#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ab4 s LEU 3 N 0.00 4.87 -0.19 0.00 0.20 -1.26 -0.19 118.68 122.11 3ab4 s LEU 3 Ca 0.00 -1.28 -0.00 0.00 0.69 0.00 0.00 54.13 53.53 3ab4 s LEU 3 Cb 0.00 -1.98 0.01 0.00 -0.43 0.00 0.00 46.19 43.79 3ab4 s LEU 3 CO 0.00 -0.45 -0.16 0.54 -0.29 0.00 0.00 176.35 175.99 3ab4 s VAL 4 N 1.46 2.45 -0.07 1.68 0.11 0.17 -0.58 120.40 125.62 3ab4 s VAL 4 Ca 0.02 -0.81 -0.12 0.00 -2.93 0.00 0.00 61.98 58.13 3ab4 s VAL 4 Cb -0.21 -2.05 -0.05 0.00 -1.53 0.00 0.00 36.38 32.54 3ab4 s VAL 4 CO 0.04 0.51 0.31 -0.69 -3.33 0.00 0.00 175.10 171.93 3ab4 s VAL 5 N 1.26 5.23 -0.07 2.04 1.01 -0.78 -2.81 120.40 126.28 3ab4 s VAL 5 Ca 0.03 0.59 0.01 0.00 0.00 0.00 0.00 61.98 62.62 3ab4 s VAL 5 Cb -0.14 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.66 3ab4 s VAL 5 CO -0.09 0.55 -0.06 -1.10 0.00 0.00 0.00 175.10 174.40 3ab4 s GLN 6 N -0.74 1.15 -0.11 2.72 -0.21 -0.35 -0.15 119.66 121.98 3ab4 s GLN 6 Ca 0.20 -0.18 0.02 0.00 0.02 0.00 0.00 55.36 55.42 3ab4 s GLN 6 Cb -0.15 -1.15 -0.01 0.00 1.00 0.00 0.00 33.01 32.71 3ab4 s GLN 6 CO 0.09 -0.12 -0.17 0.21 -2.12 0.00 0.00 175.29 173.17 3ab4 s LYS 7 N 1.16 3.13 -0.12 2.91 2.36 -0.06 0.05 119.74 129.18 3ab4 s LYS 7 Ca -0.06 -0.76 0.01 0.00 -2.55 0.00 0.00 55.97 52.60 3ab4 s LYS 7 Cb -0.14 -2.47 -0.01 0.00 -1.05 0.00 0.00 37.83 34.16 3ab4 s LYS 7 CO -0.01 0.26 -0.15 0.71 1.55 0.00 0.00 175.35 177.70 3ab4 s TYR 8 N 0.20 2.75 0.84 4.03 2.02 -0.51 0.09 117.35 126.77 3ab4 s TYR 8 Ca -0.11 -0.70 -0.11 0.00 -0.37 0.00 0.00 57.07 55.78 3ab4 s TYR 8 Cb -0.16 -1.81 0.12 0.00 -0.40 0.00 0.00 41.96 39.72 3ab4 s TYR 8 CO 0.06 -0.23 1.18 0.20 -1.57 0.00 0.00 175.55 175.19 3ab4 s GLY 9 N 0.29 1.70 0.23 0.71 0.00 -0.83 -1.48 107.32 107.93 3ab4 s GLY 9 Ca -0.11 -1.01 -0.07 0.00 0.00 0.00 0.00 44.72 43.53 3ab4 s GLY 9 CO 0.06 -0.43 1.73 -1.33 0.00 0.00 0.00 173.10 173.13 3ab4 h GLY 10 N -1.13 0.98 1.06 0.20 0.00 -1.77 -1.53 103.07 100.88 3ab4 h GLY 10 Ca -0.44 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 46.77 3ab4 h GLY 10 CO 0.52 -0.08 0.55 1.48 0.00 0.00 0.00 176.54 179.01 3ab4 h SER 11 N 0.40 1.10 0.04 0.19 4.64 -1.87 0.26 113.55 118.30 3ab4 h SER 11 Ca 0.36 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.61 3ab4 h SER 11 Cb 0.52 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3ab4 h SER 11 CO -0.38 0.85 -0.01 0.28 -0.87 0.00 0.00 176.83 176.70 3ab4 h SER 12 N 1.26 0.00 -0.12 4.97 0.02 -1.62 -2.97 113.55 115.10 3ab4 h SER 12 Ca 0.33 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.20 3ab4 h SER 12 Cb -0.05 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.44 3ab4 h SER 12 CO -0.06 0.01 -0.48 0.18 -1.14 0.00 0.00 176.83 175.34 3ab4 n LEU 13 N -3.85 3.11 0.03 5.07 4.77 -0.79 -4.24 117.00 121.10 3ab4 n LEU 13 Ca -0.03 -3.98 0.11 0.00 -0.03 0.00 0.00 56.01 52.08 3ab4 n LEU 13 Cb 0.10 -0.53 0.47 0.00 -2.33 0.00 0.00 43.42 41.13 3ab4 n LEU 13 CO 0.28 1.47 0.86 -1.84 -1.33 0.00 0.00 177.39 176.82 3ab4 n GLU 14 N -1.08 0.07 -3.59 3.23 0.28 -0.93 -3.93 120.64 114.68 3ab4 n GLU 14 Ca 0.23 0.18 -0.11 0.00 -0.16 0.00 0.00 57.16 57.30 3ab4 n GLU 14 Cb 0.76 -1.60 -0.03 0.00 1.43 0.00 0.00 31.44 32.00 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 -3.41 -0.38 0.16 -1.84 1.04 -1.26 -4.69 113.70 103.32 3ab4 s SER 15 Ca 0.10 -0.25 -0.19 0.00 0.48 0.00 0.00 55.95 56.09 3ab4 s SER 15 Cb 0.13 0.58 0.08 0.00 0.10 0.00 0.00 66.02 66.91 3ab4 s SER 15 CO 0.43 -1.00 1.65 0.00 0.98 0.00 0.00 173.24 175.31 3ab4 h ALA 16 N 2.14 0.14 -0.67 5.32 0.00 -1.98 0.21 119.26 124.41 3ab4 h ALA 16 Ca -0.31 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3ab4 h ALA 16 Cb 1.28 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 19.42 3ab4 h ALA 16 CO 0.39 -0.52 0.35 1.05 0.00 0.00 0.00 179.25 180.51 3ab4 h GLU 17 N -0.08 0.93 -0.01 0.00 4.11 -1.98 0.27 114.58 117.82 3ab4 h GLU 17 Ca 0.18 -0.11 -0.17 0.00 0.07 0.00 0.00 59.36 59.34 3ab4 h GLU 17 Cb 0.36 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 3ab4 h GLU 17 CO -0.42 0.70 -0.76 0.00 0.07 0.00 0.00 179.01 178.59 3ab4 h ARG 18 N 0.94 0.08 -0.42 1.06 3.08 -1.74 -0.79 114.38 116.59 3ab4 h ARG 18 Ca 0.24 -0.08 -0.11 0.00 0.07 0.00 0.00 59.98 60.10 3ab4 h ARG 18 Cb 0.05 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 3ab4 h ARG 18 CO -0.04 0.80 -0.19 0.82 -1.07 0.00 0.00 179.97 180.30 3ab4 h ILE 19 N 0.05 1.27 -0.34 2.04 2.04 0.41 -1.28 117.51 121.70 