70 3ab4 h ARG 18 N 0.30 0.00 -0.37 1.92 2.47 -1.78 0.13 114.38 117.05 3ab4 h ARG 18 Ca 0.16 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.74 3ab4 h ARG 18 Cb 0.12 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.43 3ab4 h ARG 18 CO -0.15 0.51 -0.31 0.82 0.56 0.00 0.00 179.97 181.39 3ab4 h ILE 19 N 0.00 1.28 -0.35 2.04 2.04 -0.76 -0.29 117.51 121.47 3ab4 h ILE 19 Ca -0.01 -1.48 -0.13 0.00 1.00 0.00 0.00 64.86 64.25 3ab4 h ILE 19 Cb 0.96 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 3ab4 h ILE 19 CO 0.07 0.49 -0.30 0.03 0.00 0.00 0.00 178.15 178.44 3ab4 h ARG 20 N 0.66 0.74 0.10 2.37 3.08 -0.83 0.40 114.38 120.90 3ab4 h ARG 20 Ca 0.06 -0.33 -0.00 0.00 0.07 0.00 0.00 59.98 59.78 3ab4 h ARG 20 Cb 0.90 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.93 3ab4 h ARG 20 CO 0.08 0.94 -0.05 -0.97 -1.07 0.00 0.00 179.97 178.91 3ab4 h ASN 21 N 0.63 -0.11 -0.19 7.04 -0.73 -0.64 -1.46 115.58 120.12 3ab4 h ASN 21 Ca 0.07 -0.08 0.04 0.00 1.87 0.00 0.00 56.30 58.20 3ab4 h ASN 21 Cb 0.82 0.03 -0.04 0.00 0.27 0.00 0.00 38.32 39.40 3ab4 h ASN 21 CO 0.07 0.01 -0.05 0.58 -0.37 0.00 0.00 177.43 177.67 3ab4 h VAL 22 N -0.23 0.80 -0.87 2.57 2.07 -0.98 -2.55 116.25 117.05 3ab4 h VAL 22 Ca -0.01 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.65 3ab4 h VAL 22 Cb 0.19 0.80 -0.07 0.00 -1.52 0.00 0.00 31.29 30.69 3ab4 h VAL 22 CO 0.02 0.00 0.57 0.00 0.02 0.00 0.00 177.57 178.18 3ab4 h ALA 23 N 1.19 1.89 -0.16 1.67 0.00 0.03 0.44 119.26 124.31 3ab4 h ALA 23 Ca 0.09 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 3ab4 h ALA 23 Cb 0.15 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3ab4 h ALA 23 CO -0.20 -0.13 -0.33 1.49 0.00 0.00 0.00 179.25 180.07 3ab4 h GLU 24 N 0.64 0.33 -0.28 0.00 4.22 -0.96 -1.80 114.58 116.73 3ab4 h GLU 24 Ca 0.44 -0.14 -0.07 0.00 0.08 0.00 0.00 59.36 59.67 3ab4 h GLU 24 Cb 0.77 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 3ab4 h GLU 24 CO -0.19 0.63 -0.10 -0.09 -2.18 0.00 0.00 179.01 177.08 3ab4 h ARG 25 N 0.29 0.56 -0.17 1.92 2.43 0.21 -0.37 114.38 119.24 3ab4 h ARG 25 Ca 0.04 -0.23 0.05 0.00 -0.81 0.00 0.00 59.98 59.03 3ab4 h ARG 25 Cb 0.73 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.20 3ab4 h ARG 25 CO 0.06 0.78 -0.26 0.82 -1.51 0.00 0.00 179.97 179.86 3ab4 h ILE 26 N 0.31 0.38 -0.26 1.20 1.08 -1.01 -1.27 117.51 117.94 3ab4 h ILE 26 Ca 0.07 0.00 -0.09 0.00 -0.39 0.00 0.00 64.86 64.44 3ab4 h ILE 26 Cb 0.60 0.38 -0.01 0.00 -3.07 0.00 0.00 36.82 34.71 3ab4 h ILE 26 CO 0.03 0.00 -0.24 0.58 -0.69 0.00 0.00 178.15 177.83 3ab4 h VAL 27 N -0.31 1.26 -0.68 1.67 2.07 -1.17 -1.30 116.25 117.80 3ab4 h VAL 27 Ca 0.11 -1.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.37 3ab4 h VAL 27 Cb 0.48 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 3ab4 h VAL 27 CO -0.35 0.40 0.39 0.00 0.02 0.00 0.00 177.57 178.03 3ab4 h ALA 28 N 1.31 0.87 -0.58 1.67 0.00 -0.80 0.64 119.26 122.38 3ab4 h ALA 28 Ca 0.06 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 3ab4 h ALA 28 Cb 0.66 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3ab4 h ALA 28 CO 0.05 0.37 -0.05 1.15 0.00 0.00 0.00 179.25 180.77 3ab4 h THR 29 N 0.93 1.27 -0.66 0.00 2.02 -0.68 -2.27 112.91 113.52 3ab4 h THR 29 Ca 0.24 -1.20 0.03 0.00 0.77 0.00 0.00 66.41 66.26 3ab4 h THR 29 Cb 0.02 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 67.25 3ab4 h THR 29 CO -0.04 0.43 0.40 0.50 0.37 0.00 0.00 175.52 177.18 3ab4 h LYS 30 N 0.94 0.76 0.00 6.66 1.63 -1.03 -3.03 116.57 122.50 3ab4 h LYS 30 Ca 0.16 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.91 3ab4 h LYS 30 Cb 0.61 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.07 3ab4 h LYS 30 CO 0.04 0.50 0.00 1.63 -3.45 0.00 0.00 179.45 178.17 3ab4 n LYS 31 N -4.71 1.00 -0.00 1.90 4.76 0.20 -2.33 118.16 118.97 3ab4 n LYS 31 Ca 0.07 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.63 3ab4 n LYS 31 Cb 0.10 -1.21 0.14 0.00 -1.84 0.00 0.00 35.03 32.21 3ab4 n LYS 31 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ab4 n ALA 32 N -0.71 2.47 -0.15 7.82 0.00 -0.93 -4.96 120.51 124.04 3ab4 n ALA 32 Ca 0.10 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.87 3ab4 n ALA 32 Cb 0.05 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.66 3ab4 n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ab4 n GLY 33 N 1.34 1.10 3.26 0.00 0.00 -0.98 -4.91 105.19 105.00 3ab4 n GLY 33 Ca 0.15 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 3ab4 n GLY 33 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ab4 s ASN 34 N -2.06 2.62 0.05 1.61 -0.87 -1.20 -2.36 114.94 112.72 3ab4 s ASN 34 Ca 0.00 -0.46 -0.31 0.00 -1.57 0.00 0.00 52.86 50.52 3ab4 s ASN 34 Cb 0.00 -0.26 -0.06 0.00 -0.02 0.00 0.00 41.25 40.91 3ab4 s ASN 34 CO 0.00 0.23 1.24 -1.81 -2.57 0.00 0.00 177.10 174.19 3ab4 s ASP 35 N -0.81 7.03 0.04 -1.22 1.11 -0.56 -4.43 116.67 117.83 3ab4 s ASP 35 Ca 0.09 2.04 0.07 0.00 0.18 0.00 0.00 52.55 54.93 3ab4 s ASP 35 Cb -0.09 -2.58 -0.03 0.00 1.07 0.00 0.00 42.92 41.30 3ab4 s ASP 35 CO 0.00 -0.53 -0.21 0.68 1.18 0.00 0.00 175.17 176.30 3ab4 s VAL 36 N 1.30 1.66 -0.03 -1.27 -7.23 -1.26 -1.52 120.40 112.05 3ab4 s VAL 36 Ca 0.60 -1.20 0.02 0.00 -1.81 0.00 0.00 61.98 59.58 3ab4 s VAL 36 Cb -0.30 -1.44 0.01 0.00 0.56 0.00 0.00 36.38 35.21 3ab4 s VAL 36 CO 0.28 0.19 -0.06 0.54 -0.31 0.00 0.00 175.10 175.75 3ab4 s VAL 37 N -0.81 0.60 0.11 1.32 0.11 -1.16 -2.71 120.40 117.85 3ab4 s VAL 37 Ca 0.07 -0.21 0.08 0.00 -2.93 0.00 0.00 61.98 58.99 3ab4 s VAL 37 Cb -0.09 -0.58 -0.04 0.00 -1.53 0.00 0.00 36.38 34.14 3ab4 s VAL 37 CO 0.02 0.22 -0.14 0.68 -3.33 0.00 0.00 175.10 172.55 3ab4 s VAL 38 N 0.55 3.12 0.00 2.04 -7.23 -0.45 -0.13 120.40 118.31 3ab4 s VAL 38 Ca -0.08 -1.37 0.04 0.00 -1.81 0.00 0.00 61.98 58.76 3ab4 s VAL 38 Cb -0.11 -2.45 -0.01 0.00 0.56 0.00 0.00 36.38 34.37 3ab4 s VAL 38 CO 0.00 0.11 -0.14 -0.69 -0.31 0.00 0.00 175.10 174.07 3ab4 s VAL 39 N -1.18 1.10 -0.04 1.32 1.01 0.54 -0.91 120.40 122.24 3ab4 s VAL 39 Ca 0.20 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.50 3ab4 s VAL 39 Cb -0.11 -0.94 0.00 0.00 0.00 0.00 0.00 36.38 35.33 3ab4 s VAL 39 CO 0.12 0.22 -0.14 0.00 0.00 0.00 0.00 175.10 175.30 3ab4 s SER 41 N 0.19 5.41 0.50 0.00 0.01 -0.69 -4.79 113.70 114.33 3ab4 s SER 41 Ca -0.06 1.71 -0.23 0.00 1.31 0.00 0.00 55.95 58.69 3ab4 s SER 41 Cb -0.11 -2.51 -0.07 0.00 0.21 0.00 0.00 66.02 63.53 3ab4 s SER 41 CO 0.02 -1.42 1.21 0.00 0.41 0.00 0.00 173.24 173.46 3ab4 n ALA 42 N -2.80 1.06 -1.65 1.44 0.00 -1.26 -4.67 120.51 112.64 3ab4 n ALA 42 Ca 0.08 0.16 -0.47 0.00 0.00 0.00 0.00 53.44 53.21 3ab4 n ALA 42 Cb 0.53 -2.25 -0.04 0.00 0.00 0.00 0.00 19.45 17.69 3ab4 n ALA 42 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3ab4 n MET 43 N -0.50 1.86 -0.29 0.00 0.00 -1.26 -4.03 117.12 112.89 3ab4 n MET 43 Ca 0.09 0.67 -0.11 0.00 0.00 0.00 0.00 57.70 58.35 3ab4 n MET 43 Cb 0.43 -2.38 -0.01 0.00 0.00 0.00 0.00 33.22 31.25 3ab4 n MET 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3ab4 n GLY 44 N 2.96 -0.08 4.00 3.03 0.00 0.04 -1.47 105.19 113.68 3ab4 n GLY 44 Ca 0.16 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 0.30 0.00 -0.21 1.61 9.92 -1.26 -4.85 116.55 122.05 3ab4 n ASP 45 Ca 0.04 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.21 3ab4 n ASP 45 Cb 0.02 -1.00 0.02 0.00 -0.64 0.00 0.00 41.12 39.52 3ab4 n ASP 45 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3ab4 h THR 46 N 0.00 1.26 -0.13 -3.53 1.03 -1.52 -1.94 112.91 108.07 3ab4 h THR 46 Ca 0.00 -1.04 -0.00 0.00 -0.01 0.00 0.00 66.41 65.36 3ab4 h THR 46 Cb 0.00 0.77 -0.01 0.00 -1.07 0.00 0.00 68.15 67.84 3ab4 h THR 46 CO 0.00 0.38 0.08 0.71 -0.01 0.00 0.00 175.52 176.68 3ab4 h THR 47 N 0.91 1.07 -0.50 0.00 1.35 -1.85 0.62 112.91 114.51 3ab4 h THR 47 Ca 0.18 -0.19 0.10 0.00 -0.55 0.00 0.00 66.41 65.95 3ab4 h THR 47 Cb 0.46 0.96 -0.10 0.00 -1.73 0.00 0.00 68.15 67.74 3ab4 h THR 47 CO 0.02 0.07 -0.17 0.44 -0.25 0.00 0.00 175.52 175.62 3ab4 h ASP 48 N 0.14 -0.61 -0.57 5.36 3.45 -1.95 0.33 116.42 122.56 3ab4 h ASP 48 Ca 0.05 0.16 -0.05 0.00 0.43 0.00 0.00 57.03 57.62 3ab4 h ASP 48 Cb 0.04 0.36 -0.02 0.00 -0.56 0.00 0.00 39.33 39.15 3ab4 h ASP 48 CO -0.01 -0.21 0.16 -0.33 -1.57 0.00 0.00 179.24 177.28 3ab4 h GLU 49 N -0.06 0.91 -0.65 3.56 5.08 -0.52 -0.64 114.58 122.26 3ab4 h GLU 49 Ca 0.24 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3ab4 h GLU 49 Cb 0.42 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 3ab4 h GLU 49 CO -0.54 0.83 0.32 -0.07 -1.00 0.00 0.00 179.01 178.55 3ab4 h LEU 50 N 0.82 0.83 -0.63 1.33 4.07 0.84 -1.28 115.31 121.28 3ab4 h LEU 50 Ca 0.18 -0.08 -0.08 0.00 0.08 0.00 0.00 57.88 57.98 3ab4 h LEU 50 Cb 0.31 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.82 3ab4 h LEU 50 CO -0.00 0.70 0.07 -0.07 -1.08 0.00 0.00 178.44 178.05 3ab4 h LEU 51 N 0.92 1.02 -0.22 1.67 4.07 0.22 -2.31 115.31 120.69 3ab4 h LEU 51 Ca 0.23 -0.28 -0.06 0.00 0.08 0.00 0.00 57.88 57.85 3ab4 h LEU 51 Cb 0.08 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.54 3ab4 h LEU 51 CO -0.03 1.04 -0.10 -0.08 -1.08 0.00 0.00 178.44 178.20 3ab4 h GLU 52 N 0.97 0.45 -0.76 1.13 4.81 -0.92 -2.65 114.58 117.61 3ab4 h GLU 52 Ca 0.19 -0.19 0.10 0.00 -0.13 0.00 0.00 59.36 59.32 3ab4 h GLU 52 Cb 0.48 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.77 3ab4 h GLU 52 CO 0.02 0.72 0.41 1.25 -0.73 0.00 0.00 179.01 180.68 3ab4 h LEU 53 N 0.16 0.55 -0.40 1.64 5.85 -1.23 0.54 115.31 122.42 3ab4 h LEU 53 Ca 0.05 0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.74 3ab4 h LEU 53 Cb 0.59 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 3ab4 h LEU 53 CO 0.03 0.31 -0.08 0.00 -0.34 0.00 0.00 178.44 178.36 3ab4 h ALA 54 N 1.45 0.55 -0.74 1.25 0.00 -1.39 -1.43 119.26 118.94 3ab4 h ALA 54 Ca 0.38 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3ab4 h ALA 54 Cb 0.38 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 3ab4 h ALA 54 CO -0.27 0.40 0.48 0.00 0.00 0.00 0.00 179.25 179.87 3ab4 h ALA 55 N 0.85 0.94 0.00 0.00 0.00 -1.04 -0.90 119.26 119.11 3ab4 h ALA 55 Ca 0.10 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3ab4 h ALA 55 Cb 0.59 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3ab4 h ALA 55 CO 0.04 0.38 -0.13 0.00 0.00 0.00 0.00 179.25 179.53 3ab4 h ALA 56 N 1.26 1.40 0.00 0.00 0.00 -0.64 -3.17 119.26 118.12 3ab4 h ALA 56 Ca 0.27 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3ab4 h ALA 56 Cb -0.09 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3ab4 h ALA 56 CO -0.06 0.17 -1.47 0.28 0.00 0.00 0.00 179.25 178.17 3ab4 n VAL 57 N -3.83 0.44 -3.40 0.00 0.31 -0.56 -4.88 118.33 106.41 3ab4 n VAL 57 Ca -0.02 -0.55 0.02 0.00 -0.01 0.00 0.00 64.34 63.78 3ab4 n VAL 57 Cb 0.23 -0.24 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 3ab4 n VAL 57 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3ab4 s ASN 58 N -5.06 -1.15 0.55 4.52 3.04 -0.43 -5.06 114.94 111.35 3ab4 s ASN 58 Ca -0.04 1.15 0.23 0.00 0.04 0.00 0.00 52.86 54.24 3ab4 s ASN 58 Cb 0.11 2.14 1.48 0.00 -1.54 0.00 0.00 41.25 43.44 3ab4 s ASN 58 CO 0.84 -0.22 2.13 1.55 -3.04 0.00 0.00 177.10 178.37 3ab4 h PRO 59 N 7.95 0.00 -3.83 0.43 0.13 -1.83 -3.15 132.00 131.70 3ab4 h PRO 59 Ca -0.20 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.30 3ab4 h PRO 59 Cb 1.13 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.86 3ab4 h PRO 59 CO 0.15 0.00 -0.69 0.08 -0.23 0.00 0.00 178.00 177.31 3ab4 s VAL 60 N -4.88 2.20 -0.16 1.56 1.01 -1.26 -4.99 120.40 113.88 3ab4 s VAL 60 Ca -0.05 -2.72 -0.29 0.00 0.00 0.00 0.00 61.98 58.92 3ab4 s VAL 60 Cb 0.17 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.96 3ab4 s VAL 60 CO 0.63 -0.73 1.15 -2.84 0.00 0.00 0.00 175.10 173.31 3ab4 s PRO 61 N 0.38 4.29 0.33 2.72 0.02 -1.19 -5.02 135.00 136.53 3ab4 s PRO 61 Ca 0.14 1.54 -0.28 0.00 0.02 0.00 0.00 61.00 62.42 3ab4 s PRO 61 Cb -0.23 -3.66 -0.10 0.00 0.02 0.00 0.00 34.50 30.54 3ab4 s PRO 61 CO -0.05 -0.58 1.20 -1.25 -0.33 0.00 0.00 177.00 175.99 3ab4 s PRO 62 N 2.97 4.38 0.54 5.54 0.04 -1.26 -4.91 135.00 142.30 3ab4 s PRO 62 Ca 0.51 1.99 0.31 0.00 0.04 0.00 0.00 61.00 63.84 3ab4 s PRO 62 Cb -0.20 -3.02 1.48 0.00 0.04 0.00 0.00 34.50 32.81 3ab4 s PRO 62 CO 0.14 -0.08 2.06 0.00 0.04 0.00 0.00 177.00 179.15 3ab4 h ALA 63 N 3.35 1.14 0.67 8.56 0.00 -1.99 -2.98 119.26 128.01 3ab4 h ALA 63 Ca -0.48 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.31 3ab4 h ALA 63 Cb 1.22 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 3ab4 h ALA 63 CO 0.65 0.12 -0.42 0.07 0.00 0.00 0.00 179.25 179.67 3ab4 h ARG 64 N 0.00 -0.99 -0.02 0.00 -0.00 -2.00 -1.92 114.38 109.45 3ab4 h ARG 64 Ca -0.00 0.07 -0.10 0.00 -0.00 0.00 0.00 59.98 59.95 3ab4 h ARG 64 Cb 0.39 0.22 -0.01 0.00 -0.00 0.00 0.00 29.97 30.58 3ab4 h ARG 64 CO 0.01 -0.66 -0.45 0.93 -0.00 0.00 0.00 179.97 179.80 3ab4 h GLU 65 N -1.03 0.04 -0.97 0.08 4.39 -1.93 -0.76 114.58 114.40 3ab4 h GLU 65 Ca -0.09 -0.02 0.12 0.00 0.34 0.00 0.00 59.36 59.71 3ab4 h GLU 65 Cb 0.83 -0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.40 3ab4 h GLU 65 CO 0.08 0.48 0.61 0.52 -1.16 0.00 0.00 179.01 179.55 3ab4 h MET 66 N 0.03 0.90 -0.01 2.33 2.86 -1.47 0.39 114.93 119.97 3ab4 h MET 66 Ca -0.00 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3ab4 h MET 66 Cb 0.81 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 32.27 3ab4 h MET 66 CO 0.06 0.60 -0.00 0.22 1.06 0.00 0.00 176.91 178.85 3ab4 h ASP 67 N 0.93 0.01 -0.70 1.22 1.82 -0.34 -1.66 116.42 117.71 3ab4 h ASP 67 Ca 0.47 -0.42 0.13 0.00 -0.39 0.00 0.00 57.03 56.82 3ab4 h ASP 67 Cb 0.51 -0.00 -0.09 0.00 0.68 0.00 0.00 39.33 40.42 3ab4 h ASP 67 CO -0.24 0.43 0.23 0.24 -1.61 0.00 0.00 179.24 178.30 3ab4 h MET 68 N -0.41 0.36 -0.07 0.28 2.86 -0.86 0.20 114.93 117.30 3ab4 h MET 68 Ca 0.00 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3ab4 h MET 68 Cb 0.43 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.00 3ab4 h MET 68 CO 0.00 0.24 0.03 1.25 1.06 0.00 0.00 176.91 179.49 3ab4 h LEU 69 N 0.37 0.09 -0.09 1.22 5.85 -0.09 -0.85 115.31 121.81 3ab4 h LEU 69 Ca 0.38 -0.13 -0.20 0.00 0.84 0.00 0.00 57.88 58.76 3ab4 h LEU 69 Cb 0.57 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 3ab4 h LEU 69 CO -0.40 0.20 -0.96 -0.07 -0.34 0.00 0.00 178.44 176.86 3ab4 h LEU 70 N -0.02 0.03 -0.64 2.25 3.38 -1.04 -2.32 115.31 116.95 3ab4 h LEU 70 Ca 0.02 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3ab4 h LEU 70 Cb 0.13 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3ab4 h LEU 70 CO -0.00 0.97 0.20 0.74 0.09 0.00 0.00 178.44 180.44 3ab4 h THR 71 N 0.01 1.25 -0.36 0.22 2.02 -0.92 -1.86 112.91 113.27 3ab4 h THR 71 Ca -0.02 -0.85 0.03 0.00 0.77 0.00 0.00 66.41 66.35 3ab4 h THR 71 Cb 1.69 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 68.66 3ab4 h THR 71 CO 0.13 0.33 0.16 0.00 0.37 0.00 0.00 175.52 176.51 3ab4 h ALA 72 N 1.08 0.44 -0.45 6.16 0.00 -1.02 0.14 119.26 125.60 3ab4 h ALA 72 Ca 0.21 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.23 3ab4 h ALA 72 Cb 0.29 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 17.97 3ab4 h ALA 72 CO -0.01 -0.22 -0.12 0.78 0.00 0.00 0.00 179.25 179.68 3ab4 h GLY 73 N 0.34 0.31 1.72 0.00 0.00 -1.18 -1.48 103.07 102.77 3ab4 h GLY 73 Ca 0.16 0.16 -0.09 0.00 0.00 0.00 0.00 47.33 47.56 3ab4 h GLY 73 CO -0.13 -0.18 -0.29 0.83 0.00 0.00 0.00 176.54 176.78 3ab4 h GLU 74 N -0.01 0.33 0.00 4.80 5.08 -1.12 -3.05 114.58 120.60 3ab4 h GLU 74 Ca 0.22 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 3ab4 h GLU 74 Cb 0.34 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 3ab4 h GLU 74 CO -0.47 0.59 -0.12 -0.09 -1.00 0.00 0.00 179.01 177.92 3ab4 h ARG 75 N 0.29 0.00 -0.23 2.33 9.65 0.30 -1.80 114.38 124.92 3ab4 h ARG 75 Ca 0.04 0.00 -0.14 0.00 -1.10 0.00 0.00 59.98 58.78 3ab4 h ARG 75 Cb 0.66 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.24 3ab4 h ARG 75 CO 0.05 0.12 -0.41 0.82 2.80 0.00 0.00 179.97 183.35 3ab4 h ILE 76 N 0.00 1.31 0.06 1.20 2.04 -1.30 -2.18 117.51 118.64 3ab4 h ILE 76 Ca -0.00 -1.62 -0.00 0.00 1.00 0.00 0.00 64.86 64.24 3ab4 h ILE 76 Cb 0.45 1.76 0.00 0.00 -0.74 0.00 0.00 36.82 38.30 3ab4 h ILE 76 CO 0.02 0.51 -0.03 0.28 0.00 0.00 0.00 178.15 178.93 3ab4 h SER 77 N 0.41 -0.07 -0.63 1.72 0.02 -1.53 -2.60 113.55 110.87 3ab4 h SER 77 Ca 0.01 -0.18 0.11 0.00 -0.84 0.00 0.00 61.79 60.89 3ab4 h SER 77 Cb 1.01 0.02 -0.12 0.00 0.14 0.00 0.00 62.40 63.45 3ab4 h SER 77 CO 0.09 0.15 -0.35 0.78 -1.14 0.00 0.00 176.83 176.36 3ab4 h ASN 78 N -0.28 -1.23 -0.40 3.07 -0.26 -1.39 0.40 115.58 115.48 3ab4 h ASN 78 Ca -0.01 0.24 0.05 0.00 -0.56 0.00 0.00 56.30 56.02 3ab4 h ASN 78 Cb 0.25 0.61 -0.05 0.00 -1.06 0.00 0.00 38.32 38.07 3ab4 h ASN 78 CO 0.01 -0.31 0.14 0.00 -1.06 0.00 0.00 177.43 176.21 3ab4 h ALA 79 N 0.99 0.47 -0.33 -0.83 0.00 -1.36 0.71 119.26 118.91 3ab4 h ALA 79 Ca 0.24 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.08 3ab4 h ALA 79 Cb 0.56 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3ab4 h ALA 79 CO -0.71 -0.25 -0.25 -0.07 0.00 0.00 0.00 179.25 177.97 3ab4 h LEU 80 N 0.29 0.78 -0.46 0.00 3.38 -0.93 -0.74 115.31 117.64 3ab4 h LEU 80 Ca 0.19 -0.44 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 3ab4 h LEU 80 Cb 0.18 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3ab4 h LEU 80 CO -0.20 1.06 0.16 0.58 0.09 0.00 0.00 178.44 180.13 3ab4 h VAL 81 N 0.51 1.22 -0.21 1.22 2.07 -0.12 -0.51 116.25 120.43 3ab4 h VAL 81 Ca 0.06 -0.71 0.05 0.00 0.82 0.00 0.00 66.70 66.93 3ab4 h VAL 81 Cb 0.81 0.82 -0.07 0.00 -1.52 0.00 0.00 31.29 31.32 3ab4 h VAL 81 CO 0.07 0.26 -0.37 0.00 0.02 0.00 0.00 177.57 177.55 3ab4 h ALA 82 N 1.01 -0.41 -0.81 1.67 0.00 -0.70 0.17 119.26 120.19 3ab4 h ALA 82 Ca 0.15 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.17 3ab4 h ALA 82 Cb 0.24 0.72 -0.07 0.00 0.00 0.00 0.00 17.79 18.68 3ab4 h ALA 82 CO -0.01 -0.83 0.47 0.52 0.00 0.00 0.00 179.25 179.40 3ab4 h MET 83 N -0.39 0.79 -0.12 0.00 2.07 -0.89 -1.92 114.93 114.47 3ab4 h MET 83 Ca 0.11 -0.05 -0.01 0.00 -2.07 0.00 0.00 59.70 57.68 3ab4 h MET 83 Cb 0.58 -0.18 -0.00 0.00 -1.87 0.00 0.00 31.60 30.12 3ab4 h MET 83 CO -0.43 0.52 0.02 0.00 1.07 0.00 0.00 176.91 178.10 3ab4 h ALA 84 N 1.43 0.15 -0.39 6.32 0.00 -0.15 -2.51 119.26 124.11 3ab4 h ALA 84 Ca 0.38 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 3ab4 h ALA 84 Cb 0.29 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3ab4 h ALA 84 CO -0.22 -0.20 0.02 -0.84 0.00 0.00 0.00 179.25 178.01 3ab4 h ILE 85 N -0.03 1.21 -0.01 0.00 -0.00 -0.41 -2.60 117.51 115.67 3ab4 h ILE 85 Ca 0.04 -0.81 -0.08 0.00 -0.00 0.00 0.00 64.86 64.01 3ab4 h ILE 85 Cb 0.27 0.88 -0.01 0.00 -0.00 0.00 0.00 36.82 37.96 3ab4 h ILE 85 CO 0.00 0.28 -0.36 -0.33 -0.00 0.00 0.00 178.15 177.75 3ab4 h GLU 86 N 0.59 0.02 0.00 0.16 5.08 -1.12 -1.35 114.58 117.96 3ab4 h GLU 86 Ca 0.13 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3ab4 h GLU 86 Cb 0.33 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3ab4 h GLU 86 CO 0.01 0.38 0.00 -1.13 -1.00 0.00 0.00 179.01 177.27 3ab4 n SER 87 N -4.11 0.50 -1.13 1.42 3.41 -0.97 -1.29 113.62 111.46 3ab4 n SER 87 Ca -0.02 0.58 0.07 0.00 -0.26 0.00 0.00 58.87 59.24 3ab4 n SER 87 Cb 0.40 -0.70 0.24 0.00 -0.26 0.00 0.00 64.21 63.89 3ab4 n SER 87 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3ab4 n LEU 88 N -2.01 3.27 -0.20 1.04 7.99 -0.52 -4.96 117.00 121.62 3ab4 n LEU 88 Ca 0.04 -1.65 -0.03 0.00 -0.01 0.00 0.00 56.01 54.37 3ab4 n LEU 88 Cb 0.30 -0.44 -0.01 0.00 -0.11 0.00 0.00 43.42 43.16 3ab4 n LEU 88 CO 0.23 0.62 -0.02 0.61 -1.51 0.00 0.00 177.39 177.32 3ab4 n GLY 89 N 0.99 0.59 3.95 -0.72 0.00 -0.41 -5.04 105.19 104.54 3ab4 n GLY 89 Ca 0.18 -0.54 -0.24 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.02 3.86 0.18 4.61 0.00 -1.17 -5.03 121.76 122.19 3ab4 s ALA 90 Ca 0.00 -1.01 -0.09 0.00 0.00 0.00 0.00 51.96 50.86 3ab4 s ALA 90 Cb 0.00 -1.90 -0.07 0.00 0.00 0.00 0.00 23.12 21.15 3ab4 s ALA 90 CO 0.00 0.29 0.48 -1.21 0.00 0.00 0.00 175.76 175.32 3ab4 s GLU 91 N -3.74 3.76 -0.12 0.00 2.02 -1.26 -4.00 118.70 115.35 3ab4 s GLU 91 Ca 0.37 0.17 -0.06 0.00 0.02 0.00 0.00 54.97 55.47 3ab4 s GLU 91 Cb -0.10 -2.76 0.05 0.00 0.10 0.00 0.00 34.13 31.42 3ab4 s GLU 91 CO 0.30 0.39 0.27 0.00 0.02 0.00 0.00 175.26 176.25 3ab4 s ALA 92 N -1.71 -0.63 0.08 5.21 0.00 -1.26 -1.43 121.76 122.02 3ab4 s ALA 92 Ca 0.44 1.07 0.07 0.00 0.00 0.00 0.00 51.96 53.53 3ab4 s ALA 92 Cb -0.12 -0.77 -0.04 0.00 0.00 0.00 0.00 23.12 22.20 3ab4 s ALA 92 CO 0.22 -0.31 -0.12 -1.14 0.00 0.00 0.00 175.76 174.41 3ab4 s GLN 93 N 1.55 2.14 -0.06 0.00 0.74 -1.06 -4.97 119.66 118.00 3ab4 s GLN 93 Ca -0.07 -0.99 0.05 0.00 0.05 0.00 0.00 55.36 54.40 3ab4 s GLN 93 Cb -0.11 -2.29 -0.01 0.00 1.10 0.00 0.00 33.01 31.70 3ab4 s GLN 93 CO -0.09 0.52 -0.23 -1.12 -0.55 0.00 0.00 175.29 173.82 3ab4 s SER 94 N -1.96 3.20 0.08 6.67 0.01 -1.26 -1.76 113.70 118.67 3ab4 s SER 94 Ca 0.19 -0.48 0.05 0.00 1.31 0.00 0.00 55.95 57.02 3ab4 s SER 94 Cb -0.11 -0.93 -0.03 0.00 0.21 0.00 0.00 66.02 65.16 3ab4 s SER 94 CO 0.11 0.24 -0.14 -0.36 0.41 0.00 0.00 173.24 173.50 3ab4 s PHE 95 N -0.13 1.22 -0.33 2.43 0.08 -0.97 -5.03 117.98 115.24 3ab4 s PHE 95 Ca -0.04 -0.48 0.03 0.00 0.12 0.00 0.00 56.93 56.56 3ab4 s PHE 95 Cb -0.14 -0.68 0.16 0.00 -0.57 0.00 0.00 43.02 41.80 3ab4 s PHE 95 CO 0.04 0.06 0.44 0.99 -0.10 0.00 0.00 175.22 176.65 3ab4 s THR 96 N -1.45 -0.63 0.00 0.64 2.01 -1.26 -1.37 115.64 113.59 3ab4 s THR 96 Ca -0.01 -0.42 0.00 0.00 0.31 0.00 0.00 61.69 61.58 3ab4 s THR 96 Cb -0.09 -0.75 0.00 0.00 0.01 0.00 0.00 72.50 71.67 3ab4 s THR 96 CO 0.02 -0.31 0.00 0.61 -0.69 0.00 0.00 174.62 174.26 3ab4 n GLY 97 N 4.92 -2.30 0.00 4.40 0.00 -1.26 -4.89 105.19 106.06 3ab4 n GLY 97 Ca 0.05 0.79 0.00 0.00 0.00 0.00 0.00 46.02 46.86 3ab4 n GLY 97 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3ab4 n THR 117 N 0.00 0.00 -0.28 2.61 5.66 -1.26 -2.98 114.28 118.03 3ab4 n THR 117 Ca 0.00 0.00 0.06 0.00 -3.05 0.00 0.00 64.05 61.06 3ab4 n THR 117 Cb 0.00 0.00 0.16 0.00 -1.55 0.00 0.00 70.33 68.94 3ab4 n THR 117 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 175.07 171.37 3ab4 h PRO 118 N 0.00 0.06 -0.10 1.09 0.11 -1.97 0.60 132.00 131.78 3ab4 h PRO 118 Ca 0.00 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.09 3ab4 h PRO 118 Cb 0.00 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.09 3ab4 h PRO 118 CO 0.00 0.04 0.01 0.78 -0.21 0.00 0.00 178.00 178.62 3ab4 h GLY 119 N 0.06 0.18 2.00 -0.55 0.00 -1.97 0.29 103.07 103.08 3ab4 h GLY 119 Ca 0.43 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.64 3ab4 h GLY 119 CO -0.75 0.11 0.00 0.07 0.00 0.00 0.00 176.54 175.97 3ab4 h ARG 120 N -0.07 0.00 0.23 4.80 0.11 -1.50 -2.56 114.38 115.39 3ab4 h ARG 120 Ca 0.03 0.00 -0.33 0.00 0.10 0.00 0.00 59.98 59.78 3ab4 h ARG 120 Cb 0.30 0.00 0.03 0.00 1.11 0.00 0.00 29.97 31.40 3ab4 h ARG 120 CO 0.00 0.00 -1.53 0.28 0.10 0.00 0.00 179.97 178.82 3ab4 h VAL 121 N 0.00 1.18 -0.37 0.08 2.07 0.49 -3.38 116.25 116.32 3ab4 h VAL 121 Ca 0.00 -2.62 0.03 0.00 0.82 0.00 0.00 66.70 64.93 3ab4 h VAL 121 Cb 0.39 2.96 -0.03 0.00 -1.52 0.00 0.00 31.29 33.09 3ab4 h VAL 121 CO 0.00 0.82 0.16 -0.09 0.02 0.00 0.00 177.57 178.48 3ab4 h ARG 122 N 0.09 0.32 -6.77 1.57 9.65 -0.02 -2.73 114.38 116.50 3ab4 h ARG 122 Ca -0.28 -0.02 -0.50 0.00 -1.10 0.00 0.00 59.98 58.08 3ab4 h ARG 122 Cb 2.11 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 30.62 3ab4 h ARG 122 CO 0.23 0.21 0.43 -1.21 2.80 0.00 0.00 179.97 182.43 3ab4 s GLU 123 N -6.16 4.72 0.00 0.20 2.02 -1.12 -1.33 118.70 117.03 3ab4 s GLU 123 Ca -0.13 1.67 0.00 0.00 0.02 0.00 0.00 54.97 56.53 3ab4 s GLU 123 Cb 0.12 -3.23 0.00 0.00 0.10 0.00 0.00 34.13 31.11 3ab4 s GLU 123 CO 0.71 0.32 0.00 0.00 0.02 0.00 0.00 175.26 176.31 3ab4 n ALA 124 N 1.43 0.00 -0.16 5.21 0.00 -1.26 -4.73 120.51 121.01 3ab4 n ALA 124 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.32 