3ab4 h ILE 19 Ca -0.02 -1.30 -0.11 0.00 1.00 0.00 0.00 64.86 64.44 3ab4 h ILE 19 Cb 1.34 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 3ab4 h ILE 19 CO 0.11 0.44 -0.25 0.03 0.00 0.00 0.00 178.15 178.47 3ab4 h ARG 20 N 0.71 0.67 -0.43 2.37 3.08 -0.38 -1.98 114.38 118.43 3ab4 h ARG 20 Ca 0.10 -0.27 -0.03 0.00 0.07 0.00 0.00 59.98 59.85 3ab4 h ARG 20 Cb 0.70 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.70 3ab4 h ARG 20 CO 0.05 0.86 0.12 -0.97 -1.07 0.00 0.00 179.97 178.96 3ab4 h ASN 21 N 0.58 0.57 0.03 7.04 -0.73 -0.82 -1.42 115.58 120.83 3ab4 h ASN 21 Ca 0.08 -0.08 -0.19 0.00 1.87 0.00 0.00 56.30 57.98 3ab4 h ASN 21 Cb 0.74 -0.15 0.00 0.00 0.27 0.00 0.00 38.32 39.18 3ab4 h ASN 21 CO 0.06 0.56 -0.69 0.58 -0.37 0.00 0.00 177.43 177.57 3ab4 h VAL 22 N 0.62 1.32 0.38 2.57 2.07 -1.04 -3.23 116.25 118.95 3ab4 h VAL 22 Ca 0.14 -1.97 -0.02 0.00 0.82 0.00 0.00 66.70 65.67 3ab4 h VAL 22 Cb 0.21 1.95 -0.00 0.00 -1.52 0.00 0.00 31.29 31.93 3ab4 h VAL 22 CO -0.01 0.61 -0.21 0.00 0.02 0.00 0.00 177.57 177.99 3ab4 h ALA 23 N 0.80 -0.55 -1.09 1.67 0.00 -0.93 -0.50 119.26 118.66 3ab4 h ALA 23 Ca -0.03 -0.11 0.38 0.00 0.00 0.00 0.00 54.91 55.15 3ab4 h ALA 23 Cb 1.28 0.24 -0.15 0.00 0.00 0.00 0.00 17.79 19.16 3ab4 h ALA 23 CO 0.13 -0.81 0.64 1.49 0.00 0.00 0.00 179.25 180.69 3ab4 h GLU 24 N -0.55 0.15 0.00 0.00 4.81 -1.33 0.36 114.58 118.03 3ab4 h GLU 24 Ca -0.05 -0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.00 3ab4 h GLU 24 Cb 0.44 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 3ab4 h GLU 24 CO 0.07 0.10 -1.86 -2.13 -0.73 0.00 0.00 179.01 174.46 3ab4 n ARG 25 N -5.02 0.65 -0.25 1.92 0.63 -1.12 -1.44 116.66 112.04 3ab4 n ARG 25 Ca 0.35 0.02 -0.07 0.00 -0.92 0.00 0.00 57.85 57.23 3ab4 n ARG 25 Cb 1.20 -1.64 0.04 0.00 0.45 0.00 0.00 32.46 32.52 3ab4 n ARG 25 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 3ab4 h ILE 26 N 0.00 1.26 -0.06 5.15 2.04 0.62 -2.05 117.51 124.47 3ab4 h ILE 26 Ca -0.22 -0.92 -0.12 0.00 1.00 0.00 0.00 64.86 64.61 3ab4 h ILE 26 Cb 1.58 0.53 0.01 0.00 -0.74 0.00 0.00 36.82 38.20 3ab4 h ILE 26 CO 0.03 0.35 -0.41 0.58 0.00 0.00 0.00 178.15 178.70 3ab4 h VAL 27 N 1.03 1.42 -0.95 1.67 2.07 -1.10 -2.56 116.25 117.82 3ab4 h VAL 27 Ca 0.22 -1.83 0.14 0.00 0.82 0.00 0.00 66.70 66.05 3ab4 h VAL 27 Cb 0.33 2.38 -0.09 0.00 -1.52 0.00 0.00 31.29 32.39 3ab4 h VAL 27 CO -0.00 0.53 0.57 0.00 0.02 0.00 0.00 177.57 178.69 3ab4 h ALA 28 N 0.41 1.48 -0.75 1.67 0.00 -1.25 0.17 119.26 120.98 3ab4 h ALA 28 Ca -0.03 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3ab4 h ALA 28 Cb 1.08 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 3ab4 h ALA 28 CO 0.08 0.07 0.29 1.15 0.00 0.00 0.00 179.25 180.84 3ab4 h THR 29 N 0.83 1.26 0.15 0.00 2.02 -1.35 -0.91 112.91 114.89 3ab4 h THR 29 Ca 0.51 -0.81 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 3ab4 h THR 29 Cb 0.63 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 3ab4 h THR 29 CO -0.32 0.33 -0.07 0.50 0.37 0.00 0.00 175.52 176.33 3ab4 h LYS 30 N 1.08 -0.19 0.00 6.66 1.63 -0.44 -3.00 116.57 122.31 3ab4 h LYS 30 Ca 0.25 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 60.06 3ab4 h LYS 30 Cb 0.23 0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 31.90 3ab4 h LYS 30 CO -0.02 -0.11 -0.01 0.87 -3.45 0.00 0.00 179.45 176.73 3ab4 h LYS 31 N -0.22 0.00 0.00 1.90 1.57 -0.44 -1.68 116.57 117.69 3ab4 h LYS 31 Ca -0.02 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 3ab4 h LYS 31 Cb 0.17 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 3ab4 h LYS 31 CO 0.03 0.01 -0.26 0.00 -0.57 0.00 0.00 179.45 178.67 3ab4 h ALA 32 N 1.99 1.14 0.00 3.86 0.00 -1.03 -3.46 119.26 121.76 3ab4 h ALA 32 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3ab4 h ALA 32 Cb 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3ab4 h ALA 32 CO 0.00 0.32 0.00 0.41 0.00 0.00 0.00 179.25 179.99 3ab4 n GLY 33 N -0.16 0.97 3.02 0.00 0.00 -0.65 -5.03 105.19 103.33 3ab4 n GLY 33 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 3ab4 n GLY 33 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ab4 s ASN 34 N -0.38 0.75 0.04 1.61 -0.87 -1.09 -1.76 114.94 113.24 3ab4 s ASN 34 Ca 0.00 -0.34 -0.23 0.00 -1.57 0.00 0.00 52.86 50.72 3ab4 s ASN 34 Cb 0.00 -0.01 -0.06 0.00 -0.02 0.00 0.00 41.25 41.16 3ab4 s ASN 34 CO 0.00 -0.08 0.69 -1.81 -2.57 0.00 0.00 177.10 173.33 3ab4 s ASP 35 N -0.92 7.13 -0.04 -1.22 -0.00 0.74 -4.40 