3ab4 n ALA 124 Cb 0.46 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.90 3ab4 n ALA 124 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3ab4 h LEU 125 N 0.00 0.94 -1.01 0.00 5.85 -1.35 0.39 115.31 120.13 3ab4 h LEU 125 Ca 0.00 -0.38 -0.06 0.00 0.84 0.00 0.00 57.88 58.29 3ab4 h LEU 125 Cb 0.00 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 3ab4 h LEU 125 CO 0.00 1.11 0.08 0.44 -0.34 0.00 0.00 178.44 179.73 3ab4 h ASP 126 N 0.77 0.75 -0.22 1.25 3.32 -1.48 -2.65 116.42 118.17 3ab4 h ASP 126 Ca 0.11 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 56.96 3ab4 h ASP 126 Cb 0.72 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 3ab4 h ASP 126 CO 0.05 0.77 -0.02 -0.08 -1.72 0.00 0.00 179.24 178.24 3ab4 h GLU 127 N 0.76 0.52 0.00 3.56 4.22 -1.73 -3.47 114.58 118.45 3ab4 h GLU 127 Ca 0.16 -0.12 0.00 0.00 0.08 0.00 0.00 59.36 59.49 3ab4 h GLU 127 Cb 0.34 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3ab4 h GLU 127 CO 0.01 0.56 0.00 0.41 -2.18 0.00 0.00 179.01 177.81 3ab4 n GLY 128 N -0.84 1.06 3.75 1.92 0.00 0.28 -5.01 105.19 106.34 3ab4 n GLY 128 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 4.81 -0.28 1.61 1.02 0.11 -4.74 119.74 122.27 3ab4 s LYS 129 Ca 0.00 1.51 -0.29 0.00 0.02 0.00 0.00 55.97 57.21 3ab4 s LYS 129 Cb 0.00 -3.29 -0.00 0.00 -0.52 0.00 0.00 37.83 34.02 3ab4 s LYS 129 CO 0.00 0.43 1.29 0.42 -0.92 0.00 0.00 175.35 176.57 3ab4 s ILE 130 N -0.94 4.17 -0.42 2.17 1.01 -0.51 -4.23 121.20 122.44 3ab4 s ILE 130 Ca 0.43 1.33 -0.17 0.00 0.00 0.00 0.00 60.65 62.24 3ab4 s ILE 130 Cb -0.26 -4.14 0.02 0.00 0.01 0.00 0.00 42.46 38.09 3ab4 s ILE 130 CO 0.32 -0.43 0.42 0.00 0.00 0.00 0.00 174.94 175.26 3ab4 s ILE 132 N 2.07 5.09 0.01 0.00 -5.25 -0.72 -1.34 121.20 121.06 3ab4 s ILE 132 Ca 0.11 0.85 0.04 0.00 -0.99 0.00 0.00 60.65 60.65 3ab4 s ILE 132 Cb -0.18 -3.73 -0.01 0.00 2.95 0.00 0.00 42.46 41.49 3ab4 s ILE 132 CO 0.13 0.50 -0.12 -0.69 -1.79 0.00 0.00 174.94 172.96 3ab4 s VAL 133 N -0.50 0.95 -0.09 8.37 1.01 -0.08 -2.30 120.40 127.76 3ab4 s VAL 133 Ca 0.24 -0.70 0.16 0.00 0.00 0.00 0.00 61.98 61.68 3ab4 s VAL 133 Cb -0.16 -0.83 0.33 0.00 0.00 0.00 0.00 36.38 35.72 3ab4 s VAL 133 CO 0.12 0.13 1.15 0.00 0.00 0.00 0.00 175.10 176.50 3ab4 n ALA 134 N 2.41 2.71 -2.00 5.51 0.00 -0.47 -4.35 120.51 124.32 3ab4 n ALA 134 Ca -0.16 -2.48 0.00 0.00 0.00 0.00 0.00 53.44 50.81 3ab4 n ALA 134 Cb 0.56 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.49 3ab4 n ALA 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ab4 n GLY 135 N -0.42 0.23 3.52 0.00 0.00 -1.26 -4.60 105.19 102.66 3ab4 n GLY 135 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 3ab4 n GLY 135 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ab4 s PHE 136 N 0.50 0.60 0.24 1.61 -0.71 -1.16 -4.78 117.98 114.29 3ab4 s PHE 136 Ca 0.00 -0.93 0.12 0.00 -1.04 0.00 0.00 56.93 55.08 3ab4 s PHE 136 Cb 0.00 0.05 0.85 0.00 -1.21 0.00 0.00 43.02 42.71 3ab4 s PHE 136 CO 0.00 -0.99 1.08 1.47 -1.34 0.00 0.00 175.22 175.43 3ab4 n LEU 149 N -0.41 0.18 0.00 -1.99 -0.00 -1.26 -4.60 117.00 108.92 3ab4 n LEU 149 Ca -0.01 1.14 0.00 0.00 -0.00 0.00 0.00 56.01 57.14 3ab4 n LEU 149 Cb 0.62 -0.53 0.00 0.00 -0.00 0.00 0.00 43.42 43.51 3ab4 n LEU 149 CO 0.25 -1.25 0.00 0.61 -0.00 0.00 0.00 177.39 177.00 3ab4 n GLY 150 N -1.21 -1.02 3.86 1.47 0.00 -1.26 -5.06 105.19 101.97 3ab4 n GLY 150 Ca 0.24 -1.59 -0.37 0.00 0.00 0.00 0.00 46.02 44.30 3ab4 n GLY 150 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ab4 s ARG 151 N -0.24 3.64 -0.09 1.61 3.52 -1.26 -5.06 118.95 121.07 3ab4 s ARG 151 Ca 0.00 0.05 -0.29 0.00 -0.13 0.00 0.00 55.73 55.35 3ab4 s ARG 151 Cb 0.00 -3.21 -0.05 0.00 -1.56 0.00 0.00 34.95 30.12 3ab4 s ARG 151 CO 0.00 0.72 1.74 0.20 -0.81 0.00 0.00 175.30 177.15 3ab4 s GLY 152 N -0.95 1.37 0.58 8.12 0.00 -1.26 -5.01 107.32 110.17 3ab4 s GLY 152 Ca 0.18 0.89 -0.05 0.00 0.00 0.00 0.00 44.72 45.73 3ab4 s GLY 152 CO 0.07 3.17 0.79 0.61 0.00 0.00 0.00 173.10 177.73 3ab4 n GLY 153 N 4.45 -0.29 0.32 0.20 0.00 -1.26 -4.83 105.19 103.78 3ab4 n GLY 153 Ca 0.19 -1.86 -0.01 0.00 0.00 0.00 0.00 46.02 44.34 3ab4 n GLY 153 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3ab4 h SER 154 N -0.78 0.76 -0.21 1.61 4.64 -1.95 -2.05 113.55 115.59 3ab4 h SER 154 Ca -0.26 -0.07 -0.08 0.00 -0.47 0.00 0.00 61.79 60.91 3ab4 h SER 154 Cb 0.82 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.71 3ab4 h SER 154 CO 0.23 0.65 -0.17 0.44 -0.87 0.00 0.00 176.83 177.10 3ab4 h ASP 155 N 0.85 0.51 -0.42 4.97 3.45 -1.97 -2.15 116.42 121.67 3ab4 h ASP 155 Ca 0.21 -0.46 -0.14 0.00 0.43 0.00 0.00 57.03 57.07 3ab4 h ASP 155 Cb 0.08 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 38.70 3ab4 h ASP 155 CO -0.03 0.86 -0.30 0.71 -1.57 0.00 0.00 179.24 178.92 3ab4 h THR 156 N 0.16 1.27 -0.22 0.35 1.35 -1.90 -1.74 112.91 112.19 3ab4 h THR 156 Ca 0.04 -1.47 -0.05 0.00 -0.55 0.00 0.00 66.41 64.38 3ab4 h THR 156 Cb 0.70 1.29 -0.01 0.00 -1.73 0.00 0.00 68.15 68.40 3ab4 h THR 156 CO 0.04 0.50 -0.08 0.00 -0.25 0.00 0.00 175.52 175.73 3ab4 h THR 157 N 0.77 1.18 0.35 6.82 1.03 -1.41 0.47 112.91 122.13 3ab4 h THR 157 Ca 0.08 -0.78 -0.02 0.00 -0.01 0.00 0.00 66.41 65.69 3ab4 h THR 157 Cb 0.88 1.11 0.00 0.00 -1.07 0.00 0.00 68.15 69.08 3ab4 h THR 157 CO 0.08 0.25 -0.17 0.00 -0.01 0.00 0.00 175.52 175.67 3ab4 h ALA 158 N 1.60 -0.47 -0.22 0.00 0.00 -1.01 -1.12 119.26 118.03 3ab4 h ALA 158 Ca 0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3ab4 h ALA 158 Cb 0.36 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3ab4 h ALA 158 CO 0.02 -0.76 0.06 0.28 0.00 0.00 0.00 179.25 178.85 3ab4 h VAL 159 N -0.48 1.20 -0.72 0.00 2.07 -0.83 -1.86 116.25 115.63 3ab4 h VAL 159 Ca -0.05 -0.64 0.14 0.00 0.82 0.00 0.00 66.70 66.98 3ab4 h VAL 159 Cb 0.37 1.21 -0.10 0.00 -1.52 0.00 0.00 31.29 31.25 3ab4 h VAL 159 CO 0.08 0.20 0.23 0.00 0.02 0.00 0.00 177.57 178.10 3ab4 h ALA 160 N 0.88 0.97 -0.62 1.67 0.00 -0.08 0.17 119.26 122.25 3ab4 h ALA 160 Ca 0.07 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3ab4 h ALA 160 Cb 0.25 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3ab4 h ALA 160 CO -0.00 -0.27 0.25 -0.07 0.00 0.00 0.00 179.25 179.16 3ab4 h LEU 161 N 0.35 0.85 -1.16 0.00 3.38 -1.01 -1.49 115.31 116.22 3ab4 h LEU 161 Ca 0.40 -0.17 0.06 0.00 0.09 0.00 0.00 57.88 58.26 3ab4 h LEU 161 Cb 0.64 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 3ab4 h LEU 161 CO -0.44 0.78 0.58 0.00 0.09 0.00 0.00 178.44 179.45 3ab4 h ALA 162 N 1.10 1.51 0.16 1.53 0.00 -0.14 -0.70 119.26 122.72 3ab4 h ALA 162 Ca 0.21 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3ab4 h ALA 162 Cb 0.19 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3ab4 h ALA 162 CO -0.02 0.36 -0.08 0.00 0.00 0.00 0.00 179.25 179.52 3ab4 h ALA 163 N 1.51 -0.21 -0.94 0.00 0.00 -1.25 0.88 119.26 119.24 3ab4 h ALA 163 Ca 0.38 -0.16 0.18 0.00 0.00 0.00 0.00 54.91 55.31 3ab4 h ALA 163 Cb 0.17 0.08 -0.18 0.00 0.00 0.00 0.00 17.79 17.87 3ab4 h ALA 163 CO -0.14 -0.23 -0.25 0.00 0.00 0.00 0.00 179.25 178.64 3ab4 n ALA 164 N -2.68 0.20 0.44 0.00 0.00 -0.57 0.64 120.51 118.54 3ab4 n ALA 164 Ca -0.05 1.03 0.11 0.00 0.00 0.00 0.00 53.44 54.52 3ab4 n ALA 164 Cb 0.20 -0.60 0.26 0.00 0.00 0.00 0.00 19.45 19.30 3ab4 n ALA 164 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ab4 n LEU 165 N -5.52 3.03 -3.51 0.00 4.77 -0.28 -5.00 117.00 110.49 3ab4 n LEU 165 Ca 0.15 -1.36 -0.16 0.00 -0.03 0.00 0.00 56.01 54.61 3ab4 n LEU 165 Cb 0.46 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3ab4 n LEU 165 CO -0.11 0.68 -0.03 -3.20 -1.33 0.00 0.00 177.39 173.39 3ab4 n ASN 166 N 1.19 -5.98 -4.88 -1.43 4.05 0.21 -4.97 115.26 103.46 3ab4 n ASN 166 Ca 0.19 -0.60 -0.30 0.00 0.45 0.00 0.00 54.58 54.33 3ab4 n ASN 166 Cb 0.52 -3.03 -0.02 0.00 1.23 0.00 0.00 39.78 38.48 3ab4 n ASN 166 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3ab4 s ALA 167 N -2.94 3.32 0.21 5.20 0.00 0.28 -5.00 121.76 122.84 3ab4 s ALA 167 Ca 0.02 -0.25 -0.04 0.00 0.00 0.00 0.00 51.96 51.68 3ab4 s ALA 167 Cb -0.00 -2.73 0.17 0.00 0.00 0.00 0.00 23.12 20.55 3ab4 s ALA 167 CO 0.84 -0.17 1.60 -0.44 0.00 0.00 0.00 175.76 177.59 3ab4 h ASP 168 N 0.83 0.77 -5.02 0.00 3.32 -1.47 -3.45 116.42 111.39 3ab4 h ASP 168 Ca -0.47 -0.30 -0.08 0.00 0.02 0.00 0.00 57.03 56.21 3ab4 h ASP 168 Cb 1.19 -0.21 -0.17 0.00 0.22 0.00 0.00 39.33 40.36 3ab4 h ASP 168 CO 0.63 1.01 -0.05 0.54 -1.72 0.00 0.00 179.24 179.65 3ab4 s VAL 169 N -4.50 0.04 -0.28 -1.35 0.11 -1.20 -4.44 120.40 108.79 3ab4 s VAL 169 Ca -0.09 -0.33 0.02 0.00 -2.93 0.00 0.00 61.98 58.65 3ab4 s VAL 169 Cb 0.13 -0.92 0.06 0.00 -1.53 0.00 0.00 36.38 34.12 3ab4 s VAL 169 CO 0.84 -0.18 -0.07 0.00 -3.33 0.00 0.00 175.10 172.36 3ab4 s GLU 171 N 1.12 4.32 -0.34 0.00 2.02 -0.32 -0.90 118.70 124.58 3ab4 s GLU 171 Ca -0.06 0.73 -0.06 0.00 0.02 0.00 0.00 54.97 55.60 3ab4 s GLU 171 Cb -0.20 -3.51 0.05 0.00 0.10 0.00 0.00 34.13 30.57 3ab4 s GLU 171 CO -0.04 -0.09 0.11 0.42 0.02 0.00 0.00 175.26 175.67 3ab4 s ILE 172 N 1.38 3.67 -0.21 -1.63 1.09 0.22 -0.69 121.20 125.03 3ab4 s ILE 172 Ca 0.32 -1.26 -0.10 0.00 -1.10 0.00 0.00 60.65 58.52 3ab4 s ILE 172 Cb -0.16 -3.13 -0.05 0.00 -1.06 0.00 0.00 42.46 38.06 3ab4 s ILE 172 CO 0.13 -0.23 0.14 -0.31 -0.10 0.00 0.00 174.94 174.57 3ab4 s TYR 173 N 1.36 3.38 0.00 3.97 2.02 0.52 -1.63 117.35 126.97 3ab4 s TYR 173 Ca -0.01 0.29 0.00 0.00 -0.37 0.00 0.00 57.07 56.98 3ab4 s TYR 173 Cb -0.20 -2.20 0.00 0.00 -0.40 0.00 0.00 41.96 39.16 3ab4 s TYR 173 CO 0.02 0.21 0.00 -1.13 -1.57 0.00 0.00 175.55 173.07 3ab4 n SER 174 N 3.80 0.00 0.00 2.29 3.41 -0.88 -2.28 113.62 119.96 3ab4 n SER 174 Ca -0.16 -0.72 0.11 0.00 -0.26 0.00 0.00 58.87 57.85 3ab4 n SER 174 Cb 0.52 0.00 0.53 0.00 -0.26 0.00 0.00 64.21 65.00 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 -1.52 0.00 -4.78 4.04 3.85 -1.26 -2.11 116.55 114.77 3ab4 n ASP 175 Ca 0.00 0.34 -0.38 0.00 -0.71 0.00 0.00 54.79 54.03 3ab4 n ASP 175 Cb 0.00 -0.44 -0.06 0.00 -1.35 0.00 0.00 41.12 39.27 3ab4 n ASP 175 CO 0.00 0.00 0.00 0.68 -1.01 0.00 0.00 177.20 176.87 3ab4 s VAL 176 N -2.87 5.01 -1.94 2.12 -7.23 -1.26 -4.90 120.40 109.32 3ab4 s VAL 176 Ca 0.15 1.04 0.23 0.00 -1.81 0.00 0.00 61.98 61.58 3ab4 s VAL 176 Cb 0.16 -3.83 0.66 0.00 0.56 0.00 0.00 36.38 33.92 3ab4 s VAL 176 CO 0.41 0.45 1.55 -0.90 -0.31 0.00 0.00 175.10 176.30 3ab4 n ASP 177 N 2.65 4.03 0.00 4.85 5.75 -1.26 -3.02 116.55 129.55 3ab4 n ASP 177 Ca -0.09 -2.02 0.00 0.00 -0.01 0.00 0.00 54.79 52.66 3ab4 n ASP 177 Cb 0.51 -0.50 0.00 0.00 -1.03 0.00 0.00 41.12 40.10 3ab4 n ASP 177 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ab4 n GLY 178 N 1.64 -2.74 3.66 6.12 0.00 -1.26 -3.98 105.19 108.63 3ab4 n GLY 178 Ca 0.25 -1.31 -0.35 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.12 4.18 0.18 1.61 0.11 -1.26 -4.94 120.40 118.16 3ab4 s VAL 179 Ca 0.00 -0.30 0.10 0.00 -2.93 0.00 0.00 61.98 58.86 3ab4 s VAL 179 Cb 0.00 -2.75 -0.04 0.00 -1.53 0.00 0.00 36.38 32.06 3ab4 s VAL 179 CO 0.00 0.60 -0.19 -0.31 -3.33 0.00 0.00 175.10 171.87 3ab4 s TYR 180 N -0.85 2.42 0.57 1.54 2.02 -1.26 -0.62 117.35 121.17 3ab4 s TYR 180 Ca 0.13 -0.31 0.28 0.00 -0.37 0.00 0.00 57.07 56.79 3ab4 s TYR 180 Cb -0.11 -1.21 1.72 0.00 -0.40 0.00 0.00 41.96 41.96 3ab4 s TYR 180 CO 0.02 0.49 2.23 1.79 -1.57 0.00 0.00 175.55 178.51 3ab4 h THR 181 N 3.14 0.60 -3.21 -0.71 1.35 -1.65 -3.45 112.91 108.97 3ab4 h THR 181 Ca -0.47 -0.04 0.02 0.00 -0.55 0.00 0.00 66.41 65.37 3ab4 h THR 181 Cb 1.20 1.03 -0.06 0.00 -1.73 0.00 0.00 68.15 68.59 3ab4 h THR 181 CO 0.49 0.01 0.12 0.00 -0.25 0.00 0.00 175.52 175.89 3ab4 s ALA 182 N -4.66 -0.86 -0.22 6.62 0.00 -1.26 0.27 121.76 121.65 3ab4 s ALA 182 Ca -0.05 -0.53 -0.29 0.00 0.00 0.00 0.00 51.96 51.09 3ab4 s ALA 182 Cb 0.15 0.91 -0.02 0.00 0.00 0.00 0.00 23.12 24.16 3ab4 s ALA 182 CO 0.57 -0.98 1.45 0.34 0.00 0.00 0.00 175.76 177.14 3ab4 s ASP 183 N -2.97 6.62 0.54 0.00 3.68 -1.26 -4.80 116.67 