116.67 117.96 3ab4 s ASP 35 Ca -0.04 1.35 -0.00 0.00 -0.00 0.00 0.00 52.55 53.85 3ab4 s ASP 35 Cb -0.06 -2.43 0.03 0.00 -0.00 0.00 0.00 42.92 40.46 3ab4 s ASP 35 CO 0.00 0.08 0.01 0.54 -0.00 0.00 0.00 175.17 175.80 3ab4 s VAL 36 N -0.25 0.18 -0.10 -1.27 0.11 -1.26 -0.66 120.40 117.15 3ab4 s VAL 36 Ca 0.35 0.13 0.04 0.00 -2.93 0.00 0.00 61.98 59.57 3ab4 s VAL 36 Cb -0.20 -0.30 0.00 0.00 -1.53 0.00 0.00 36.38 34.35 3ab4 s VAL 36 CO 0.21 0.17 -0.23 0.68 -3.33 0.00 0.00 175.10 172.60 3ab4 s VAL 37 N 1.33 2.00 0.07 2.04 -7.23 -1.12 -2.63 120.40 114.85 3ab4 s VAL 37 Ca -0.05 -0.98 0.08 0.00 -1.81 0.00 0.00 61.98 59.22 3ab4 s VAL 37 Cb -0.13 -1.74 -0.03 0.00 0.56 0.00 0.00 36.38 35.04 3ab4 s VAL 37 CO -0.02 0.55 -0.19 0.54 -0.31 0.00 0.00 175.10 175.66 3ab4 s VAL 38 N 0.44 2.73 -0.07 1.32 0.11 0.14 -1.21 120.40 123.87 3ab4 s VAL 38 Ca -0.17 -1.32 0.04 0.00 -2.93 0.00 0.00 61.98 57.60 3ab4 s VAL 38 Cb -0.17 -2.17 0.00 0.00 -1.53 0.00 0.00 36.38 32.50 3ab4 s VAL 38 CO 0.07 0.26 -0.18 -0.69 -3.33 0.00 0.00 175.10 171.23 3ab4 s VAL 39 N -0.98 1.55 -0.04 2.04 1.01 0.11 -1.68 120.40 122.40 3ab4 s VAL 39 Ca 0.15 -0.75 0.05 0.00 0.00 0.00 0.00 61.98 61.43 3ab4 s VAL 39 Cb -0.10 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 34.90 3ab4 s VAL 39 CO 0.06 0.44 -0.19 0.00 0.00 0.00 0.00 175.10 175.42 3ab4 s SER 41 N -0.65 5.59 0.72 0.00 0.01 -0.55 -4.86 113.70 113.96 3ab4 s SER 41 Ca 0.10 1.01 -0.15 0.00 1.31 0.00 0.00 55.95 58.22 3ab4 s SER 41 Cb -0.11 -1.91 0.03 0.00 0.21 0.00 0.00 66.02 64.24 3ab4 s SER 41 CO 0.00 -1.18 1.21 0.00 0.41 0.00 0.00 173.24 173.68 3ab4 s ALA 42 N -3.20 2.16 0.20 1.44 0.00 -1.26 -4.73 121.76 116.38 3ab4 s ALA 42 Ca 0.56 0.91 -0.30 0.00 0.00 0.00 0.00 51.96 53.12 3ab4 s ALA 42 Cb -0.11 -3.47 -0.09 0.00 0.00 0.00 0.00 23.12 19.44 3ab4 s ALA 42 CO 0.49 -1.81 1.42 -1.64 0.00 0.00 0.00 175.76 174.23 3ab4 s MET 43 N -3.84 4.29 3.02 0.00 1.00 -1.26 -4.03 119.30 118.47 3ab4 s MET 43 Ca 0.75 2.22 0.00 0.00 0.00 0.00 0.00 55.69 58.66 3ab4 s MET 43 Cb -0.30 -3.16 0.00 0.00 0.00 0.00 0.00 34.83 31.37 3ab4 s MET 43 CO 0.44 -0.42 0.00 0.41 0.00 0.00 0.00 175.02 175.45 3ab4 n GLY 44 N 2.73 1.38 0.57 -0.03 0.00 0.86 -0.82 105.19 109.87 3ab4 n GLY 44 Ca 0.09 0.54 0.06 0.00 0.00 0.00 0.00 46.02 46.71 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 7.82 2.49 -0.18 1.61 8.00 -1.26 -4.19 116.55 130.84 3ab4 n ASP 45 Ca 0.00 -1.75 0.21 0.00 0.71 0.00 0.00 54.79 53.95 3ab4 n ASP 45 Cb 0.00 -0.13 0.58 0.00 -0.02 0.00 0.00 41.12 41.56 3ab4 n ASP 45 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3ab4 h THR 46 N 2.20 0.68 -0.78 -3.53 1.35 -1.26 0.13 112.91 111.70 3ab4 h THR 46 Ca 0.00 -0.09 -0.01 0.00 -0.55 0.00 0.00 66.41 65.76 3ab4 h THR 46 Cb 0.62 0.40 -0.04 0.00 -1.73 0.00 0.00 68.15 67.40 3ab4 h THR 46 CO 0.00 0.05 0.43 0.74 -0.25 0.00 0.00 175.52 176.49 3ab4 h THR 47 N 0.26 1.23 -0.36 6.82 2.02 -1.85 0.57 112.91 121.61 3ab4 h THR 47 Ca 0.41 -0.57 -0.13 0.00 0.77 0.00 0.00 66.41 66.89 3ab4 h THR 47 Cb 1.20 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 3ab4 h THR 47 CO -0.10 0.26 -0.30 0.44 0.37 0.00 0.00 175.52 176.19 3ab4 h ASP 48 N 1.08 0.79 -0.31 4.18 3.32 -1.14 -2.11 116.42 122.23 3ab4 h ASP 48 Ca 0.27 -0.32 -0.11 0.00 0.02 0.00 0.00 57.03 56.90 3ab4 h ASP 48 Cb 0.03 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 3ab4 h ASP 48 CO -0.04 1.04 -0.20 -0.33 -1.72 0.00 0.00 179.24 177.98 3ab4 h GLU 49 N 0.65 0.79 -0.17 3.56 5.08 -1.01 -1.64 114.58 121.84 3ab4 h GLU 49 Ca 0.08 -0.31 -0.05 0.00 -1.00 0.00 0.00 59.36 58.08 3ab4 h GLU 49 Cb 0.83 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 3ab4 h GLU 49 CO 0.07 0.92 -0.07 -0.07 -1.00 0.00 0.00 179.01 178.86 3ab4 h LEU 50 N 0.69 0.36 -1.44 1.33 4.07 -0.81 -0.59 115.31 118.92 3ab4 h LEU 50 Ca 0.10 -0.40 0.13 0.00 0.08 0.00 0.00 57.88 57.78 3ab4 h LEU 50 Cb 0.71 -0.10 -0.05 0.00 1.08 0.00 0.00 40.66 42.29 3ab4 h LEU 50 CO 0.05 0.68 0.51 -0.07 -1.08 0.00 0.00 178.44 178.54 3ab4 h LEU 51 N 0.03 0.53 -0.09 1.67 -0.00 -1.36 0.23 115.31 116.33 3ab4 h LEU 51 Ca 0.04 0.02 -0.02 0.00 -0.00 0.00 0.00 57.88 57.92 3ab4 h LEU 51 Cb 0.54 -0.08 -0.00 0.00 -0.00 0.00 0.00 40.66 41.11 3ab4 h LEU 51 CO 0.02 0.29 -0.04 -0.08 -0.00 0.00 0.00 178.44 178.64 3ab4 h GLU 52 N 0.58 0.18 -0.60 1.13 4.81 -0.96 -1.72 114.58 118.00 3ab4 h GLU 52 Ca 0.38 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.47 3ab4 h GLU 52 Cb 0.66 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.01 3ab4 h GLU 52 CO -0.14 0.53 0.14 -0.07 -0.73 0.00 0.00 179.01 178.75 3ab4 h LEU 53 N -0.19 0.91 -0.21 1.64 -0.00 -0.63 -1.77 115.31 115.06 3ab4 h LEU 53 Ca 0.02 -0.23 0.04 0.00 -0.00 0.00 0.00 57.88 57.70 3ab4 h LEU 53 Cb 0.48 -0.24 -0.03 0.00 -0.00 0.00 0.00 40.66 40.86 3ab4 h LEU 53 CO 0.01 0.91 -0.01 0.00 -0.00 0.00 0.00 178.44 179.36 3ab4 h ALA 54 N 1.04 0.18 -0.37 1.53 0.00 -0.58 -1.26 119.26 119.80 3ab4 h ALA 54 Ca 0.19 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.20 3ab4 h ALA 54 Cb 0.36 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 3ab4 h ALA 54 CO 0.00 -0.43 0.15 0.00 0.00 0.00 0.00 179.25 178.97 3ab4 h ALA 55 N 1.19 0.44 -0.11 0.00 0.00 -0.92 0.10 119.26 119.97 3ab4 h ALA 55 Ca 0.10 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3ab4 h ALA 55 Cb 0.13 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3ab4 h ALA 55 CO -0.18 -0.24 -0.31 0.00 0.00 0.00 0.00 179.25 178.53 3ab4 h ALA 56 N 1.23 1.29 0.13 0.00 0.00 -1.14 -2.69 119.26 118.07 3ab4 h ALA 56 Ca 0.17 -0.33 -0.28 0.00 0.00 0.00 0.00 54.91 54.46 3ab4 h ALA 56 Cb 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3ab4 h ALA 56 CO -0.15 0.49 -1.33 0.28 0.00 0.00 0.00 179.25 178.54 3ab4 h VAL 57 N 0.18 1.40 -1.94 0.00 2.07 -0.61 -3.43 116.25 113.91 3ab4 h VAL 57 Ca 0.02 -2.99 -0.07 0.00 0.82 0.00 0.00 66.70 64.49 3ab4 h VAL 57 Cb 0.64 2.89 -0.27 0.00 -1.52 0.00 0.00 31.29 33.03 3ab4 h VAL 57 CO 0.05 0.87 -0.38 0.21 0.02 0.00 0.00 177.57 178.34 3ab4 s ASN 58 N -7.09 -0.33 0.47 0.57 3.04 0.30 -5.09 114.94 106.80 3ab4 s ASN 58 Ca -0.05 0.71 -0.22 0.00 0.04 0.00 0.00 52.86 53.34 3ab4 s ASN 58 Cb 0.07 1.49 -0.08 0.00 -1.54 0.00 0.00 41.25 41.19 3ab4 s ASN 58 CO 0.88 -0.26 1.10 -2.16 -3.04 0.00 0.00 177.10 173.61 3ab4 s PRO 59 N 2.66 3.79 -1.00 0.43 0.05 -1.02 -3.26 135.00 136.65 3ab4 s PRO 59 Ca 0.08 1.58 -0.04 0.00 0.05 0.00 0.00 61.00 62.68 3ab4 s PRO 59 Cb -0.14 -2.29 -0.04 0.00 0.05 0.00 0.00 34.50 32.08 3ab4 s PRO 59 CO -0.16 -0.48 0.86 0.28 0.05 0.00 0.00 177.00 177.55 3ab4 n VAL 60 N -0.65 -7.57 -1.65 -0.36 0.31 -1.26 -4.93 118.33 102.23 3ab4 n VAL 60 Ca 0.08 -1.00 -0.50 0.00 -0.01 0.00 0.00 64.34 62.91 3ab4 n VAL 60 Cb 0.50 -5.79 -0.05 0.00 -0.91 0.00 0.00 33.84 27.59 3ab4 n VAL 60 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3ab4 n PRO 61 N -3.31 1.69 -2.03 5.55 -0.02 -1.20 -4.94 135.00 130.74 3ab4 n PRO 61 Ca -0.12 0.61 -0.40 0.00 -2.02 0.00 0.00 63.50 61.57 3ab4 n PRO 61 Cb 0.62 -2.34 -0.01 0.00 -0.02 0.00 0.00 33.50 31.76 3ab4 n PRO 61 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3ab4 s PRO 62 N 1.45 4.02 0.31 0.52 0.02 -1.26 -4.89 135.00 135.18 3ab4 s PRO 62 Ca 0.85 2.21 0.02 0.00 0.02 0.00 0.00 61.00 64.10 3ab4 s PRO 62 Cb -0.82 -2.82 0.59 0.00 0.02 0.00 0.00 34.50 31.48 3ab4 s PRO 62 CO 0.46 -0.46 1.89 0.00 -0.33 0.00 0.00 177.00 178.56 3ab4 h ALA 63 N 2.79 1.58 0.48 -1.55 0.00 -1.98 -1.52 119.26 119.06 3ab4 h ALA 63 Ca -0.50 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 3ab4 h ALA 63 Cb 1.24 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3ab4 h ALA 63 CO 0.63 0.25 -0.23 -0.09 0.00 0.00 0.00 179.25 179.81 3ab4 h ARG 64 N 0.95 -0.63 -0.04 0.00 2.43 -1.99 0.15 114.38 115.26 3ab4 h ARG 64 Ca 0.42 0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.55 3ab4 h ARG 64 Cb 0.34 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 3ab4 h ARG 64 CO -0.18 -0.36 -0.35 1.05 -1.51 0.00 0.00 179.97 178.62 3ab4 h GLU 65 N -0.77 0.08 -0.45 0.20 9.09 -1.91 0.15 114.58 120.97 3ab4 h GLU 65 Ca -0.07 -0.03 -0.03 0.00 0.05 0.00 0.00 59.36 59.28 3ab4 h GLU 65 Cb 0.55 -0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.63 3ab4 h GLU 65 CO 0.11 0.42 0.16 0.52 0.05 0.00 0.00 179.01 180.28 3ab4 h MET 66 N 0.07 0.68 -0.68 1.06 2.86 -1.08 -0.10 114.93 117.73 3ab4 h MET 66 Ca 0.01 -0.13 -0.08 0.00 -2.06 0.00 0.00 59.70 57.44 3ab4 h MET 66 Cb 0.66 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.18 3ab4 h MET 66 CO 0.05 0.63 0.12 0.22 1.06 0.00 0.00 176.91 179.00 3ab4 h ASP 67 N 0.58 1.06 -0.50 1.22 -0.00 0.08 -2.09 116.42 116.77 3ab4 h ASP 67 Ca 0.15 -0.25 0.04 0.00 -0.00 0.00 0.00 57.03 56.97 3ab4 h ASP 67 Cb 0.22 -0.28 -0.04 0.00 -0.00 0.00 0.00 39.33 39.23 3ab4 h ASP 67 CO -0.01 1.04 0.26 -0.03 -0.00 0.00 0.00 179.24 180.50 3ab4 h MET 68 N 1.05 0.50 0.43 0.28 4.05 -0.82 -1.82 114.93 118.59 3ab4 h MET 