118.47 3ab4 s ASP 183 Ca 0.15 1.56 0.33 0.00 2.13 0.00 0.00 52.55 56.72 3ab4 s ASP 183 Cb -0.04 -2.54 1.30 0.00 -1.45 0.00 0.00 42.92 40.19 3ab4 s ASP 183 CO 0.08 -1.07 1.96 -0.65 0.13 0.00 0.00 175.17 175.62 3ab4 h PRO 184 N 9.64 0.00 0.16 4.34 0.11 -1.86 0.18 132.00 144.57 3ab4 h PRO 184 Ca -0.30 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.80 3ab4 h PRO 184 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3ab4 h PRO 184 CO 1.00 0.00 -0.08 0.00 -0.21 0.00 0.00 178.00 178.71 3ab4 h ARG 185 N 0.00 -0.21 0.18 1.05 3.08 -1.94 -3.32 114.38 113.21 3ab4 h ARG 185 Ca 0.00 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 3ab4 h ARG 185 Cb 0.53 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.63 3ab4 h ARG 185 CO 0.00 -0.07 -0.09 0.82 -1.07 0.00 0.00 179.97 179.57 3ab4 h ILE 186 N -0.31 0.87 -3.30 2.04 1.08 -1.86 -3.45 117.51 112.58 3ab4 h ILE 186 Ca -0.02 -1.03 -0.58 0.00 -0.39 0.00 0.00 64.86 62.84 3ab4 h ILE 186 Cb 0.24 1.41 -0.09 0.00 -3.07 0.00 0.00 36.82 35.31 3ab4 h ILE 186 CO 0.04 0.21 -0.22 -0.69 -0.69 0.00 0.00 178.15 176.79 3ab4 s VAL 187 N -3.73 5.23 0.01 1.67 1.01 0.58 -4.99 120.40 120.18 3ab4 s VAL 187 Ca -0.13 0.77 -0.13 0.00 0.00 0.00 0.00 61.98 62.49 3ab4 s VAL 187 Cb 0.01 -3.73 -0.07 0.00 0.00 0.00 0.00 36.38 32.58 3ab4 s VAL 187 CO 0.51 0.36 0.95 1.55 0.00 0.00 0.00 175.10 178.47 3ab4 h PRO 188 N 6.63 -0.46 0.00 2.72 0.13 -1.87 -3.39 132.00 135.76 3ab4 h PRO 188 Ca -0.41 0.03 -0.19 0.00 -0.87 0.00 0.00 66.00 64.56 3ab4 h PRO 188 Cb 1.17 0.11 0.11 0.00 0.13 0.00 0.00 31.00 32.52 3ab4 h PRO 188 CO 0.75 -0.31 -0.07 0.09 -0.23 0.00 0.00 178.00 178.23 3ab4 n ASN 189 N -3.62 -2.94 0.00 1.44 4.13 -1.26 -4.98 115.26 108.03 3ab4 n ASN 189 Ca -0.06 -0.50 0.00 0.00 1.68 0.00 0.00 54.58 55.70 3ab4 n ASN 189 Cb 0.19 -0.51 0.00 0.00 -1.54 0.00 0.00 39.78 37.92 3ab4 n ASN 189 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3ab4 n ALA 190 N -4.40 0.00 -2.66 5.41 0.00 -1.26 -4.76 120.51 112.84 3ab4 n ALA 190 Ca -0.10 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.14 3ab4 n ALA 190 Cb 0.31 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.62 3ab4 n ALA 190 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3ab4 s GLN 191 N -4.95 0.86 0.32 0.00 -0.21 -1.26 -4.95 119.66 109.48 3ab4 s GLN 191 Ca 0.00 -0.54 -0.29 0.00 0.02 0.00 0.00 55.36 54.55 3ab4 s GLN 191 Cb 0.00 -0.83 -0.12 0.00 1.00 0.00 0.00 33.01 33.06 3ab4 s GLN 191 CO 0.00 0.22 1.50 1.17 -2.12 0.00 0.00 175.29 176.06 3ab4 n LYS 192 N 2.41 2.56 -2.95 2.91 4.81 -1.26 -2.07 118.16 124.57 3ab4 n LYS 192 Ca -0.16 0.90 -0.40 0.00 -0.87 0.00 0.00 58.31 57.79 3ab4 n LYS 192 Cb 0.56 -2.63 -0.05 0.00 0.02 0.00 0.00 35.03 32.92 3ab4 n LYS 192 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3ab4 s LEU 193 N -1.02 4.48 0.01 3.14 2.01 0.21 -4.90 118.68 122.61 3ab4 s LEU 193 Ca 0.60 1.53 -0.21 0.00 0.01 0.00 0.00 54.13 56.05 3ab4 s LEU 193 Cb -0.51 -3.29 -0.18 0.00 0.01 0.00 0.00 46.19 42.22 3ab4 s LEU 193 CO 0.55 0.03 1.24 -0.33 1.01 0.00 0.00 176.35 178.85 3ab4 h GLU 194 N 5.47 0.31 -3.72 1.70 5.08 -1.88 -3.36 114.58 118.17 3ab4 h GLU 194 Ca -0.44 -0.21 -0.10 0.00 -1.00 0.00 0.00 59.36 57.60 3ab4 h GLU 194 Cb 1.21 0.03 -0.16 0.00 0.50 0.00 0.00 28.75 30.33 3ab4 h GLU 194 CO 0.70 0.82 -0.41 -1.59 -1.00 0.00 0.00 179.01 177.53 3ab4 s LYS 195 N -3.89 0.74 -0.01 2.33 -2.85 -1.26 -0.87 119.74 113.93 3ab4 s LYS 195 Ca -0.14 -0.81 -0.29 0.00 -1.00 0.00 0.00 55.97 53.73 3ab4 s LYS 195 Cb 0.04 0.30 0.08 0.00 -2.06 0.00 0.00 37.83 36.18 3ab4 s LYS 195 CO 0.76 -0.22 0.69 -0.48 0.10 0.00 0.00 175.35 176.20 3ab4 s LEU 196 N -2.45 -0.61 0.73 2.77 2.34 -0.32 -4.91 118.68 116.23 3ab4 s LEU 196 Ca -0.00 0.52 -0.12 0.00 0.06 0.00 0.00 54.13 54.59 3ab4 s LEU 196 Cb 0.02 2.49 0.03 0.00 -0.56 0.00 0.00 46.19 48.17 3ab4 s LEU 196 CO -0.07 -0.67 1.09 -0.94 -1.06 0.00 0.00 176.35 174.70 3ab4 s SER 197 N -1.56 4.81 0.24 1.48 1.04 -1.26 0.13 113.70 118.57 3ab4 s SER 197 Ca -0.07 1.83 -0.09 0.00 0.48 0.00 0.00 55.95 58.10 3ab4 s SER 197 Cb -0.00 -2.52 0.37 0.00 0.10 0.00 0.00 66.02 63.96 3ab4 s SER 197 CO 0.04 -1.83 1.63 -0.26 0.98 0.00 0.00 173.24 173.80 3ab4 h PHE 198 N -0.75 -0.16 0.00 5.02 0.04 -1.72 -2.15 116.94 117.22 3ab4 h PHE 198 Ca -0.44 0.06 -0.09 0.00 2.80 0.00 0.00 57.97 60.30 3ab4 h PHE 198 Cb 1.23 0.18 -0.01 0.00 2.20 0.00 0.00 35.95 39.55 3ab4 h PHE 198 CO 0.58 -0.26 -0.41 1.05 -0.60 0.00 0.00 178.31 178.67 3ab4 h GLU 199 N 0.07 0.00 -0.16 1.51 9.09 -1.92 0.55 114.58 123.71 3ab4 h GLU 199 Ca 0.38 0.00 -0.15 0.00 0.05 0.00 0.00 59.36 59.64 3ab4 h GLU 199 Cb 0.64 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.73 3ab4 h GLU 199 CO -0.67 0.41 -0.52 0.93 0.05 0.00 0.00 179.01 179.20 3ab4 h GLU 200 N 0.00 0.45 -0.20 1.06 5.08 -1.84 -2.04 114.58 117.10 3ab4 h GLU 200 Ca -0.00 -0.27 -0.11 0.00 -1.00 0.00 0.00 59.36 57.97 3ab4 h GLU 200 Cb 1.14 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 3ab4 h GLU 200 CO 0.05 0.87 -0.30 1.98 -1.00 0.00 0.00 179.01 180.61 3ab4 h MET 201 N 0.36 0.55 -0.86 2.33 4.05 -0.93 -2.06 114.93 118.36 3ab4 h MET 201 Ca 0.01 -0.33 0.13 0.00 -0.28 0.00 0.00 59.70 59.23 3ab4 h MET 201 Cb 1.03 0.03 -0.09 0.00 -0.80 0.00 0.00 31.60 31.78 3ab4 h MET 201 CO 0.09 0.93 0.48 -0.07 0.23 0.00 0.00 176.91 178.57 3ab4 h LEU 202 N 0.22 0.63 -0.07 3.39 -0.00 -0.88 0.25 115.31 118.84 3ab4 h LEU 202 Ca 0.02 0.07 -0.19 0.00 -0.00 0.00 0.00 57.88 57.78 3ab4 h LEU 202 Cb 0.88 -0.04 0.01 0.00 -0.00 0.00 0.00 40.66 41.52 3ab4 h LEU 202 CO 0.07 0.30 -0.69 -0.08 -0.00 0.00 0.00 178.44 178.05 3ab4 h GLU 203 N 0.72 0.60 -0.60 1.13 4.57 -1.29 -0.38 114.58 119.33 3ab4 h GLU 203 Ca 0.45 -0.54 -0.07 0.00 -1.18 0.00 0.00 59.36 58.02 3ab4 h GLU 203 Cb 0.56 0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 29.25 3ab4 h GLU 203 CO -0.32 1.16 0.12 -0.07 -1.18 0.00 0.00 179.01 178.72 3ab4 h LEU 204 N 0.22 0.93 -0.39 1.64 3.38 -1.19 -2.27 115.31 117.64 3ab4 h LEU 204 Ca -0.07 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3ab4 h LEU 204 Cb 1.35 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3ab4 h LEU 204 CO 0.14 0.94 0.00 0.00 0.09 0.00 0.00 178.44 179.61 3ab4 n ALA 205 N -2.43 1.68 0.09 1.53 0.00 0.06 -2.44 120.51 119.01 3ab4 n ALA 205 Ca 0.03 0.02 0.04 0.00 0.00 0.00 0.00 53.44 53.54 3ab4 n ALA 205 Cb 0.26 -1.33 -0.01 0.00 0.00 0.00 0.00 19.45 18.37 3ab4 n ALA 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ab4 h ALA 206 N 2.38 0.65 -0.53 0.00 0.00 -0.47 -3.40 119.26 117.90 3ab4 h ALA 206 Ca 0.00 -0.48 -0.38 0.00 0.00 0.00 0.00 54.91 54.04 3ab4 h ALA 206 Cb 0.33 0.10 -0.35 0.00 0.00 0.00 0.00 17.79 17.87 3ab4 h ALA 206 CO 0.00 0.56 -0.82 1.33 0.00 0.00 0.00 179.25 180.32 3ab4 n VAL 207 N -2.95 2.16 0.00 0.00 0.24 -1.04 -4.98 118.33 111.75 3ab4 n VAL 207 Ca -0.03 -3.69 0.00 0.00 -2.04 0.00 0.00 64.34 58.57 3ab4 n VAL 207 Cb 0.72 -0.49 0.00 0.00 -1.47 0.00 0.00 33.84 32.60 3ab4 n VAL 207 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ab4 n GLY 208 N -0.71 3.82 2.82 7.63 0.00 -1.18 -3.96 105.19 113.60 3ab4 n GLY 208 Ca 0.32 -0.85 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 3ab4 n GLY 208 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3ab4 n SER 209 N 0.00 3.97 -4.26 1.61 2.88 -1.02 -4.84 113.62 111.96 3ab4 n SER 209 Ca 0.00 -2.53 -0.44 0.00 -1.33 0.00 0.00 58.87 54.57 3ab4 n SER 209 Cb 0.00 -1.17 0.00 0.00 -0.75 0.00 0.00 64.21 62.29 3ab4 n SER 209 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 3ab4 n LYS 210 N 5.55 3.54 -0.00 -1.46 4.81 -1.26 -4.18 118.16 125.17 3ab4 n LYS 210 Ca 0.49 -3.90 -0.17 0.00 -0.87 0.00 0.00 58.31 53.86 3ab4 n LYS 210 Cb 0.28 -2.90 -0.12 0.00 0.02 0.00 0.00 35.03 32.30 3ab4 n LYS 210 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 3ab4 h ILE 211 N 4.17 1.54 -1.89 3.15 1.08 -1.94 -3.47 117.51 120.16 3ab4 h ILE 211 Ca 0.31 -2.21 -0.51 0.00 -0.39 0.00 0.00 64.86 62.06 3ab4 h ILE 211 Cb 0.79 2.94 -0.05 0.00 -3.07 0.00 0.00 36.82 37.43 3ab4 h ILE 211 CO 1.32 0.62 -0.48 -0.76 -0.69 0.00 0.00 178.15 178.16 3ab4 s LEU 212 N -8.24 3.54 -0.23 1.44 2.01 -1.26 -5.08 118.68 110.86 3ab4 s LEU 212 Ca -0.15 -0.53 -0.23 0.00 0.01 0.00 0.00 54.13 53.23 3ab4 s LEU 212 Cb 0.01 -2.12 -0.01 0.00 0.01 0.00 0.00 46.19 44.08 3ab4 s LEU 212 CO 0.78 -0.31 0.73 0.68 1.01 0.00 0.00 176.35 179.25 3ab4 s VAL 213 N -2.31 4.92 0.44 -1.59 -7.23 -1.26 -4.94 120.40 108.42 3ab4 s VAL 213 Ca 0.39 1.37 0.36 0.00 -1.81 0.00 0.00 61.98 62.29 3ab4 s VAL 213 Cb -0.05 -4.03 0.54 0.00 0.56 0.00 0.00 36.38 33.40 3ab4 s VAL 213 CO 0.25 0.00 1.43 0.18 -0.31 0.00 0.00 175.10 176.65 3ab4 n LEU 214 N 5.66 0.12 -0.01 1.32 4.77 -1.26 -1.17 117.00 126.43 3ab4 n LEU 214 Ca 0.02 1.14 -0.14 0.00 -0.03 0.00 0.00 56.01 57.00 3ab4 n LEU 214 Cb 0.48 -0.56 -0.02 0.00 -2.33 0.00 0.00 43.42 40.99 3ab4 n LEU 214 CO 0.45 -1.21 0.35 0.03 -1.33 0.00 0.00 177.39 175.69 3ab4 h ARG 215 N 0.00 0.68 0.04 3.23 -0.00 -1.99 -1.68 114.38 114.65 3ab4 h ARG 215 Ca 0.83 -0.51 -0.22 0.00 -0.50 0.00 0.00 59.98 59.58 3ab4 h ARG 215 Cb 2.92 0.09 -0.01 0.00 0.00 0.00 0.00 29.97 32.97 3ab4 h ARG 215 CO -0.27 1.13 -1.00 0.66 0.00 0.00 0.00 179.97 180.49 3ab4 h SER 216 N 0.48 0.25 0.36 7.04 4.64 -1.49 -2.24 113.55 122.59 3ab4 h SER 216 Ca -0.03 -0.23 -0.07 0.00 -0.47 0.00 0.00 61.79 61.00 3ab4 h SER 216 Cb 1.29 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 3ab4 h SER 216 CO 0.14 1.10 -0.32 0.58 -0.87 0.00 0.00 176.83 177.45 3ab4 h VAL 217 N 0.08 1.18 -0.16 0.95 2.07 -1.38 0.74 116.25 119.73 3ab4 h VAL 217 Ca -0.06 -1.12 -0.09 0.00 0.82 0.00 0.00 66.70 66.25 3ab4 h VAL 217 Cb 1.69 1.61 -0.00 0.00 -1.52 0.00 0.00 31.29 33.07 3ab4 h VAL 217 CO 0.15 0.32 -0.23 -0.08 0.02 0.00 0.00 177.57 177.74 3ab4 h GLU 218 N 0.00 0.44 -0.79 1.57 4.57 -1.17 -1.23 114.58 117.98 3ab4 h GLU 218 Ca -0.00 -0.26 0.03 0.00 -1.18 0.00 0.00 59.36 57.95 3ab4 h GLU 218 Cb 0.59 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.15 3ab4 h GLU 218 CO 0.04 0.85 0.51 1.88 -1.18 0.00 0.00 179.01 181.11 3ab4 h TYR 219 N 0.08 0.95 -0.29 0.92 0.99 -1.19 -1.12 116.97 117.30 3ab4 h TYR 219 Ca 0.02 0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.73 3ab4 h TYR 219 Cb 0.80 -0.31 -0.02 0.00 1.00 0.00 0.00 36.73 38.20 3ab4 h TYR 219 CO 0.09 0.55 -0.00 0.00 -0.00 0.00 0.00 178.16 178.80 3ab4 h ALA 220 N 1.33 1.46 -0.08 3.88 0.00 -0.74 -2.49 119.26 122.62 3ab4 h ALA 220 Ca 0.32 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3ab4 h ALA 220 Cb 0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3ab4 h ALA 220 CO -0.11 0.39 -0.07 -0.09 0.00 0.00 0.00 179.25 179.36 3ab4 h ARG 221 N 0.43 0.19 0.00 0.00 2.43 -0.38 0.13 114.38 117.17 3ab4 h ARG 221 Ca 0.10 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3ab4 h ARG 221 Cb 0.29 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.84 3ab4 h ARG 221 CO 0.01 0.61 -0.09 0.00 -1.51 0.00 0.00 179.97 178.99 3ab4 h ALA 222 N 0.57 1.05 -0.12 2.80 0.00 -0.99 -2.89 119.26 119.68 3ab4 h ALA 222 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3ab4 h ALA 222 Cb 0.57 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3ab4 h ALA 222 CO 0.02 0.12 0.00 1.19 0.00 0.00 0.00 179.25 180.57 3ab4 n PHE 223 N -3.27 0.22 -3.85 0.00 3.72 -0.96 -5.00 117.46 108.31 3ab4 n PHE 223 Ca -0.00 -0.62 -0.24 0.00 -0.05 0.00 0.00 57.45 56.55 3ab4 n PHE 223 Cb 0.32 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.78 3ab4 n PHE 223 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3ab4 n ASN 224 N -0.38 -0.66 -4.45 4.37 5.15 -0.77 -4.94 115.26 113.59 3ab4 n ASN 224 Ca 0.08 -0.93 -0.44 0.00 -0.60 0.00 0.00 54.58 52.69 3ab4 n ASN 224 Cb 0.42 -3.47 -0.06 0.00 -0.53 0.00 0.00 39.78 36.14 3ab4 n ASN 224 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3ab4 s VAL 225 N -3.84 4.79 0.32 3.44 1.01 0.37 -5.03 120.40 121.46 3ab4 s VAL 225 Ca 0.00 -0.46 -0.29 0.00 0.00 0.00 0.00 61.98 61.24 3ab4 s VAL 225 Cb -0.00 -4.36 -0.11 0.00 0.00 0.00 0.00 36.38 