68 Ca 0.21 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.58 3ab4 h MET 68 Cb 0.42 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.12 3ab4 h MET 68 CO 0.01 0.33 -0.21 1.25 0.23 0.00 0.00 176.91 178.52 3ab4 h LEU 69 N 0.51 -0.49 -0.44 3.39 5.85 -0.50 -2.40 115.31 121.23 3ab4 h LEU 69 Ca 0.22 -0.02 -0.17 0.00 0.84 0.00 0.00 57.88 58.75 3ab4 h LEU 69 Cb 0.11 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 3ab4 h LEU 69 CO -0.14 -0.31 -0.62 -0.07 -0.34 0.00 0.00 178.44 176.97 3ab4 h LEU 70 N -0.64 0.64 -0.55 2.25 3.38 -1.41 -2.44 115.31 116.55 3ab4 h LEU 70 Ca -0.06 -0.37 0.08 0.00 0.09 0.00 0.00 57.88 57.62 3ab4 h LEU 70 Cb 0.48 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.98 3ab4 h LEU 70 CO 0.10 1.10 0.21 0.74 0.09 0.00 0.00 178.44 180.68 3ab4 h THR 71 N 0.42 0.82 -0.23 0.22 2.02 -1.35 -0.03 112.91 114.78 3ab4 h THR 71 Ca -0.01 -0.14 0.02 0.00 0.77 0.00 0.00 66.41 67.06 3ab4 h THR 71 Cb 1.18 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 3ab4 h THR 71 CO 0.12 0.07 0.08 0.00 0.37 0.00 0.00 175.52 176.16 3ab4 h ALA 72 N 1.36 0.26 -0.85 6.16 0.00 -1.14 0.25 119.26 125.30 3ab4 h ALA 72 Ca 0.27 0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.30 3ab4 h ALA 72 Cb 0.29 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 3ab4 h ALA 72 CO -0.26 -0.33 0.49 0.78 0.00 0.00 0.00 179.25 179.93 3ab4 h GLY 73 N 0.19 1.32 1.53 0.00 0.00 -0.94 -1.34 103.07 103.83 3ab4 h GLY 73 Ca 0.10 -0.33 -0.08 0.00 0.00 0.00 0.00 47.33 47.02 3ab4 h GLY 73 CO -0.10 0.14 -0.16 0.83 0.00 0.00 0.00 176.54 177.25 3ab4 h GLU 74 N 0.82 0.56 -0.05 4.80 5.08 0.05 -3.10 114.58 122.75 3ab4 h GLU 74 Ca 0.41 -0.18 -0.12 0.00 -1.00 0.00 0.00 59.36 58.47 3ab4 h GLU 74 Cb 0.37 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3ab4 h GLU 74 CO -0.25 0.70 -0.52 0.00 -1.00 0.00 0.00 179.01 177.94 3ab4 h ARG 75 N 0.51 0.13 0.01 2.33 3.08 0.53 -1.67 114.38 119.29 3ab4 h ARG 75 Ca 0.09 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 3ab4 h ARG 75 Cb 0.57 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.62 3ab4 h ARG 75 CO 0.04 0.62 -0.00 0.82 -1.07 0.00 0.00 179.97 180.37 3ab4 h ILE 76 N 0.10 1.08 -0.50 2.04 2.04 -1.29 -0.29 117.51 120.68 3ab4 h ILE 76 Ca 0.00 -0.26 0.02 0.00 1.00 0.00 0.00 64.86 65.62 3ab4 h ILE 76 Cb 0.96 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 38.26 3ab4 h ILE 76 CO 0.07 0.07 0.31 -1.28 0.00 0.00 0.00 178.15 177.32 3ab4 h SER 77 N -0.12 0.51 -0.04 1.72 0.87 -1.45 -2.53 113.55 112.51 3ab4 h SER 77 Ca -0.00 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 3ab4 h SER 77 Cb 0.12 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 61.97 3ab4 h SER 77 CO 0.00 0.36 -0.02 0.78 -0.53 0.00 0.00 176.83 177.42 3ab4 h ASN 78 N 0.62 0.09 -0.80 6.23 4.21 -1.20 -2.00 115.58 122.73 3ab4 h ASN 78 Ca 0.20 -0.43 0.19 0.00 1.21 0.00 0.00 56.30 57.47 3ab4 h ASN 78 Cb -0.01 -0.02 -0.13 0.00 -1.12 0.00 0.00 38.32 37.04 3ab4 h ASN 78 CO -0.08 0.49 0.19 0.00 -1.29 0.00 0.00 177.43 176.74 3ab4 h ALA 79 N 0.60 1.08 -0.31 -0.83 0.00 -0.99 -0.45 119.26 118.36 3ab4 h ALA 79 Ca 0.01 0.20 -0.17 0.00 0.00 0.00 0.00 54.91 54.95 3ab4 h ALA 79 Cb 0.46 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 3ab4 h ALA 79 CO 0.01 -0.39 -0.49 -0.07 0.00 0.00 0.00 179.25 178.30 3ab4 h LEU 80 N 0.23 0.93 -0.83 0.00 3.38 -1.36 -2.01 115.31 115.65 3ab4 h LEU 80 Ca 0.48 -0.47 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 3ab4 h LEU 80 Cb 0.88 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 3ab4 h LEU 80 CO -0.59 1.26 0.23 0.58 0.09 0.00 0.00 178.44 180.00 3ab4 h VAL 81 N 0.67 1.25 -0.83 1.22 2.07 -0.54 -1.00 116.25 119.09 3ab4 h VAL 81 Ca 0.03 -0.88 0.01 0.00 0.82 0.00 0.00 66.70 66.68 3ab4 h VAL 81 Cb 1.08 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 3ab4 h VAL 81 CO 0.11 0.35 0.55 0.00 0.02 0.00 0.00 177.57 178.59 3ab4 h ALA 82 N 1.18 1.05 -0.72 1.67 0.00 -1.02 -1.42 119.26 120.01 3ab4 h ALA 82 Ca 0.23 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 3ab4 h ALA 82 Cb 0.29 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3ab4 h ALA 82 CO -0.01 0.45 0.30 0.52 0.00 0.00 0.00 179.25 180.51 3ab4 h MET 83 N 1.11 1.07 -0.63 0.00 2.07 -0.65 -1.19 114.93 116.71 3ab4 h MET 83 Ca 0.30 -0.19 -0.07 0.00 -2.07 0.00 0.00 59.70 57.68 3ab4 h MET 83 Cb -0.12 -0.18 -0.03 0.00 -1.87 0.00 0.00 31.60 29.41 3ab4 h MET 83 CO -0.07 0.87 0.14 0.00 1.07 0.00 0.00 176.91 178.93 3ab4 h ALA 84 N 1.15 0.84 0.36 6.32 0.00 -0.77 -2.59 119.26 124.56 3ab4 h ALA 84 Ca 0.24 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3ab4 h ALA 84 Cb 0.19 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3ab4 h ALA 84 CO -0.02 0.57 -0.17 0.82 0.00 0.00 0.00 179.25 180.44 3ab4 h ILE 85 N 0.94 0.65 -0.93 0.00 1.08 -1.07 -2.91 117.51 115.28 3ab4 h ILE 85 Ca 0.20 -0.04 0.07 0.00 -0.39 0.00 0.00 64.86 64.70 3ab4 h ILE 85 Cb 0.38 0.67 -0.06 0.00 -3.07 0.00 0.00 36.82 34.74 3ab4 h ILE 85 CO 0.01 0.01 0.60 -0.33 -0.69 0.00 0.00 178.15 177.74 3ab4 h GLU 86 N -0.50 1.02 0.00 2.37 5.08 -1.11 0.15 114.58 121.59 3ab4 h GLU 86 Ca -0.05 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3ab4 h GLU 86 Cb 0.38 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3ab4 h GLU 86 CO 0.08 0.67 0.00 0.66 -1.00 0.00 0.00 179.01 179.42 3ab4 h SER 87 N 1.05 0.00 -0.27 1.42 4.64 -1.46 -3.09 113.55 115.83 3ab4 h SER 87 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 3ab4 h SER 87 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3ab4 h SER 87 CO -0.16 0.00 0.00 -0.11 -0.87 0.00 0.00 176.83 175.69 3ab4 n LEU 88 N -2.64 2.17 0.00 5.97 7.94 0.53 -4.91 117.00 126.06 3ab4 n LEU 88 Ca 0.03 -0.96 0.00 0.00 -1.11 0.00 0.00 56.01 53.97 3ab4 n LEU 88 Cb 0.35 -0.18 0.00 0.00 0.53 0.00 0.00 43.42 44.12 3ab4 n LEU 88 CO 0.27 0.48 0.00 0.61 -1.11 0.00 0.00 177.39 177.64 3ab4 n GLY 89 N 1.22 0.18 4.02 -3.96 0.00 -1.17 -5.07 105.19 100.41 3ab4 n GLY 89 Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 3ab4 n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ab4 s ALA 90 N -2.00 4.48 -0.04 4.61 0.00 -1.19 -5.05 121.76 122.57 3ab4 s ALA 90 Ca 0.00 -1.88 0.02 0.00 0.00 0.00 0.00 51.96 50.09 3ab4 s ALA 90 Cb 0.00 -1.62 0.01 0.00 0.00 0.00 0.00 23.12 21.51 3ab4 s ALA 90 CO 0.00 -0.73 -0.07 -1.83 0.00 0.00 0.00 175.76 173.14 3ab4 s GLU 91 N -4.62 0.92 0.29 0.00 -1.05 -1.26 -3.78 118.70 109.19 3ab4 s GLU 91 Ca 0.60 -0.20 0.08 0.00 -0.15 0.00 0.00 54.97 55.30 3ab4 s GLU 91 Cb -0.07 -0.87 -0.04 0.00 -0.44 0.00 0.00 34.13 32.71 3ab4 s GLU 91 CO 0.38 -0.00 0.14 0.00 0.95 0.00 0.00 175.26 176.72 3ab4 s ALA 92 N 0.60 3.47 0.01 -0.84 0.00 -1.26 -2.61 121.76 121.13 3ab4 s ALA 92 Ca -0.09 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.26 3ab4 s ALA 92 Cb -0.12 -1.00 -0.01 0.00 0.00 0.00 0.00 23.12 21.99 3ab4 s ALA 92 CO 0.01 0.18 -0.02 -1.14 0.00 0.00 0.00 175.76 174.78 3ab4 s GLN 93 N -3.81 0.19 0.07 0.00 0.74 -0.92 -4.92 119.66 111.01 3ab4 s GLN 93 Ca 0.35 -0.32 0.05 0.00 0.05 0.00 0.00 55.36 55.48 3ab4 s GLN 93 Cb -0.06 0.00 -0.04 0.00 1.10 0.00 0.00 33.01 34.01 3ab4 s GLN 93 CO 0.23 -0.01 -0.03 -1.12 -0.55 0.00 0.00 175.29 173.81 3ab4 s SER 94 N -0.73 4.84 -0.00 6.67 0.01 -1.26 -1.24 113.70 121.98 3ab4 s SER 94 Ca -0.07 -0.20 0.03 0.00 1.31 0.00 0.00 55.95 57.01 3ab4 s SER 94 Cb -0.05 -1.11 -0.01 0.00 0.21 0.00 0.00 66.02 65.06 3ab4 s SER 94 CO -0.00 0.20 -0.09 -0.36 0.41 0.00 0.00 173.24 173.40 3ab4 s PHE 95 N -1.22 0.79 -0.28 2.43 0.08 -0.58 -4.96 117.98 114.24 3ab4 s PHE 95 Ca 0.23 -0.17 0.08 0.00 0.12 0.00 0.00 56.93 57.20 3ab4 s PHE 95 Cb -0.11 -0.50 0.28 0.00 -0.57 0.00 0.00 43.02 42.11 3ab4 s PHE 95 CO 0.15 -0.01 1.24 2.41 -0.10 0.00 0.00 175.22 178.91 3ab4 n THR 96 N 2.78 0.00 0.00 0.64 -1.04 -1.26 -2.61 114.28 112.79 3ab4 n THR 96 Ca -0.14 -0.85 0.00 0.00 -2.04 0.00 0.00 64.05 61.02 3ab4 n THR 96 Cb 0.57 0.85 0.00 0.00 -1.82 0.00 0.00 70.33 69.93 3ab4 n THR 96 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ab4 n GLY 119 N -0.94 -0.00 0.31 3.41 0.00 -1.26 -4.99 105.19 101.73 3ab4 n GLY 119 Ca -0.12 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.96 3ab4 n GLY 119 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3ab4 h ARG 120 N 0.00 0.41 -0.29 1.61 9.65 -2.06 0.25 114.38 123.95 3ab4 h ARG 120 Ca 0.00 -0.02 -0.18 0.00 -1.10 0.00 0.00 59.98 58.68 3ab4 h ARG 120 Cb 0.00 -0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 28.49 3ab4 h ARG 120 CO 0.00 0.27 -0.52 -0.39 2.80 0.00 0.00 179.97 182.13 3ab4 h VAL 121 N 0.42 1.28 0.00 0.20 -1.51 -2.02 -2.88 116.25 111.74 3ab4 h VAL 121 Ca 0.15 -1.71 -0.03 0.00 -1.23 0.00 0.00 66.70 63.88 3ab4 h VAL 121 Cb 0.08 1.60 -0.00 0.00 -2.13 0.00 0.00 31.29 30.84 3ab4 h VAL 121 CO -0.03 0.56 -0.15 0.08 -1.23 0.00 0.00 177.57 176.79 3ab4 h ARG 122 N 0.66 0.00 -0.41 5.19 0.11 -1.75 0.95 114.38 119.14 3ab4 h ARG 122 Ca 0.02 