31.91 3ab4 s VAL 225 CO 0.86 -0.90 1.45 -2.84 0.00 0.00 0.00 175.10 173.67 3ab4 s PRO 226 N 2.84 4.21 0.06 2.72 0.02 -1.26 -4.73 135.00 138.86 3ab4 s PRO 226 Ca 0.17 2.42 0.07 0.00 0.02 0.00 0.00 61.00 63.68 3ab4 s PRO 226 Cb -0.19 -3.04 -0.04 0.00 0.02 0.00 0.00 34.50 31.26 3ab4 s PRO 226 CO 0.12 -0.44 -0.14 -0.51 -0.33 0.00 0.00 177.00 175.70 3ab4 s LEU 227 N -1.29 2.83 -0.15 -5.54 1.43 -1.08 -0.42 118.68 114.47 3ab4 s LEU 227 Ca 0.55 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 3ab4 s LEU 227 Cb -0.44 -1.66 0.03 0.00 0.03 0.00 0.00 46.19 44.15 3ab4 s LEU 227 CO 0.53 0.23 -0.11 -0.60 0.23 0.00 0.00 176.35 176.63 3ab4 s ARG 228 N -1.76 1.96 -0.34 1.70 3.52 -0.08 -0.21 118.95 123.73 3ab4 s ARG 228 Ca 0.17 -0.53 -0.22 0.00 -0.13 0.00 0.00 55.73 55.02 3ab4 s ARG 228 Cb -0.11 -2.03 0.00 0.00 -1.56 0.00 0.00 34.95 31.26 3ab4 s ARG 228 CO 0.09 -0.30 0.72 0.08 -0.81 0.00 0.00 175.30 175.08 3ab4 s VAL 229 N 1.54 4.81 0.14 7.11 1.01 -0.56 0.73 120.40 135.19 3ab4 s VAL 229 Ca 0.03 0.84 0.00 0.00 0.00 0.00 0.00 61.98 62.86 3ab4 s VAL 229 Cb -0.14 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 3ab4 s VAL 229 CO -0.09 -0.33 0.03 -0.13 0.00 0.00 0.00 175.10 174.57 3ab4 s ARG 230 N 2.90 0.98 -0.13 2.72 0.52 -0.64 -1.72 118.95 123.58 3ab4 s ARG 230 Ca 0.29 -1.46 -0.11 0.00 -0.52 0.00 0.00 55.73 53.92 3ab4 s ARG 230 Cb -0.14 0.02 -0.05 0.00 0.52 0.00 0.00 34.95 35.30 3ab4 s ARG 230 CO 0.15 -0.19 0.24 0.45 0.02 0.00 0.00 175.30 175.96 3ab4 s SER 231 N -3.09 6.45 0.00 0.23 0.15 -1.17 -2.07 113.70 114.20 3ab4 s SER 231 Ca 0.23 0.53 0.27 0.00 0.70 0.00 0.00 55.95 57.68 3ab4 s SER 231 Cb 0.07 -2.14 0.87 0.00 -1.71 0.00 0.00 66.02 63.10 3ab4 s SER 231 CO 0.02 0.25 1.65 -1.54 1.20 0.00 0.00 173.24 174.82 3ab4 n SER 232 N 2.74 0.54 0.04 5.45 3.41 -0.90 -3.59 113.62 121.31 3ab4 n SER 232 Ca -0.16 -0.38 0.06 0.00 -0.26 0.00 0.00 58.87 58.13 3ab4 n SER 232 Cb 0.53 0.03 -0.07 0.00 -0.26 0.00 0.00 64.21 64.44 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 -1.15 0.75 -4.52 7.33 4.01 -1.26 -4.89 117.16 117.44 3ab4 n TYR 233 Ca 0.10 0.23 -0.25 0.00 -0.16 0.00 0.00 57.90 57.82 3ab4 n TYR 233 Cb 0.32 -0.93 -0.09 0.00 -0.31 0.00 0.00 39.34 38.33 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 -5.38 2.77 -0.25 7.72 1.04 -1.24 -5.06 113.70 113.31 3ab4 s SER 234 Ca -0.03 -1.56 0.13 0.00 0.48 0.00 0.00 55.95 54.96 3ab4 s SER 234 Cb 0.10 0.29 0.59 0.00 0.10 0.00 0.00 66.02 67.10 3ab4 s SER 234 CO 0.82 -0.81 1.55 0.59 0.98 0.00 0.00 173.24 176.37 3ab4 n ASN 235 N -1.08 3.87 -4.75 7.02 3.02 -1.26 -4.70 115.26 117.39 3ab4 n ASN 235 Ca -0.06 -3.24 -0.41 0.00 -0.03 0.00 0.00 54.58 50.84 3ab4 n ASN 235 Cb 0.66 -0.62 -0.03 0.00 -0.61 0.00 0.00 39.78 39.18 3ab4 n ASN 235 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3ab4 s ASP 236 N -1.81 6.85 0.60 6.41 2.15 -1.26 -4.93 116.67 124.68 3ab4 s ASP 236 Ca 0.47 2.52 0.39 0.00 0.43 0.00 0.00 52.55 56.35 3ab4 s ASP 236 Cb 0.39 -2.63 1.88 0.00 -0.30 0.00 0.00 42.92 42.26 3ab4 s ASP 236 CO 0.08 -0.53 2.17 -0.65 -0.17 0.00 0.00 175.17 176.07 3ab4 h PRO 237 N 4.60 0.00 0.00 4.34 0.11 -1.94 -3.41 132.00 135.69 3ab4 h PRO 237 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3ab4 h PRO 237 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3ab4 h PRO 237 CO 0.73 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.93 3ab4 n GLY 238 N -0.53 -0.60 3.64 -0.55 0.00 -1.26 -4.77 105.19 101.12 3ab4 n GLY 238 Ca -0.01 -1.12 -0.35 0.00 0.00 0.00 0.00 46.02 44.54 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 4.35 -0.12 2.61 2.01 -0.70 -4.76 115.64 119.03 3ab4 s THR 239 Ca 0.00 -0.22 -0.22 0.00 0.31 0.00 0.00 61.69 61.56 3ab4 s THR 239 Cb 0.00 -2.87 -0.03 0.00 0.01 0.00 0.00 72.50 69.61 3ab4 s THR 239 CO 0.00 0.55 0.67 -0.22 -0.69 0.00 0.00 174.62 174.93 3ab4 s LEU 240 N -0.37 4.25 -0.48 4.42 2.96 -0.05 -1.50 118.68 127.92 3ab4 s LEU 240 Ca 0.07 1.04 -0.17 0.00 -0.22 0.00 0.00 54.13 54.86 3ab4 s LEU 240 Cb -0.12 -3.00 0.06 0.00 0.50 0.00 0.00 46.19 43.63 3ab4 s LEU 240 CO 0.02 -0.18 0.47 -0.63 -1.32 0.00 0.00 176.35 174.71 3ab4 s ILE 241 N 1.24 5.12 0.00 6.68 1.09 0.70 -1.17 121.20 134.85 3ab4 s ILE 241 Ca 0.34 -0.84 0.00 0.00 -1.10 0.00 0.00 60.65 59.05 3ab4 s ILE 241 Cb -0.17 -4.17 0.00 0.00 -1.06 0.00 0.00 42.46 37.06 3ab4 s ILE 241 CO 0.14 -0.64 0.00 0.00 -0.10 0.00 0.00 174.94 174.35 3ab4 n ALA 242 N 5.53 0.00 -2.60 9.38 0.00 0.34 -2.63 120.51 130.53 3ab4 n ALA 242 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3ab4 n ALA 242 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 3ab4 n ALA 242 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ab4 n GLY 243 N 4.09 4.46 3.81 0.00 0.00 -1.26 -4.57 105.19 111.72 3ab4 n GLY 243 Ca 0.00 -2.05 -0.33 0.00 0.00 0.00 0.00 46.02 43.64 3ab4 n GLY 243 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ab4 s SER 244 N -0.19 6.47 0.49 1.61 0.15 -1.26 -2.37 113.70 118.60 3ab4 s SER 244 Ca 0.00 1.78 0.29 0.00 0.70 0.00 0.00 55.95 58.71 3ab4 s SER 244 Cb 0.00 -2.54 1.10 0.00 -1.71 0.00 0.00 66.02 62.87 3ab4 s SER 244 CO 0.00 -0.69 1.89 0.00 1.20 0.00 0.00 173.24 175.64 3ab4 h MET 245 N 1.35 0.00 0.00 5.44 -0.00 -1.98 -2.26 114.93 117.49 3ab4 h MET 245 Ca -0.48 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.21 3ab4 h MET 245 Cb 1.20 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.80 3ab4 h MET 245 CO 0.60 0.10 -0.05 0.93 -0.00 0.00 0.00 176.91 178.49 3ab4 h GLU 246 N 0.00 0.00 -0.44 -0.10 3.07 -2.02 -2.92 114.58 112.17 3ab4 h GLU 246 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3ab4 h GLU 246 Cb 0.65 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.56 3ab4 h GLU 246 CO 0.01 0.05 0.00 -0.25 -1.40 0.00 0.00 179.01 177.42 3ab4 n ASP 247 N -3.22 3.33 -4.75 1.42 10.43 -0.86 -4.99 116.55 117.92 3ab4 n ASP 247 Ca -0.01 -1.95 -0.41 0.00 2.57 0.00 0.00 54.79 55.00 3ab4 n ASP 247 Cb 0.26 -0.29 -0.03 0.00 1.84 0.00 0.00 41.12 42.90 3ab4 n ASP 247 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3ab4 s ILE 248 N -1.18 3.22 0.17 0.53 1.01 -1.10 -4.97 121.20 118.87 3ab4 s ILE 248 Ca 0.35 1.12 -0.33 0.00 0.00 0.00 0.00 60.65 61.80 3ab4 s ILE 248 Cb 0.20 -3.72 -0.13 0.00 0.01 0.00 0.00 42.46 38.82 3ab4 s ILE 248 CO 0.27 0.23 1.69 -2.65 0.00 0.00 0.00 174.94 174.47 3ab4 n PRO 249 N 1.67 2.53 -0.30 2.79 -0.02 -1.26 -4.88 135.00 135.52 3ab4 n PRO 249 Ca 0.02 0.91 -0.01 0.00 -2.02 0.00 0.00 63.50 62.41 3ab4 n PRO 249 Cb 0.43 -2.74 0.12 0.00 -0.02 0.00 0.00 33.50 31.30 3ab4 n PRO 249 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 3ab4 h VAL 250 N 3.88 1.08 -0.00 -1.45 3.04 -1.97 -0.60 116.25 120.22 3ab4 h VAL 250 Ca -0.44 -0.33 0.00 0.00 -1.01 0.00 0.00 66.70 64.91 3ab4 h VAL 250 Cb 1.23 0.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.52 3ab4 h VAL 250 CO 0.93 0.18 -0.11 -0.62 -1.01 0.00 0.00 177.57 176.94 3ab4 n GLU 251 N -4.61 0.83 0.07 4.17 4.71 -1.26 -2.66 120.64 121.89 3ab4 n GLU 251 Ca 0.11 -0.32 -0.15 0.00 -0.01 0.00 0.00 57.16 56.79 3ab4 n GLU 251 Cb 0.14 -1.49 -0.14 0.00 -1.01 0.00 0.00 31.44 28.93 3ab4 n GLU 251 CO 0.00 0.00 0.00 1.05 0.09 0.00 0.00 177.13 178.27 3ab4 h GLU 252 N 0.78 0.21 -5.77 3.49 4.11 -1.49 -3.46 114.58 112.45 3ab4 h GLU 252 Ca 0.00 -0.37 -0.59 0.00 0.07 0.00 0.00 59.36 58.47 3ab4 h GLU 252 Cb 0.36 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 3ab4 h GLU 252 CO 0.00 1.10 1.52 0.00 0.07 0.00 0.00 179.01 181.70 3ab4 n ALA 253 N -2.59 0.97 -4.15 1.06 0.00 -0.97 -4.90 120.51 109.94 3ab4 n ALA 253 Ca -0.12 -0.31 -0.13 0.00 0.00 0.00 0.00 53.44 52.88 3ab4 n ALA 253 Cb 1.03 -2.69 -0.03 0.00 0.00 0.00 0.00 19.45 17.75 3ab4 n ALA 253 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3ab4 n VAL 254 N 7.48 0.00 -3.00 0.00 3.14 -1.26 -3.58 118.33 121.11 3ab4 n VAL 254 Ca 0.43 -1.04 -0.40 0.00 -2.96 0.00 0.00 64.34 60.36 3ab4 n VAL 254 Cb 0.29 0.28 -0.05 0.00 -1.06 0.00 0.00 33.84 33.31 3ab4 n VAL 254 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 3ab4 s LEU 255 N 0.00 4.27 -0.22 6.55 1.43 -1.26 -0.51 118.68 128.94 3ab4 s LEU 255 Ca 0.04 1.18 -0.14 0.00 -1.03 0.00 0.00 54.13 54.18 3ab4 s LEU 255 Cb 0.00 -3.13 -0.18 0.00 0.03 0.00 0.00 46.19 42.92 3ab4 s LEU 255 CO 0.03 -0.20 0.00 0.41 0.23 0.00 0.00 176.35 176.82 3ab4 n THR 256 N 4.07 1.57 -3.61 5.49 -1.04 0.37 -4.95 114.28 116.18 3ab4 n THR 256 Ca 0.00 -0.30 -0.04 0.00 -2.04 0.00 0.00 64.05 61.67 3ab4 n THR 256 Cb 0.51 -1.87 -0.03 0.00 -1.82 0.00 0.00 70.33 67.11 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 -5.37 -0.19 -0.08 3.41 0.00 -0.97 -4.54 107.32 99.59 3ab4 s GLY 257 Ca -0.32 1.97 -0.10 0.00 0.00 0.00 0.00 44.72 46.27 3ab4 s GLY 257 CO 0.59 0.74 0.25 0.14 0.00 0.00 0.00 173.10 174.82 3ab4 s VAL 258 N -1.89 5.31 0.37 1.40 1.01 0.14 -1.38 120.40 125.37 3ab4 s VAL 258 Ca 0.08 0.47 0.05 0.00 0.00 0.00 0.00 61.98 62.57 3ab4 s VAL 258 Cb -0.01 -3.53 -0.06 0.00 0.00 0.00 0.00 36.38 32.77 3ab4 s VAL 258 CO -0.05 0.58 0.04 0.00 0.00 0.00 0.00 175.10 175.68 3ab4 s ALA 259 N -0.90 2.79 0.12 5.51 0.00 -0.57 -4.18 121.76 124.53 3ab4 s ALA 259 Ca 0.18 -1.96 -0.14 0.00 0.00 0.00 0.00 51.96 50.04 3ab4 s ALA 259 Cb -0.14 0.47 0.02 0.00 0.00 0.00 0.00 23.12 23.47 3ab4 s ALA 259 CO 0.07 -0.23 0.34 -0.08 0.00 0.00 0.00 175.76 175.86 3ab4 s THR 260 N -3.07 0.09 -0.30 0.00 -1.32 -1.25 -2.44 115.64 107.35 3ab4 s THR 260 Ca 0.33 -0.75 -0.11 0.00 -1.21 0.00 0.00 61.69 59.94 3ab4 s THR 260 Cb 0.08 -1.22 0.12 0.00 -1.51 0.00 0.00 72.50 69.97 3ab4 s THR 260 CO 0.15 -0.41 0.67 -0.62 -2.21 0.00 0.00 174.62 172.21 3ab4 s ASP 261 N -2.82 -1.09 -0.09 8.08 2.15 -0.59 -4.28 116.67 118.02 3ab4 s ASP 261 Ca 0.04 1.53 0.13 0.00 0.43 0.00 0.00 52.55 54.68 3ab4 s ASP 261 Cb 0.03 2.11 0.25 0.00 -0.30 0.00 0.00 42.92 45.01 3ab4 s ASP 261 CO -0.12 -0.22 1.16 2.29 -0.17 0.00 0.00 175.17 178.11 3ab4 n LYS 262 N 5.21 2.10 0.00 4.34 2.85 -1.26 -1.46 118.16 129.94 3ab4 n LYS 262 Ca -0.13 -2.30 0.14 0.00 -1.05 0.00 0.00 58.31 54.97 3ab4 n LYS 262 Cb 0.51 -1.40 0.53 0.00 -0.65 0.00 0.00 35.03 34.02 3ab4 n LYS 262 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 3ab4 n SER 263 N -0.90 1.07 -4.74 -5.58 3.41 -1.26 -4.96 113.62 100.66 3ab4 n SER 263 Ca 0.12 -1.13 -0.27 0.00 -0.26 0.00 0.00 58.87 57.33 3ab4 n SER 263 Cb 0.56 0.03 -0.07 0.00 -0.26 0.00 0.00 64.21 64.47 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 -2.23 2.70 0.11 4.33 8.01 -1.26 -1.03 118.70 129.33 3ab4 s GLU 264 Ca 0.33 -0.93 0.08 0.00 0.01 0.00 0.00 54.97 54.46 3ab4 s GLU 264 Cb 0.20 -2.55 -0.04 0.00 -4.31 0.00 0.00 34.13 27.44 3ab4 s GLU 264 CO 0.42 0.49 -0.12 0.00 0.01 0.00 0.00 175.26 176.05 3ab4 s ALA 265 N -1.66 2.87 -0.19 5.21 0.00 0.79 -4.25 121.76 124.54 3ab4 s ALA 265 Ca 0.29 -1.28 -0.04 0.00 0.00 0.00 0.00 51.96 50.93 3ab4 s ALA 265 Cb -0.10 -0.82 -0.02 0.00 0.00 0.00 0.00 23.12 22.18 3ab4 s ALA 265 CO 0.21 0.63 -0.02 0.21 0.00 0.00 0.00 175.76 176.78 3ab4 s LYS 266 N -2.19 3.57 -0.12 0.00 2.20 0.27 -0.71 119.74 122.76 3ab4 s LYS 266 Ca 0.20 -0.55 0.01 0.00 -0.36 0.00 0.00 55.97 55.28 3ab4 s LYS 266 Cb -0.11 -3.00 -0.01 0.00 -1.51 0.00 0.00 37.83 33.20 3ab4 s LYS 266 CO 0.13 0.04 -0.18 0.08 -0.36 0.00 0.00 175.35 175.06 3ab4 s VAL 267 N 0.91 2.62 -0.13 4.02 1.01 0.21 -1.16 120.40 127.89 3ab4 s VAL 267 Ca 0.00 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.19 3ab4 s VAL 267 Cb -0.14 -2.07 0.01 0.00 0.00 0.00 0.00 36.38 34.18 3ab4 s VAL 267 CO 0.01 0.54 -0.20 -0.89 0.00 0.00 0.00 175.10 174.57 3ab4 s THR 268 N 0.40 1.86 -0.29 3.92 2.01 -0.80 0.09 115.64 122.82 3ab4 s THR 268 Ca -0.13 -0.86 -0.10 0.00 0.31 0.00 0.00 61.69 60.91 3ab4 s THR 268 Cb -0.17 -1.66 -0.03 0.00 0.01 0.00 0.00 72.50 70.66 3ab4 s THR 268 CO 0.06 0.51 0.17 -0.69 -0.69 0.00 0.00 174.62 173.98 3ab4 s VAL 269 N 0.87 4.95 -0.09 3.82 1.01 0.11 -0.09 120.40 130.98 3ab4 s VAL 269 Ca -0.07 -0.09 -0.10 0.00 0.00 0.00 0.00 61.98 61.72 3ab4 s VAL 269 Cb -0.15 -3.42 -0.05 0.00 0.00 0.00 0.00 36.38 32.76 3ab4 