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.02 3ab4 h ARG 122 Cb 1.12 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.18 3ab4 h ARG 122 CO 0.12 0.15 -0.08 1.05 0.10 0.00 0.00 179.97 181.31 3ab4 h GLU 123 N 0.00 0.70 0.12 0.08 4.11 -0.78 -2.80 114.58 116.01 3ab4 h GLU 123 Ca -0.00 -0.21 -0.21 0.00 0.07 0.00 0.00 59.36 59.01 3ab4 h GLU 123 Cb 0.47 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.66 3ab4 h GLU 123 CO 0.02 0.77 -0.98 0.00 0.07 0.00 0.00 179.01 178.89 3ab4 h ALA 124 N 1.27 0.02 -0.21 1.06 0.00 -1.15 -3.36 119.26 116.88 3ab4 h ALA 124 Ca 0.12 -0.83 0.05 0.00 0.00 0.00 0.00 54.91 54.24 3ab4 h ALA 124 Cb 0.52 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.48 3ab4 h ALA 124 CO 0.03 0.52 -0.44 1.37 0.00 0.00 0.00 179.25 180.73 3ab4 h LEU 125 N -0.41 -1.40 -8.88 0.00 8.10 -0.92 -2.72 115.31 109.07 3ab4 h LEU 125 Ca -0.20 0.19 -0.58 0.00 0.11 0.00 0.00 57.88 57.41 3ab4 h LEU 125 Cb 1.63 0.58 -0.03 0.00 -0.44 0.00 0.00 40.66 42.40 3ab4 h LEU 125 CO 0.10 -0.42 1.26 -1.81 -4.11 0.00 0.00 178.44 173.46 3ab4 s ASP 126 N -4.93 5.94 0.00 0.17 1.01 -1.06 -1.01 116.67 116.79 3ab4 s ASP 126 Ca -0.15 1.33 0.00 0.00 0.71 0.00 0.00 52.55 54.43 3ab4 s ASP 126 Cb 0.10 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.50 3ab4 s ASP 126 CO 0.64 -1.67 0.00 -0.62 0.21 0.00 0.00 175.17 173.73 3ab4 n GLU 127 N 8.37 0.00 -1.01 8.23 1.02 -1.23 -4.75 120.64 131.27 3ab4 n GLU 127 Ca 0.23 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.36 3ab4 n GLU 127 Cb 0.47 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.88 3ab4 n GLU 127 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ab4 n GLY 128 N 0.00 0.45 3.76 0.62 0.00 -0.18 -5.03 105.19 104.82 3ab4 n GLY 128 Ca 0.00 -0.57 -0.39 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.11 4.67 -0.29 1.61 -0.14 -1.03 -4.73 119.74 118.72 3ab4 s LYS 129 Ca 0.00 1.49 -0.19 0.00 -1.36 0.00 0.00 55.97 55.91 3ab4 s LYS 129 Cb 0.00 -3.04 -0.02 0.00 -1.68 0.00 0.00 37.83 33.09 3ab4 s LYS 129 CO 0.00 0.33 0.57 0.42 -0.76 0.00 0.00 175.35 175.91 3ab4 s ILE 130 N -1.36 5.00 -0.23 2.17 1.01 -1.07 -4.34 121.20 122.37 3ab4 s ILE 130 Ca 0.46 0.81 -0.14 0.00 0.00 0.00 0.00 60.65 61.79 3ab4 s ILE 130 Cb -0.24 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.25 3ab4 s ILE 130 CO 0.30 -0.06 0.31 0.00 0.00 0.00 0.00 174.94 175.49 3ab4 s ILE 132 N 1.39 3.87 -0.17 0.00 1.01 -0.38 0.26 121.20 127.20 3ab4 s ILE 132 Ca 0.14 -0.40 -0.06 0.00 0.00 0.00 0.00 60.65 60.32 3ab4 s ILE 132 Cb -0.15 -2.62 0.07 0.00 0.01 0.00 0.00 42.46 39.78 3ab4 s ILE 132 CO 0.07 0.58 0.36 0.54 0.00 0.00 0.00 174.94 176.49 3ab4 s VAL 133 N -0.58 -0.42 -1.19 2.92 0.11 -0.68 -1.53 120.40 119.04 3ab4 s VAL 133 Ca 0.09 0.19 -0.15 0.00 -2.93 0.00 0.00 61.98 59.18 3ab4 s VAL 133 Cb -0.12 -0.57 0.16 0.00 -1.53 0.00 0.00 36.38 34.32 3ab4 s VAL 133 CO 0.02 0.08 1.43 0.00 -3.33 0.00 0.00 175.10 173.30 3ab4 s ALA 134 N 2.24 3.88 0.00 1.54 0.00 -1.07 -4.52 121.76 123.83 3ab4 s ALA 134 Ca -0.03 -3.26 0.00 0.00 0.00 0.00 0.00 51.96 48.67 3ab4 s ALA 134 Cb -0.11 -4.16 0.00 0.00 0.00 0.00 0.00 23.12 18.84 3ab4 s ALA 134 CO -0.11 -2.84 0.00 -2.37 0.00 0.00 0.00 175.76 170.44 3ab4 n THR 143 N 4.86 0.00 0.00 0.00 5.66 -1.26 -4.60 114.28 118.94 3ab4 n THR 143 Ca 0.36 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 61.18 3ab4 n THR 143 Cb 0.44 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.13 3ab4 n THR 143 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 3ab4 h ARG 144 N 3.40 0.74 -2.43 1.09 3.08 -2.06 -3.32 114.38 114.87 3ab4 h ARG 144 Ca 0.00 -0.68 -0.61 0.00 0.07 0.00 0.00 59.98 58.76 3ab4 h ARG 144 Cb 0.00 0.16 -0.11 0.00 0.08 0.00 0.00 29.97 30.10 3ab4 h ARG 144 CO 0.00 1.27 1.77 -3.47 -1.07 0.00 0.00 179.97 178.47 3ab4 n ASP 145 N -3.93 7.44 -4.13 7.04 2.03 -1.26 -4.84 116.55 118.90 3ab4 n ASP 145 Ca -0.09 -3.02 -0.13 0.00 0.52 0.00 0.00 54.79 52.07 3ab4 n ASP 145 Cb 0.79 -1.36 -0.11 0.00 -0.72 0.00 0.00 41.12 39.72 3ab4 n ASP 145 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3ab4 s VAL 146 N -0.80 0.72 -0.20 5.18 -7.23 -1.25 -5.14 120.40 111.67 3ab4 s VAL 146 Ca 0.59 -1.46 -0.01 0.00 -1.81 0.00 0.00 61.98 59.29 3ab4 s VAL 146 Cb 0.25 -1.11 0.01 0.00 0.56 0.00 0.00 36.38 36.10 3ab4 s VAL 146 CO -0.12 -0.54 -0.13 -0.89 -0.31 0.00 0.00 175.10 173.11 3ab4 s THR 147 N -2.22 2.58 0.23 5.32 2.01 -1.26 -5.10 115.64 117.21 3ab4 s THR 147 Ca 0.00 -0.83 