s VAL 269 CO -0.02 0.18 0.22 -0.76 0.00 0.00 0.00 175.10 174.73 3ab4 s LEU 270 N 1.69 4.40 -0.51 3.92 1.43 -0.32 -1.34 118.68 127.96 3ab4 s LEU 270 Ca 0.06 0.61 -0.02 0.00 -1.03 0.00 0.00 54.13 53.75 3ab4 s LEU 270 Cb -0.16 -2.23 0.00 0.00 0.03 0.00 0.00 46.19 43.83 3ab4 s LEU 270 CO 0.08 0.36 0.21 0.61 0.23 0.00 0.00 176.35 177.84 3ab4 n GLY 271 N 2.05 0.29 3.74 -3.19 0.00 -0.95 -1.55 105.19 105.59 3ab4 n GLY 271 Ca -0.18 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.75 3.87 0.15 -0.61 1.09 0.14 -4.30 121.20 118.80 3ab4 s ILE 272 Ca 0.10 1.67 -0.31 0.00 -1.10 0.00 0.00 60.65 61.00 3ab4 s ILE 272 Cb -0.05 -4.06 -0.10 0.00 -1.06 0.00 0.00 42.46 37.20 3ab4 s ILE 272 CO 0.13 0.31 1.53 -0.94 -0.10 0.00 0.00 174.94 175.87 3ab4 s SER 273 N -0.30 6.63 -1.41 3.58 1.04 -1.26 0.35 113.70 122.33 3ab4 s SER 273 Ca 0.48 2.56 -0.09 0.00 0.48 0.00 0.00 55.95 59.37 3ab4 s SER 273 Cb -0.29 -2.59 -0.08 0.00 0.10 0.00 0.00 66.02 63.16 3ab4 s SER 273 CO 0.35 -0.79 2.69 -0.67 0.98 0.00 0.00 173.24 175.80 3ab4 n ASP 274 N 3.98 7.48 -4.08 7.02 4.64 -1.26 -4.81 116.55 129.52 3ab4 n ASP 274 Ca 0.13 -2.51 -0.16 0.00 -1.38 0.00 0.00 54.79 50.87 3ab4 n ASP 274 Cb 0.39 -1.43 -0.12 0.00 -1.04 0.00 0.00 41.12 38.92 3ab4 n ASP 274 CO 0.00 0.00 0.00 -0.75 -0.82 0.00 0.00 177.20 175.63 3ab4 s LYS 275 N 2.58 0.67 0.50 -0.67 2.20 -1.26 -4.91 119.74 118.85 3ab4 s LYS 275 Ca 0.61 -0.69 -0.21 0.00 -0.36 0.00 0.00 55.97 55.31 3ab4 s LYS 275 Cb 0.16 -0.57 -0.08 0.00 -1.51 0.00 0.00 37.83 35.82 3ab4 s LYS 275 CO -0.05 0.13 0.94 -2.30 -0.36 0.00 0.00 175.35 173.71 3ab4 n PRO 276 N 1.80 1.10 0.00 4.03 -0.02 -1.26 -3.44 135.00 137.22 3ab4 n PRO 276 Ca -0.20 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 3ab4 n PRO 276 Cb 0.55 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 3ab4 n PRO 276 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ab4 n GLY 277 N 1.28 0.79 0.09 -1.23 0.00 -1.26 -4.98 105.19 99.89 3ab4 n GLY 277 Ca 0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 3ab4 n GLY 277 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ab4 h GLU 278 N 3.58 0.00 -0.51 1.61 3.07 -1.88 -3.07 114.58 117.39 3ab4 h GLU 278 Ca 0.00 0.00 0.09 0.00 -0.50 0.00 0.00 59.36 58.95 3ab4 h GLU 278 Cb 0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 27.84 3ab4 h GLU 278 CO 0.00 0.94 0.11 0.00 -1.40 0.00 0.00 179.01 178.66 3ab4 h ALA 279 N -0.39 0.58 -0.79 3.43 0.00 -1.91 -1.60 119.26 118.58 3ab4 h ALA 279 Ca -0.24 0.10 0.18 0.00 0.00 0.00 0.00 54.91 54.96 3ab4 h ALA 279 Cb 1.17 0.14 -0.14 0.00 0.00 0.00 0.00 17.79 18.96 3ab4 h ALA 279 CO -0.14 -0.30 0.02 0.00 0.00 0.00 0.00 179.25 178.82 3ab4 h ALA 280 N 1.39 0.84 -0.56 0.00 0.00 -1.99 -0.65 119.26 118.29 3ab4 h ALA 280 Ca 0.26 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.42 3ab4 h ALA 280 Cb 0.34 0.43 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 3ab4 h ALA 280 CO -0.33 -0.43 0.37 1.57 0.00 0.00 0.00 179.25 180.43 3ab4 h LYS 281 N 0.10 0.75 -0.20 0.00 2.10 -1.19 0.43 116.57 118.55 3ab4 h LYS 281 Ca 0.44 -0.05 0.01 0.00 -2.00 0.00 0.00 60.65 59.04 3ab4 h LYS 281 Cb 0.78 -0.17 -0.01 0.00 -0.90 0.00 0.00 32.23 31.93 3ab4 h LYS 281 CO -0.69 0.50 0.11 0.28 -2.00 0.00 0.00 179.45 177.66 3ab4 h VAL 282 N 0.76 1.02 0.00 0.07 2.07 -0.84 -2.97 116.25 116.37 3ab4 h VAL 282 Ca 0.21 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.63 3ab4 h VAL 282 Cb -0.08 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 3ab4 h VAL 282 CO -0.04 0.04 -0.67 -0.26 0.02 0.00 0.00 177.57 176.66 3ab4 h PHE 283 N 0.24 0.00 0.01 1.57 0.04 -0.76 -2.61 116.94 115.43 3ab4 h PHE 283 Ca 0.08 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.85 3ab4 h PHE 283 Cb -0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 3ab4 h PHE 283 CO -0.08 0.06 -0.01 -0.09 -0.60 0.00 0.00 178.31 177.59 3ab4 h ARG 284 N 0.00 -0.02 -0.85 1.51 1.12 -0.21 0.47 114.38 116.41 3ab4 h ARG 284 Ca -0.01 0.00 0.06 0.00 -1.11 0.00 0.00 59.98 58.92 3ab4 h ARG 284 Cb 1.05 0.00 -0.05 0.00 -0.01 0.00 0.00 29.97 30.96 3ab4 h ARG 284 CO 0.01 0.20 0.55 0.00 -3.11 0.00 0.00 179.97 177.62 3ab4 h ALA 285 N 0.75 1.57 -0.02 2.80 0.00 -1.53 0.93 119.26 123.76 3ab4 h ALA 285 Ca -0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3ab4 h ALA 285 Cb 0.22 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3ab4 h ALA 285 CO 0.00 0.30 -0.19 -0.07 0.00 0.00 0.00 179.25 179.30 3ab4 h LEU 286 N 0.95 0.19 -1.25 0.00 3.38 -1.34 -3.03 115.31 114.21 3ab4 h LEU 286 Ca 0.37 -0.72 0.20 0.00 0.09 0.00 0.00 57.88 57.82 3ab4 h LEU 286 Cb 0.21 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 40.82 3ab4 h LEU 286 CO -0.13 0.88 0.61 0.00 0.09 0.00 0.00 178.44 179.89 3ab4 h ALA 287 N 0.32 1.93 -0.43 1.53 0.00 0.53 -1.74 119.26 121.40 3ab4 h ALA 287 Ca -0.02 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3ab4 h ALA 287 Cb 0.90 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3ab4 h ALA 287 CO 0.04 -0.27 0.28 -0.44 0.00 0.00 0.00 179.25 178.86 3ab4 h ASP 288 N 0.60 0.50 -0.09 0.00 3.32 0.90 -2.56 116.42 119.10 3ab4 h ASP 288 Ca 0.53 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.56 3ab4 h ASP 288 Cb 1.04 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.46 3ab4 h ASP 288 CO -0.28 0.38 0.00 0.00 -1.72 0.00 0.00 179.24 177.61 3ab4 n ALA 289 N -2.22 2.53 -1.85 3.45 0.00 -0.71 -4.91 120.51 116.80 3ab4 n ALA 289 Ca 0.01 -0.23 -0.20 0.00 0.00 0.00 0.00 53.44 53.02 3ab4 n ALA 289 Cb 0.03 -1.11 -0.06 0.00 0.00 0.00 0.00 19.45 18.31 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 -0.29 -1.47 -2.74 0.00 -0.58 -0.89 -4.95 120.64 109.72 3ab4 n GLU 290 Ca 0.09 1.13 -0.42 0.00 -0.42 0.00 0.00 57.16 57.54 3ab4 n GLU 290 Cb 0.12 -5.57 -0.03 0.00 -0.57 0.00 0.00 31.44 25.39 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 -2.83 4.86 0.43 -3.67 -4.36 -1.09 -5.01 121.20 109.53 3ab4 s ILE 291 Ca 0.00 1.99 -0.22 0.00 -0.26 0.00 0.00 60.65 62.15 3ab4 s ILE 291 Cb 0.00 -4.29 -0.09 0.00 1.25 0.00 0.00 42.46 39.33 3ab4 s ILE 291 CO 0.00 0.12 1.02 0.20 0.24 0.00 0.00 174.94 176.52 3ab4 s ASN 292 N 1.02 6.69 -0.16 4.36 -0.87 -1.26 -4.62 114.94 120.11 3ab4 s ASN 292 Ca 0.49 1.93 0.01 0.00 -1.57 0.00 0.00 52.86 53.73 3ab4 s ASN 292 Cb -0.20 -2.57 0.02 0.00 -0.02 0.00 0.00 41.25 38.48 3ab4 s ASN 292 CO 0.24 -0.54 -0.19 -0.63 -2.57 0.00 0.00 177.10 173.41 3ab4 s ILE 293 N -1.84 1.91 -0.12 0.60 1.09 -1.26 -4.31 121.20 117.27 3ab4 s ILE 293 Ca 0.61 -0.86 0.19 0.00 -1.10 0.00 0.00 60.65 59.49 3ab4 s ILE 293 Cb -0.18 -1.73 -0.26 0.00 -1.06 0.00 0.00 42.46 39.23 3ab4 s ILE 293 CO 0.22 0.52 0.36 -0.67 -0.10 0.00 0.00 174.94 175.27 3ab4 n ASP 294 N 4.45 0.14 -3.54 3.58 -0.08 -0.07 -4.97 116.55 116.06 3ab4 n ASP 294 Ca -0.20 0.06 0.00 0.00 -1.51 0.00 0.00 54.79 53.15 3ab4 n ASP 294 Cb 0.51 1.26 -0.06 0.00 2.34 0.00 0.00 41.12 45.17 3ab4 n ASP 294 CO 0.00 0.00 0.00 -0.32 0.12 0.00 0.00 177.20 177.00 3ab4 s MET 295 N -2.98 0.26 0.11 -0.67 0.00 -1.25 -4.99 119.30 109.77 3ab4 s MET 295 Ca -0.08 0.52 0.10 0.00 0.00 0.00 0.00 55.69 56.22 3ab4 s MET 295 Cb 0.10 0.16 -0.04 0.00 0.00 0.00 0.00 34.83 35.05 3ab4 s MET 295 CO 0.86 -0.07 -0.25 0.14 0.00 0.00 0.00 175.02 175.70 3ab4 s VAL 296 N 1.65 2.05 -0.03 10.11 -7.23 -1.26 -1.59 120.40 124.10 3ab4 s VAL 296 Ca -0.06 -1.62 0.00 0.00 -1.81 0.00 0.00 61.98 58.49 3ab4 s VAL 296 Cb -0.04 -1.82 0.03 0.00 0.56 0.00 0.00 36.38 35.11 3ab4 s VAL 296 CO -0.15 0.09 0.01 -0.76 -0.31 0.00 0.00 175.10 173.98 3ab4 s LEU 297 N -1.86 1.05 0.01 1.32 1.02 0.12 -5.00 118.68 115.35 3ab4 s LEU 297 Ca 0.11 -0.01 -0.00 0.00 0.02 0.00 0.00 54.13 54.25 3ab4 s LEU 297 Cb -0.10 -0.19 -0.01 0.00 0.02 0.00 0.00 46.19 45.91 3ab4 s LEU 297 CO 0.05 -0.12 -0.01 -1.58 0.02 0.00 0.00 176.35 174.71 3ab4 s GLN 298 N 1.15 0.24 0.00 1.70 0.74 -1.26 -0.23 119.66 122.00 3ab4 s GLN 298 Ca -0.08 -0.44 0.00 0.00 0.05 0.00 0.00 55.36 54.89 3ab4 s GLN 298 Cb -0.13 0.09 0.00 0.00 1.10 0.00 0.00 33.01 34.06 3ab4 s GLN 298 CO -0.02 -0.04 0.58 -1.71 -0.55 0.00 0.00 175.29 173.55 3ab4 n ASN 299 N 1.98 -0.40 -0.17 6.67 4.05 -1.26 -5.08 115.26 121.05 3ab4 n ASN 299 Ca -0.21 -1.17 -0.02 0.00 0.45 0.00 0.00 54.58 53.64 3ab4 n ASN 299 Cb 0.56 0.12 0.00 0.00 1.23 0.00 0.00 39.78 41.69 3ab4 n ASN 299 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 3ab4 n THR 307 N 0.00 0.01 -3.69 -0.44 -2.24 -1.26 -4.98 114.28 101.68 3ab4 n THR 307 Ca -0.11 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 3ab4 n THR 307 Cb 0.49 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 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 -0.06 0.00 -4.99 4.28 5.66 0.15 -4.78 114.28 114.55 3ab4 n THR 308 Ca 0.00 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.73 3ab4 n THR 308 Cb 0.02 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 68.64 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 -0.96 2.41 -0.12 1.09 1.11 -1.26 0.27 116.67 119.21 3ab4 s ASP 309 Ca 0.00 -0.38 0.03 0.00 0.18 0.00 0.00 52.55 52.37 3ab4 s ASP 309 Cb 0.00 -0.43 -0.00 0.00 1.07 0.00 0.00 42.92 43.56 3ab4 s ASP 309 CO 0.00 0.22 -0.21 -0.63 1.18 0.00 0.00 175.17 175.74 3ab4 s ILE 310 N -0.30 2.30 -0.03 0.77 1.01 -0.45 -4.03 121.20 120.47 3ab4 s ILE 310 Ca 0.03 -0.92 0.07 0.00 0.00 0.00 0.00 60.65 59.83 3ab4 s ILE 310 Cb -0.10 -1.91 -0.02 0.00 0.01 0.00 0.00 42.46 40.44 3ab4 s ILE 310 CO 0.01 0.55 -0.25 0.28 0.00 0.00 0.00 174.94 175.52 3ab4 s THR 311 N 0.50 1.99 0.18 2.92 -1.32 0.69 0.04 115.64 120.64 3ab4 s THR 311 Ca -0.13 -1.06 -0.00 0.00 -1.21 0.00 0.00 61.69 59.28 3ab4 s THR 311 Cb -0.17 -1.66 -0.04 0.00 -1.51 0.00 0.00 72.50 69.12 3ab4 s THR 311 CO 0.05 0.56 0.09 0.72 -2.21 0.00 0.00 174.62 173.83 3ab4 s PHE 312 N -0.45 1.11 -0.05 9.09 -0.12 0.11 0.12 117.98 127.80 3ab4 s PHE 312 Ca 0.06 -1.26 0.04 0.00 -0.05 0.00 0.00 56.93 55.71 3ab4 s PHE 312 Cb -0.11 -0.59 -0.00 0.00 -0.63 0.00 0.00 43.02 41.69 3ab4 s PHE 312 CO 0.00 -0.51 -0.17 -0.08 -0.05 0.00 0.00 175.22 174.41 3ab4 s THR 313 N -4.01 1.44 0.06 -4.49 -1.32 -0.62 0.67 115.64 107.37 3ab4 s THR 313 Ca 0.32 -0.72 -0.08 0.00 -1.21 0.00 0.00 61.69 60.00 3ab4 s THR 313 Cb 0.07 -1.25 -0.00 0.00 -1.51 0.00 0.00 72.50 69.81 3ab4 s THR 313 CO 0.08 0.42 0.17 0.00 -2.21 0.00 0.00 174.62 173.08 3ab4 n PRO 315 N 0.37 1.01 -0.25 0.00 -0.02 -1.26 -0.15 135.00 134.70 3ab4 n PRO 315 Ca -0.17 0.36 0.15 0.00 -2.02 0.00 0.00 63.50 61.82 3ab4 n PRO 315 Cb 0.60 -1.70 0.44 0.00 -0.02 0.00 0.00 33.50 32.82 3ab4 n PRO 315 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3ab4 h ARG 316 N 2.24 0.55 0.00 -0.52 9.65 -1.37 0.06 114.38 124.99 3ab4 h ARG 316 Ca -0.39 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.46 3ab4 h ARG 316 Cb 1.36 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.82 3ab4 h ARG 316 CO 0.63 0.36 0.00 0.66 2.80 0.00 0.00 179.97 184.42 3ab4 h SER 317 N 0.56 0.00 0.58 -3.80 4.64 -1.87 -2.82 113.55 110.84 3ab4 h SER 317 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 3ab4 h SER 317 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 3ab4 h SER 317 CO -0.20 0.00 -0.94 0.47 -0.87 0.00 0.00 176.83 175.29 3ab4 n ASP 318 N -2.95 0.64 -0.20 4.97 8.00 -0.01 -4.53 116.55 122.47 3ab4 n ASP 318 Ca 0.01 -0.07 -0.01 0.00 0.71 0.00 0.00 54.79 55.42 3ab4 n ASP 318 Cb 0.29 0.63 0.05 0.00 -0.02 0.00 0.00 41.12 42.07 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 4.48 0.39 0.99 0.44 0.00 -1.29 -0.69 103.07 107.38 3ab4 h GLY 319 Ca 0.00 0.22 -0.04 0.00 0.00 0.00 0.00 47.33 47.51 3ab4 h GLY 319 CO 0.00 -0.23 0.20 3.21 0.00 0.00 0.00 176.54 179.72 3ab4 h ARG 320 N -0.02 0.86 -0.46 4.80 3.08 -1.79 -0.97 114.38 119.88 3ab4 h ARG 320 Ca 0.29 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 3ab4 h ARG 320 Cb 0.46 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 3ab4 h ARG 320 CO -0.63 0.77 0.28 0.00 -1.07 0.00 0.00 179.97 179.32 3ab4 h ARG 321 N 0.78 0.62 -0.95 0.04 3.08 -1.66 -1.24 114.38 115.06 3ab4 h ARG 321 Ca 0.18 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 3ab4 h ARG 321 Cb 0.25 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.12 3ab4 h ARG 321 CO -0.01 0.45 0.59 0.00 -1.07 0.00 0.00 179.97 179.93 3ab4 h ALA 322 N 1.14 1.21 0.03 0.04 0.00 -0.60 -1.55 119.26 119.52 3ab4 h ALA 322 Ca 0.16 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3ab4 h ALA 322 Cb -0.02 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.39 3ab4 h ALA 322 CO -0.03 0.65 -0.01 0.52 0.00 0.00 0.00 179.25 180.37 3ab4 h MET 323 N 1.30 -0.04 -0.89 0.00 2.07 -1.07 -2.25 114.93 114.06 3ab4 h MET 323 Ca 0.34 0.00 0.24 0.00 -2.07 0.00 0.00 59.70 58.21 3ab4 h MET 323 Cb -0.08 0.01 -0.14 0.00 -1.87 0.00 0.00 31.60 29.52 3ab4 h MET 323 CO -0.07 0.24 0.32 0.93 1.07 0.00 0.00 176.91 179.40 3ab4 h GLU 324 N -0.31 0.27 0.11 1.72 5.08 -0.72 -0.42 114.58 120.31 3ab4 h GLU 324 Ca -0.00 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3ab4 h GLU 324 Cb 0.29 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3ab4 h GLU 324 CO 0.01 0.18 -0.05 0.82 -1.00 0.00 0.00 179.01 178.96 3ab4 h ILE 325 N 0.28 1.09 -0.12 3.13 1.08 -1.18 -3.05 117.51 118.73 3ab4 h ILE 325 Ca 0.57 -1.09 -0.08 0.00 -0.39 0.00 0.00 64.86 63.87 3ab4 h ILE 325 Cb 1.15 1.75 0.00 0.00 -3.07 0.00 0.00 36.82 36.66 3ab4 h ILE 325 CO -0.61 0.25 -0.24 -0.07 -0.69 0.00 0.00 178.15 176.79 3ab4 h LEU 326 N -0.69 0.42 -2.11 1.44 4.07 -1.02 -2.14 115.31 115.28 3ab4 h LEU 326 Ca -0.02 -0.56 -0.01 0.00 0.08 0.00 0.00 57.88 57.38 3ab4 h LEU 326 Cb 0.53 -0.12 -0.00 0.00 1.08 0.00 0.00 40.66 42.14 3ab4 h LEU 326 CO 0.03 0.90 -0.03 0.50 -1.08 0.00 0.00 178.44 178.76 3ab4 h LYS 327 N -0.04 0.00 0.00 1.13 1.63 -1.24 -0.37 116.57 117.68 3ab4 h LYS 327 Ca 0.00 0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.67 3ab4 h LYS 327 Cb 0.83 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.44 3ab4 h LYS 327 CO 0.05 0.03 -0.65 -0.22 -3.45 0.00 0.00 179.45 175.21 3ab4 h LYS 328 N 0.00 0.00 0.00 1.90 3.64 -1.38 -2.93 116.57 117.80 3ab4 h LYS 328 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3ab4 h LYS 328 Cb 0.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3ab4 h LYS 328 CO 0.00 0.65 0.00 -0.07 -2.27 0.00 0.00 179.45 177.76 3ab4 h LEU 329 N 0.00 0.00 -8.06 5.20 -0.00 -0.44 -3.46 115.31 108.55 3ab4 h LEU 329 Ca -0.01 0.00 -0.42 0.00 -0.00 0.00 0.00 57.88 57.45 3ab4 h LEU 329 Cb 1.30 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.90 3ab4 h LEU 329 CO 0.08 0.00 1.23 -1.58 -0.00 0.00 0.00 178.44 178.18 3ab4 s GLN 330 N -3.32 2.95 -0.84 1.13 0.74 -0.66 -3.95 119.66 115.71 3ab4 s GLN 330 Ca 0.06 -1.04 -0.20 0.00 0.05 0.00 0.00 55.36 54.23 3ab4 s GLN 330 Cb 0.08 -5.26 0.10 0.00 1.10 0.00 0.00 33.01 29.04 3ab4 s GLN 330 CO 0.58 -3.22 1.09 0.20 -0.55 0.00 0.00 175.29 173.40 3ab4 s GLY 333 N 6.33 1.68 0.00 2.59 0.00 -1.26 -4.80 107.32 111.86 3ab4 s GLY 333 Ca 0.63 -2.40 0.00 0.00 0.00 0.00 0.00 44.72 42.95 3ab4 s GLY 333 CO 0.04 2.08 0.00 0.70 0.00 0.00 0.00 173.10 175.93 3ab4 n ASN 334 N 7.15 0.00 -4.15 1.64 3.02 -1.25 -5.16 115.26 116.51 3ab4 n ASN 334 Ca 0.15 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.59 3ab4 n ASN 334 Cb 0.48 0.17 -0.09 0.00 -0.61 0.00 0.00 39.78 39.73 3ab4 n ASN 334 CO 0.00 0.00 0.00 -1.66 -2.62 0.00 0.00 177.26 172.98 3ab4 s TRP 335 N -1.49 0.94 -0.20 3.10 -2.14 -1.26 -4.43 118.94 113.45 3ab4 s TRP 335 Ca 0.00 -1.23 0.19 0.00 2.66 0.00 0.00 56.10 57.72 3ab4 s TRP 335 Cb 0.00 -0.42 0.01 0.00 -3.10 0.00 0.00 33.47 29.96 3ab4 s TRP 335 CO 0.00 -0.65 1.12 1.79 -2.66 0.00 0.00 176.95 176.55 3ab4 h THR 336 N 2.64 0.36 -1.55 0.66 1.35 -1.47 -3.44 112.91 111.45 3ab4 h THR 336 Ca -0.34 -1.61 0.22 0.00 -0.55 0.00 0.00 66.41 64.13 3ab4 h THR 336 Cb 1.24 1.95 -0.19 0.00 -1.73 0.00 0.00 68.15 69.41 3ab4 h THR 336 CO 0.52 0.20 0.76 0.21 -0.25 0.00 0.00 175.52 176.97 3ab4 s ASN 337 N -5.85 -0.18 -0.01 5.36 2.47 -1.24 -5.02 114.94 110.47 3ab4 s ASN 337 Ca 0.01 0.04 0.02 0.00 0.42 0.00 0.00 52.86 53.34 3ab4 s ASN 337 Cb 0.08 0.18 -0.00 0.00 -1.45 0.00 0.00 41.25 40.06 3ab4 s ASN 337 CO 0.77 -0.27 -0.06 0.54 -3.72 0.00 0.00 177.10 174.36 3ab4 s VAL 338 N -2.27 0.54 0.16 -5.21 0.11 -1.26 -1.17 120.40 111.30 3ab4 s VAL 338 Ca 0.08 -0.26 0.09 0.00 -2.93 0.00 0.00 61.98 58.95 3ab4 s VAL 338 Cb -0.01 -0.47 -0.04 0.00 -1.53 0.00 0.00 36.38 34.33 3ab4 s VAL 338 CO -0.05 0.16 -0.13 -0.76 -3.33 0.00 0.00 175.10 171.00 3ab4 s LEU 339 N 0.00 2.87 -0.05 2.54 1.43 0.88 -4.95 118.68 121.40 3ab4 s LEU 339 Ca 0.00 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 52.52 3ab4 s LEU 339 Cb -0.04 -1.60 0.02 0.00 0.03 0.00 0.00 46.19 44.60 3ab4 s LEU 339 CO -0.00 0.13 -0.03 -0.47 0.23 0.00 0.00 176.35 176.21 3ab4 s TYR 340 N -1.55 0.69 -0.31 0.29 5.04 -1.26 -1.91 117.35 118.34 3ab4 s TYR 340 Ca 0.23 -0.18 -0.02 0.00 -2.44 0.00 0.00 57.07 54.65 3ab4 s TYR 340 Cb -0.09 -0.68 0.11 0.00 0.35 0.00 0.00 41.96 41.65 3ab4 s TYR 340 CO 0.13 -0.23 0.16 0.34 -1.34 0.00 0.00 175.55 174.61 3ab4 s ASP 341 N 1.22 3.40 -0.20 4.32 3.68 -0.31 -5.00 116.67 123.77 3ab4 s ASP 341 Ca -0.06 -1.62 0.06 0.00 2.13 0.00 0.00 52.55 53.06 3ab4 s ASP 341 Cb -0.14 -0.41 0.47 0.00 -1.45 0.00 0.00 42.92 41.39 3ab4 s ASP 341 CO -0.02 -0.39 1.40 -0.90 0.13 0.00 0.00 175.17 175.39 3ab4 n ASP 342 N 4.82 3.73 -0.50 -0.34 5.75 -1.26 -0.56 116.55 128.18 3ab4 n ASP 342 Ca 0.00 -2.76 0.06 0.00 -0.01 0.00 0.00 54.79 52.09 3ab4 n ASP 342 Cb 0.40 -0.66 0.13 0.00 -1.03 0.00 0.00 41.12 39.97 3ab4 n ASP 342 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ab4 n GLN 343 N -0.01 1.06 -3.06 0.11 6.02 -1.26 -4.87 117.38 115.37 3ab4 n GLN 343 Ca 0.26 -2.56 -0.36 0.00 -0.01 0.00 0.00 57.00 54.33 3ab4 n GLN 343 Cb 1.01 -1.22 -0.06 0.00 1.02 0.00 0.00 30.24 30.98 3ab4 n GLN 343 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3ab4 s VAL 344 N -2.27 4.53 0.01 5.09 -7.23 -1.26 -1.15 120.40 118.12 3ab4 s VAL 344 Ca 0.30 1.33 0.06 0.00 -1.81 0.00 0.00 61.98 61.86 3ab4 s VAL 344 Cb 0.29 -3.85 -0.03 0.00 0.56 0.00 0.00 36.38 33.35 3ab4 s VAL 344 CO -0.03 0.15 -0.17 -0.83 -0.31 0.00 0.00 175.10 173.90 3ab4 s GLY 345 N -1.72 1.54 -0.27 2.32 0.00 0.11 -4.55 107.32 104.76 3ab4 s GLY 345 Ca 0.45 -1.12 -0.03 0.00 0.00 0.00 0.00 44.72 44.02 3ab4 s GLY 345 CO 0.21 -0.98 -0.01 1.25 0.00 0.00 0.00 173.10 173.57 3ab4 s LYS 346 N -1.19 2.90 -0.10 2.90 2.20 -0.53 -1.01 119.74 124.91 3ab4 s LYS 346 Ca 0.14 -0.95 0.02 0.00 -0.36 0.00 0.00 55.97 54.82 3ab4 s LYS 346 Cb -0.10 -3.12 -0.01 0.00 -1.51 0.00 0.00 37.83 33.08 3ab4 s LYS 346 CO 0.04 -0.43 -0.17 0.54 -0.36 0.00 0.00 175.35 174.97 3ab4 s VAL 347 N 1.38 2.70 0.03 4.02 0.11 -0.28 -1.54 120.40 126.81 3ab4 s VAL 347 Ca 0.01 -0.81 0.01 0.00 -2.93 0.00 0.00 61.98 58.26 3ab4 s VAL 347 Cb -0.17 -2.08 -0.02 0.00 -1.53 0.00 0.00 36.38 32.58 3ab4 s VAL 347 CO -0.02 0.55 -0.05 -0.44 -3.33 0.00 0.00 175.10 171.81 3ab4 s SER 348 N 0.05 0.52 -0.08 3.54 0.01 -1.02 -0.97 113.70 115.75 3ab4 s SER 348 Ca -0.07 -0.49 0.03 0.00 1.31 0.00 0.00 55.95 56.74 3ab4 s SER 348 Cb -0.15 0.06 -0.01 0.00 0.21 0.00 0.00 66.02 66.13 3ab4 s SER 348 CO 0.05 -0.23 -0.19 -0.22 0.41 0.00 0.00 173.24 173.06 3ab4 s LEU 349 N -1.40 2.41 -0.03 2.44 2.96 0.26 -1.51 118.68 123.80 3ab4 s LEU 349 Ca -0.12 -0.39 0.04 0.00 -0.22 0.00 0.00 54.13 53.44 3ab4 s LEU 349 Cb -0.09 -1.49 -0.00 0.00 0.50 0.00 0.00 46.19 45.11 3ab4 s LEU 349 CO -0.00 0.24 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.42 3ab4 s VAL 350 N -0.09 1.27 -0.30 1.68 1.01 -0.48 -1.55 120.40 121.95 3ab4 s VAL 350 Ca -0.04 -0.64 -0.19 0.00 0.00 0.00 0.00 61.98 61.12 3ab4 s VAL 350 Cb -0.14 -1.09 0.20 0.00 0.00 0.00 0.00 36.38 35.35 3ab4 s VAL 350 CO 0.04 0.37 1.30 -0.83 0.00 0.00 0.00 175.10 175.98 3ab4 s GLY 351 N -0.00 0.52 0.39 4.51 0.00 -0.65 -0.48 107.32 111.61 3ab4 s GLY 351 Ca -0.02 3.71 0.12 0.00 0.00 0.00 0.00 44.72 48.53 3ab4 s GLY 351 CO 0.01 2.52 1.89 0.00 0.00 0.00 0.00 173.10 177.52 3ab4 h ALA 352 N 4.60 1.49 -0.50 3.20 0.00 -1.72 -2.81 119.26 123.53 3ab4 h ALA 352 Ca -0.27 -0.26 0.14 0.00 0.00 0.00 0.00 54.91 54.53 3ab4 h ALA 352 Cb 1.17 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 3ab4 h ALA 352 CO 0.22 0.37 0.45 0.78 0.00 0.00 0.00 179.25 181.07 3ab4 h GLY 353 N 0.86 0.00 1.98 0.00 0.00 -0.85 -2.82 103.07 102.24 3ab4 h GLY 353 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 3ab4 h GLY 353 CO 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 176.54 176.48 3ab4 h MET 354 N 0.00 0.00 -0.99 4.80 3.00 -1.73 -3.30 114.93 116.71 3ab4 h MET 354 Ca 0.24 0.00 0.06 0.00 0.00 0.00 0.00 59.70 60.00 3ab4 h MET 354 Cb 1.13 0.00 -0.06 0.00 0.00 0.00 0.00 31.60 32.67 3ab4 h MET 354 CO -0.00 0.07 0.64 -0.22 0.00 0.00 0.00 176.91 177.40 3ab4 h LYS 355 N 0.00 1.14 0.06 -0.10 3.64 -1.63 -3.28 116.57 116.40 3ab4 h LYS 355 Ca -0.00 -0.07 -0.37 0.00 -1.27 0.00 0.00 60.65 58.94 3ab4 h LYS 355 Cb 1.06 -0.26 -0.04 0.00 -0.41 0.00 0.00 32.23 32.58 3ab4 h LYS 355 CO 0.01 0.75 -2.19 -1.13 -2.27 0.00 0.00 179.45 174.63 3ab4 n SER 356 N -4.49 2.04 -4.75 4.20 3.41 -1.25 -4.95 113.62 107.83 3ab4 n SER 356 Ca 0.15 0.09 -0.40 0.00 -0.26 0.00 0.00 58.87 58.45 3ab4 n SER 356 Cb 0.17 -0.68 -0.05 0.00 -0.26 0.00 0.00 64.21 63.39 3ab4 n SER 356 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3ab4 s HIS 357 N -2.53 3.76 0.49 7.33 3.76 -1.24 -5.08 115.29 121.80 3ab4 s HIS 357 Ca -0.29 1.53 -0.11 0.00 -0.15 0.00 0.00 55.06 56.03 3ab4 s HIS 357 Cb 0.08 -2.84 -0.06 0.00 1.11 0.00 0.00 32.58 30.87 3ab4 s HIS 357 CO 0.67 0.29 0.89 -1.25 -0.85 0.00 0.00 174.74 174.49 3ab4 s PRO 358 N -0.16 3.75 0.00 8.40 0.05 -1.26 -4.52 135.00 141.25 3ab4 s PRO 358 Ca 0.39 0.62 0.00 0.00 0.05 0.00 0.00 61.00 62.06 3ab4 s PRO 358 Cb -0.21 -2.25 0.00 0.00 0.05 0.00 0.00 34.50 32.09 3ab4 s PRO 358 CO 0.24 -0.24 0.00 0.41 0.05 0.00 0.00 177.00 177.46 3ab4 n GLY 359 N -1.85 2.60 0.29 0.56 0.00 -1.26 -4.96 105.19 100.58 3ab4 n GLY 359 Ca 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 3ab4 n GLY 359 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3ab4 h VAL 360 N 0.00 1.24 -0.74 1.61 3.04 -1.93 -0.14 116.25 119.33 3ab4 h VAL 360 Ca 0.00 -0.76 -0.01 0.00 -1.01 0.00 0.00 66.70 64.92 3ab4 h VAL 360 Cb 0.00 0.51 -0.04 0.00 -2.01 0.00 0.00 31.29 29.75 3ab4 h VAL 360 CO 0.00 0.30 0.44 0.74 -1.01 0.00 0.00 177.57 178.04 3ab4 h THR 361 N 0.93 1.21 -0.65 3.17 2.02 -1.92 0.22 112.91 117.89 3ab4 h THR 361 Ca 0.22 -0.49 -0.09 0.00 0.77 0.00 0.00 66.41 66.82 3ab4 h THR 361 Cb 0.22 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 3ab4 h THR 361 CO -0.02 0.23 0.06 0.00 0.37 0.00 0.00 175.52 176.16 3ab4 h ALA 362 N 1.23 0.86 -0.06 6.16 0.00 -1.92 -1.60 119.26 123.94 3ab4 h ALA 362 Ca 0.26 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 3ab4 h ALA 362 Cb -0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3ab4 h ALA 362 CO -0.05 0.67 -0.53 1.49 0.00 0.00 0.00 179.25 180.83 3ab4 h GLU 363 N 1.02 0.17 0.18 0.00 4.81 -0.18 -1.31 114.58 119.27 3ab4 h GLU 363 Ca 0.19 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 3ab4 h GLU 363 Cb 0.50 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.89 3ab4 h GLU 363 CO 0.02 0.66 -0.09 0.35 -0.73 0.00 0.00 179.01 179.22 3ab4 h PHE 364 N 0.13 -0.23 -0.94 0.92 3.57 -0.42 -2.02 116.94 117.95 3ab4 h PHE 364 Ca 0.00 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.61 3ab4 h PHE 364 Cb 0.99 0.07 -0.07 0.00 2.79 0.00 0.00 35.95 39.73 3ab4 h PHE 364 CO 0.01 0.04 0.60 0.52 -2.23 0.00 0.00 178.31 177.26 3ab4 h MET 365 N -0.48 0.89 0.01 1.11 2.86 -1.08 -2.85 114.93 115.40 3ab4 h MET 365 Ca -0.02 -0.05 -0.25 0.00 -2.06 0.00 0.00 59.70 57.31 3ab4 h MET 365 Cb 0.37 -0.20 0.01 0.00 0.06 0.00 0.00 31.60 31.84 3ab4 h MET 365 CO 0.04 0.59 -1.01 0.93 1.06 0.00 0.00 176.91 178.52 3ab4 h GLU 366 N 0.92 0.54 -0.61 1.72 5.08 -1.24 -2.03 114.58 118.95 3ab4 h GLU 366 Ca 0.45 -0.60 0.12 0.00 -1.00 0.00 0.00 59.36 58.33 3ab4 h GLU 366 Cb 0.47 0.17 -0.09 0.00 0.50 0.00 0.00 28.75 29.80 3ab4 h GLU 366 CO -0.21 1.22 0.11 0.00 -1.00 0.00 0.00 179.01 179.12 3ab4 h ALA 367 N 0.57 0.71 0.03 3.43 0.00 -1.14 -1.05 119.26 121.82 3ab4 h ALA 367 Ca -0.11 0.15 -0.22 0.00 0.00 0.00 0.00 54.91 54.73 3ab4 h ALA 367 Cb 1.66 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 3ab4 h ALA 367 CO 0.19 -0.33 -0.98 -0.07 0.00 0.00 0.00 179.25 178.05 3ab4 h LEU 368 N 0.23 0.26 -0.95 0.00 4.07 -1.52 -3.10 115.31 114.30 3ab4 h LEU 368 Ca 0.32 -0.24 0.05 0.00 0.08 0.00 0.00 57.88 58.09 3ab4 h LEU 368 Cb 0.50 -0.08 -0.06 0.00 1.08 0.00 0.00 40.66 42.10 3ab4 h LEU 368 CO -0.44 1.10 0.61 -0.09 -1.08 0.00 0.00 178.44 178.54 3ab4 h ARG 369 N 0.09 1.11 0.00 1.13 2.43 -0.80 -2.93 114.38 115.41 3ab4 h ARG 369 Ca -0.06 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 3ab4 h ARG 369 Cb 1.66 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.96 3ab4 h ARG 369 CO 0.15 0.73 0.00 -0.44 -1.51 0.00 0.00 179.97 178.90 3ab4 h ASP 370 N 1.14 0.00 -1.85 -3.80 3.32 -1.13 -3.36 116.42 110.73 3ab4 h ASP 370 Ca 0.39 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.99 3ab4 h ASP 370 Cb 0.09 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 3ab4 h ASP 370 CO -0.15 0.00 -0.37 -0.69 -1.72 0.00 0.00 179.24 176.31 3ab4 s VAL 371 N -3.30 4.13 -0.94 -1.35 1.01 -1.18 -5.03 120.40 113.73 3ab4 s VAL 371 Ca 0.06 -1.06 -0.02 0.00 0.00 0.00 0.00 61.98 60.96 3ab4 s VAL 371 Cb 0.08 -3.43 0.27 0.00 0.00 0.00 0.00 36.38 33.31 3ab4 s VAL 371 CO 0.59 -0.18 2.08 -3.20 0.00 0.00 0.00 175.10 174.39 3ab4 n ASN 372 N -1.57 7.42 -4.59 3.32 5.15 -1.26 -4.76 115.26 118.97 3ab4 n ASN 372 Ca -0.01 -3.61 -0.36 0.00 -0.60 0.00 0.00 54.58 50.00 3ab4 n ASN 372 Cb 0.58 -1.17 -0.10 0.00 -0.53 0.00 0.00 39.78 38.56 3ab4 n ASN 372 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3ab4 s VAL 373 N -3.90 4.86 -0.03 3.44 -7.23 -1.11 -5.08 120.40 111.35 3ab4 s VAL 373 Ca 0.48 0.00 -0.22 0.00 -1.81 0.00 0.00 61.98 60.43 3ab4 s VAL 373 Cb 0.29 -3.24 -0.05 0.00 0.56 0.00 0.00 36.38 33.95 3ab4 s VAL 373 CO -0.23 0.38 0.64 0.21 -0.31 0.00 0.00 175.10 175.79 3ab4 s ASN 374 N 0.96 6.97 0.01 4.85 2.47 -1.26 -4.36 114.94 124.59 3ab4 s ASN 374 Ca 0.05 1.16 -0.24 0.00 0.42 0.00 0.00 52.86 54.25 3ab4 s ASN 374 Cb -0.14 -2.38 -0.05 0.00 -1.45 0.00 0.00 41.25 37.23 3ab4 s ASN 374 CO 0.03 -0.00 0.74 -0.63 -3.72 0.00 0.00 177.10 173.52 3ab4 s ILE 375 N 0.29 4.82 -0.16 -5.21 1.01 -1.26 -4.78 121.20 115.91 3ab4 s ILE 375 Ca 0.34 1.57 0.02 0.00 0.00 0.00 0.00 60.65 62.58 3ab4 s ILE 375 Cb -0.18 -4.09 -0.11 0.00 0.01 0.00 0.00 42.46 38.09 3ab4 s ILE 375 CO 0.17 0.34 -0.13 -0.62 0.00 0.00 0.00 174.94 174.70 3ab4 n GLU 376 N 3.05 0.53 -3.91 2.79 1.02 -0.77 -5.00 120.64 118.34 3ab4 n GLU 376 Ca -0.02 0.09 -0.10 0.00 -0.02 0.00 0.00 57.16 57.10 3ab4 n GLU 376 Cb 0.51 -1.33 -0.11 0.00 -0.02 0.00 0.00 31.44 30.48 3ab4 n GLU 376 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3ab4 s LEU 377 N -5.89 1.92 0.00 -4.62 1.02 -1.21 -4.97 118.68 104.93 3ab4 s LEU 377 Ca -0.21 -0.24 0.06 0.00 0.02 0.00 0.00 54.13 53.76 3ab4 s LEU 377 Cb 0.06 0.29 -0.03 0.00 0.02 0.00 0.00 46.19 46.53 3ab4 s LEU 377 CO 0.39 -0.24 -0.19 -0.63 0.02 0.00 0.00 176.35 175.70 3ab4 s ILE 378 N -1.01 2.68 0.03 -0.59 1.01 -1.26 -1.75 121.20 120.30 3ab4 s ILE 378 Ca -0.11 -1.04 -0.02 0.00 0.00 0.00 0.00 60.65 59.48 3ab4 s ILE 378 Cb -0.07 -2.06 -0.02 0.00 0.01 0.00 0.00 42.46 40.32 3ab4 s ILE 378 CO 0.00 0.47 0.01 -0.55 0.00 0.00 0.00 174.94 174.86 3ab4 s SER 379 N -1.04 0.25 -0.07 3.58 0.15 -0.36 -5.00 113.70 111.20 3ab4 s SER 379 Ca 0.13 -0.55 -0.09 0.00 0.70 0.00 0.00 55.95 56.13 3ab4 s SER 379 Cb -0.10 0.14 0.02 0.00 -1.71 0.00 0.00 66.02 64.37 3ab4 s SER 379 CO 0.02 -0.38 0.25 -0.89 1.20 0.00 0.00 173.24 173.44 3ab4 s THR 380 N -1.99 0.02 0.27 6.45 2.01 -1.26 -1.14 115.64 120.01 3ab4 s THR 380 Ca -0.11 -0.16 0.05 0.00 0.31 0.00 0.00 61.69 61.78 3ab4 s THR 380 Cb -0.06 -0.41 -0.06 0.00 0.01 0.00 0.00 72.50 71.99 3ab4 s THR 380 CO -0.03 -0.09 -0.01 -0.94 -0.69 0.00 0.00 174.62 172.86 3ab4 s SER 381 N -0.28 2.37 0.54 3.53 1.04 -0.71 -4.99 113.70 115.20 3ab4 s SER 381 Ca -0.04 -1.24 0.35 0.00 0.48 0.00 0.00 55.95 55.50 3ab4 s SER 381 Cb -0.03 -0.09 1.52 0.00 0.10 0.00 0.00 66.02 67.51 3ab4 s SER 381 CO 0.01 -0.46 1.83 -0.08 0.98 0.00 0.00 173.24 175.52 3ab4 h GLU 382 N 2.30 0.02 0.00 4.02 4.81 -2.00 -1.83 114.58 121.89 3ab4 h GLU 382 Ca -0.40 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 58.77 3ab4 h GLU 382 Cb 1.23 -0.00 -0.13 0.00 0.63 0.00 0.00 28.75 30.48 3ab4 h GLU 382 CO 0.67 0.01 -0.65 0.44 -0.73 0.00 0.00 179.01 178.75 3ab4 n ILE 383 N -4.22 1.36 -3.72 2.32 -5.35 -1.26 -3.99 119.36 104.50 3ab4 n ILE 383 Ca 0.24 -2.31 -0.13 0.00 -0.27 0.00 0.00 62.75 60.28 3ab4 n ILE 383 Cb 1.16 0.21 -0.10 0.00 -1.74 0.00 0.00 39.64 39.17 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 -2.00 0.54 -0.18 6.28 3.52 -0.69 -1.64 118.95 124.78 3ab4 s ARG 384 Ca 0.35 0.54 -0.00 0.00 -0.13 0.00 0.00 55.73 56.49 3ab4 s ARG 384 Cb 0.36 0.26 0.00 0.00 -1.56 0.00 0.00 34.95 34.01 3ab4 s ARG 384 CO -0.09 -0.08 -0.14 0.42 -0.81 0.00 0.00 175.30 174.59 3ab4 s ILE 385 N 0.08 2.60 0.09 4.11 1.01 -0.59 -1.74 121.20 126.75 3ab4 s ILE 385 Ca -0.01 -0.77 0.10 0.00 0.00 0.00 0.00 60.65 59.96 3ab4 s ILE 385 Cb -0.03 -2.12 -0.03 0.00 0.01 0.00 0.00 42.46 40.28 3ab4 s ILE 385 CO 0.01 0.50 -0.25 -0.44 0.00 0.00 0.00 174.94 174.76 3ab4 s SER 386 N 1.14 3.04 -0.03 3.58 0.01 -0.29 -0.57 113.70 120.58 3ab4 s SER 386 Ca 0.01 -0.66 -0.01 0.00 1.31 0.00 0.00 55.95 56.60 3ab4 s SER 386 Cb -0.14 -0.23 0.02 0.00 0.21 0.00 0.00 66.02 65.88 3ab4 s SER 386 CO -0.05 0.18 0.06 -0.69 0.41 0.00 0.00 173.24 173.15 3ab4 s VAL 387 N -0.96 -0.03 -0.06 3.43 1.01 -0.14 -1.22 120.40 122.43 3ab4 s VAL 387 Ca 0.11 0.12 -0.14 0.00 0.00 0.00 0.00 61.98 62.07 3ab4 s VAL 387 Cb -0.10 -0.11 -0.05 0.00 0.00 0.00 0.00 36.38 36.12 3ab4 s VAL 387 CO 0.04 0.05 0.37 -0.76 0.00 0.00 0.00 175.10 174.80 3ab4 s LEU 388 N 0.66 4.40 0.00 3.92 1.43 -0.72 -1.12 118.68 127.25 3ab4 s LEU 388 Ca -0.05 0.82 -0.01 0.00 -1.03 0.00 0.00 54.13 53.85 3ab4 s LEU 388 Cb -0.07 -2.52 0.01 0.00 0.03 0.00 0.00 46.19 43.64 3ab4 s LEU 388 CO -0.02 0.25 0.39 2.30 0.23 0.00 0.00 176.35 179.49 3ab4 n ILE 389 N 2.41 0.00 -1.89 -0.59 -5.35 -0.18 -1.84 119.36 111.92 3ab4 n ILE 389 Ca -0.13 -1.44 -0.41 0.00 -0.27 0.00 0.00 62.75 60.50 3ab4 n ILE 389 Cb 0.52 0.88 -0.01 0.00 -1.74 0.00 0.00 39.64 39.29 3ab4 n ILE 389 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 3ab4 s ARG 390 N -2.65 4.19 0.27 6.28 3.00 -1.26 0.08 118.95 128.86 3ab4 s ARG 390 Ca 0.23 2.46 0.01 0.00 0.00 0.00 0.00 55.73 58.43 3ab4 s ARG 390 Cb -0.01 -3.03 0.59 0.00 0.00 0.00 0.00 34.95 32.50 3ab4 s ARG 390 CO 0.17 -0.48 1.77 1.49 0.00 0.00 0.00 175.30 178.24 3ab4 h GLU 391 N 4.04 0.66 0.00 3.54 4.81 -1.37 -2.21 114.58 124.05 3ab4 h GLU 391 Ca -0.48 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 58.70 3ab4 h GLU 391 Cb 1.23 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.46 3ab4 h GLU 391 CO 0.72 0.44 -0.02 -0.44 -0.73 0.00 0.00 179.01 178.97 3ab4 h ASP 392 N 0.68 0.00 -0.28 1.04 3.32 -1.91 -2.56 116.42 116.71 3ab4 h ASP 392 Ca 0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.55 3ab4 h ASP 392 Cb 0.71 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.26 3ab4 h ASP 392 CO -0.37 0.02 0.00 0.47 -1.72 0.00 0.00 179.24 177.64 3ab4 n ASP 393 N -3.60 2.61 -0.07 6.45 8.00 -0.83 -4.62 116.55 124.50 3ab4 n ASP 393 Ca -0.03 -1.87 -0.12 0.00 0.71 0.00 0.00 54.79 53.48 3ab4 n ASP 393 Cb 0.11 -0.18 -0.06 0.00 -0.02 0.00 0.00 41.12 40.98 3ab4 n ASP 393 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3ab4 h LEU 394 N 3.43 0.39 -0.33 0.64 5.85 -1.50 0.41 115.31 124.20 3ab4 h LEU 394 Ca 0.00 -0.37 0.04 0.00 0.84 0.00 0.00 57.88 58.39 3ab4 h LEU 394 Cb 0.75 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 3ab4 h LEU 394 CO 0.00 0.67 0.10 0.44 -0.34 0.00 0.00 178.44 179.31 3ab4 h ASP 395 N 0.10 0.09 0.50 1.25 5.19 -1.82 -0.74 116.42 120.99 3ab4 h ASP 395 Ca 0.05 0.04 -0.12 0.00 -0.62 0.00 0.00 57.03 56.39 3ab4 h ASP 395 Cb 0.51 0.04 -0.02 0.00 0.18 0.00 0.00 39.33 40.04 3ab4 h ASP 395 CO 0.02 0.09 -0.54 0.00 -3.12 0.00 0.00 179.24 175.69 3ab4 h ALA 396 N 1.22 1.09 -0.22 3.45 0.00 -1.77 -2.06 119.26 120.97 3ab4 h ALA 396 Ca 0.15 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 3ab4 h ALA 396 Cb 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3ab4 h ALA 396 CO -0.17 0.67 0.05 0.00 0.00 0.00 0.00 179.25 179.81 3ab4 h ALA 397 N 1.43 0.29 -0.17 0.00 0.00 -0.70 -2.45 119.26 117.65 3ab4 h ALA 397 Ca -0.00 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.77 3ab4 h ALA 397 Cb 0.96 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3ab4 h ALA 397 CO 0.07 -0.07 0.05 0.00 0.00 0.00 0.00 179.25 179.31 3ab4 h ALA 398 N 0.87 0.19 -0.90 0.00 0.00 -0.85 -0.62 119.26 117.94 3ab4 h ALA 398 Ca 0.07 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.02 3ab4 h ALA 398 Cb 0.27 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 3ab4 h ALA 398 CO 0.00 -0.38 0.59 0.00 0.00 0.00 0.00 179.25 179.46 3ab4 h ARG 399 N 0.13 1.16 -0.13 0.00 -0.00 -1.43 -1.17 114.38 112.94 3ab4 h ARG 399 Ca 0.08 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.98 59.47 3ab4 h ARG 399 Cb 0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 29.97 29.76 3ab4 h ARG 399 CO -0.09 0.77 0.04 0.00 0.00 0.00 0.00 179.97 180.69 3ab4 h ALA 400 N 1.34 0.17 -0.50 0.04 0.00 -0.92 -2.44 119.26 116.95 3ab4 h ALA 400 Ca 0.34 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3ab4 h ALA 400 Cb -0.10 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3ab4 h ALA 400 CO -0.08 -0.20 0.28 -0.07 0.00 0.00 0.00 179.25 179.17 3ab4 h LEU 401 N 0.02 0.62 0.22 0.00 -0.00 -1.00 -1.82 115.31 113.35 3ab4 h LEU 401 Ca 0.04 -0.09 0.00 0.00 -0.00 0.00 0.00 57.88 57.84 3ab4 h LEU 401 Cb 0.24 -0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 40.72 3ab4 h LEU 401 CO -0.00 0.53 -0.22 -0.74 -0.00 0.00 0.00 178.44 178.01 3ab4 h HIS 402 N 0.66 -0.59 0.03 1.13 2.76 -1.10 -2.46 115.15 115.58 3ab4 h HIS 402 Ca 0.18 0.00 -0.22 0.00 -2.20 0.00 0.00 60.37 58.13 3ab4 h HIS 402 Cb 0.04 0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.22 3ab4 h HIS 402 CO -0.02 -0.33 -0.98 0.93 -1.30 0.00 0.00 177.93 176.23 3ab4 h GLU 403 N -0.48 0.21 -0.48 5.26 4.39 -1.44 0.33 114.58 122.38 3ab4 h GLU 403 Ca -0.00 -0.27 0.10 0.00 0.34 0.00 0.00 59.36 59.52 3ab4 h GLU 403 Cb 0.45 0.09 -0.09 0.00 -0.10 0.00 0.00 28.75 29.09 3ab4 h GLU 403 CO -0.05 1.04 -0.16 0.37 -1.16 0.00 0.00 179.01 179.05 3ab4 h GLN 404 N 0.10 -0.04 -0.01 2.33 5.75 -1.31 -2.15 115.11 119.78 3ab4 h GLN 404 Ca -0.06 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.44 3ab4 h GLN 404 Cb 1.65 0.01 0.00 0.00 1.07 0.00 0.00 27.48 30.21 3ab4 h GLN 404 CO 0.15 -0.03 -0.28 1.19 -2.65 0.00 0.00 178.83 177.21 3ab4 n PHE 405 N -5.37 0.00 -2.71 3.99 3.72 -0.93 -4.97 117.46 111.18 3ab4 n PHE 405 Ca 0.04 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.33 3ab4 n PHE 405 Cb 0.28 -0.10 0.02 0.00 -0.94 0.00 0.00 39.48 38.74 3ab4 n PHE 405 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 3ab4 n GLN 406 N -0.54 -2.71 0.26 -1.08 -0.06 0.11 -4.91 117.38 108.46 3ab4 n GLN 406 Ca 0.12 0.43 0.16 0.00 -2.00 0.00 0.00 57.00 55.71 3ab4 n GLN 406 Cb 0.37 -4.29 0.58 0.00 -4.06 0.00 0.00 30.24 22.83 3ab4 n GLN 406 CO 0.00 0.00 0.00 -0.07 -0.20 0.00 0.00 177.06 176.79 3ab4 h LEU 407 N -0.82 0.00 0.00 1.69 3.38 -1.73 -3.43 115.31 114.40 3ab4 h LEU 407 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3ab4 h LEU 407 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3ab4 h LEU 407 CO 0.28 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.44 3ab4 n GLY 408 N 0.23 1.19 0.38 0.83 0.00 -1.26 -4.64 105.19 101.92 3ab4 n GLY 408 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.08 3ab4 n GLY 408 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93