0.05 0.00 0.31 0.00 0.00 61.69 61.22 3ab4 s THR 147 Cb -0.04 -2.16 -0.03 0.00 0.01 0.00 0.00 72.50 70.28 3ab4 s THR 147 CO -0.01 0.44 0.34 0.42 -0.69 0.00 0.00 174.62 175.12 3ab4 s THR 148 N 1.35 5.19 -0.03 -0.82 -4.23 -1.26 -5.11 115.64 110.72 3ab4 s THR 148 Ca 0.04 -1.00 -0.01 0.00 -1.18 0.00 0.00 61.69 59.53 3ab4 s THR 148 Cb -0.14 -3.80 0.02 0.00 1.34 0.00 0.00 72.50 69.91 3ab4 s THR 148 CO -0.09 -0.31 0.06 -0.76 -0.54 0.00 0.00 174.62 172.99 3ab4 s LEU 149 N -3.90 1.36 0.00 4.79 1.02 -1.26 -5.12 118.68 115.57 3ab4 s LEU 149 Ca 0.34 0.12 0.00 0.00 0.02 0.00 0.00 54.13 54.61 3ab4 s LEU 149 Cb -0.09 0.14 0.00 0.00 0.02 0.00 0.00 46.19 46.26 3ab4 s LEU 149 CO 0.29 -0.08 0.00 0.61 0.02 0.00 0.00 176.35 177.19 3ab4 n GLY 150 N 3.63 -1.96 3.74 -3.19 0.00 -1.26 -4.86 105.19 101.30 3ab4 n GLY 150 Ca -0.20 -1.35 -0.40 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.83 4.46 0.34 1.61 3.52 -1.26 -5.03 118.95 121.75 3ab4 s ARG 151 Ca 0.00 0.99 -0.29 0.00 -0.13 0.00 0.00 55.73 56.30 3ab4 s ARG 151 Cb 0.00 -3.37 -0.10 0.00 -1.56 0.00 0.00 34.95 29.91 3ab4 s ARG 151 CO 0.00 0.26 1.36 0.20 -0.81 0.00 0.00 175.30 176.31 3ab4 s GLY 152 N 0.05 2.94 0.33 8.12 0.00 -1.26 -5.04 107.32 112.46 3ab4 s GLY 152 Ca 0.37 1.34 0.04 0.00 0.00 0.00 0.00 44.72 46.47 3ab4 s GLY 152 CO 0.21 2.02 0.31 0.61 0.00 0.00 0.00 173.10 176.25 3ab4 n GLY 153 N 0.82 2.61 0.26 0.20 0.00 -1.26 -4.98 105.19 102.83 3ab4 n GLY 153 Ca 0.01 -2.23 -0.10 0.00 0.00 0.00 0.00 46.02 43.70 3ab4 n GLY 153 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3ab4 h SER 154 N 0.29 0.86 -0.18 1.61 0.02 -1.96 -0.84 113.55 113.35 3ab4 h SER 154 Ca -0.19 -0.32 0.05 0.00 -0.84 0.00 0.00 61.79 60.49 3ab4 h SER 154 Cb 0.74 -0.23 -0.06 0.00 0.14 0.00 0.00 62.40 62.99 3ab4 h SER 154 CO 0.29 0.97 -0.21 0.44 -1.14 0.00 0.00 176.83 177.18 3ab4 h ASP 155 N 0.73 -0.67 -0.40 3.07 3.32 -1.97 0.29 116.42 120.79 3ab4 h ASP 155 Ca 0.13 0.12 -0.11 0.00 0.02 0.00 0.00 57.03 57.20 3ab4 h ASP 155 Cb 0.54 0.31 -0.02 0.00 0.22 0.00 0.00 39.33 40.39 3ab4 h ASP 155 CO 0.03 -0.26 -0.13 0.71 -1.72 0.00 0.00 179.24 177.87 3ab4 h THR 156 N -0.24 1.26 -0.07 0.35 1.35 -1.86 -0.63 112.91 113.08 3ab4 h THR 156 Ca 0.12 -1.24 0.01 0.00 -0.55 0.00 0.00 66.41 64.75 3ab4 h THR 156 Cb 0.42 1.05 -0.01 0.00 -1.73 0.00 0.00 68.15 67.88 3ab4 h THR 156 CO -0.32 0.43 -0.01 0.74 -0.25 0.00 0.00 175.52 176.11 3ab4 h THR 157 N 0.77 0.94 -0.78 6.82 2.02 -0.81 0.73 112.91 122.61 3ab4 h THR 157 Ca 0.12 -0.01 0.01 0.00 0.77 0.00 0.00 66.41 67.30 3ab4 h THR 157 Cb 0.65 0.92 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 3ab4 h THR 157 CO 0.05 0.00 0.51 0.00 0.37 0.00 0.00 175.52 176.45 3ab4 h ALA 158 N 1.06 0.99 -0.33 6.16 0.00 0.12 -1.15 119.26 126.11 3ab4 h ALA 158 Ca 0.03 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 3ab4 h ALA 158 Cb 0.04 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3ab4 h ALA 158 CO -0.06 0.40 -0.23 0.28 0.00 0.00 0.00 179.25 179.63 3ab4 h VAL 159 N 1.05 1.29 -0.77 0.00 2.07 -1.02 -1.54 116.25 117.33 3ab4 h VAL 159 Ca 0.29 -1.38 0.04 0.00 0.82 0.00 0.00 66.70 66.47 3ab4 h VAL 159 Cb -0.12 1.46 -0.05 0.00 -1.52 0.00 0.00 31.29 31.06 3ab4 h VAL 159 CO -0.06 0.45 0.48 0.00 0.02 0.00 0.00 177.57 178.45 3ab4 h ALA 160 N 0.75 1.03 0.00 1.67 0.00 -0.67 0.39 119.26 122.44 3ab4 h ALA 160 Ca 0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3ab4 h ALA 160 Cb 0.79 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3ab4 h ALA 160 CO 0.06 0.25 -0.01 -0.07 0.00 0.00 0.00 179.25 179.48 3ab4 h LEU 161 N 0.91 0.00 0.01 0.00 -0.00 -1.08 -1.79 115.31 113.36 3ab4 h LEU 161 Ca 0.32 0.00 -0.24 0.00 -0.00 0.00 0.00 57.88 57.96 3ab4 h LEU 161 Cb 0.09 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.71 3ab4 h LEU 161 CO -0.14 0.01 -1.24 0.00 -0.00 0.00 0.00 178.44 177.07 3ab4 h ALA 162 N 1.99 0.48 -1.20 1.53 0.00 -0.82 -3.39 119.26 117.84 3ab4 h ALA 162 Ca -0.00 -1.09 0.00 0.00 0.00 0.00 0.00 54.91 53.82 3ab4 h ALA 162 Cb 0.77 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3ab4 h ALA 162 CO 0.00 1.35 0.00 0.00 0.00 0.00 0.00 179.25 180.60 3ab4 n ALA 163 N -2.43 -0.29 -1.77 0.00 0.00 0.09 -1.16 120.51 114.95 3ab4 n ALA 163 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.98 3ab4 n ALA 163 Cb 0.98 0.01 -0.01 0.00 0.00 0.00 0.00 19.45 20.43 3ab4 n ALA 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ab4 s ALA 164 N -2.64 3.48 0.00 0.00 0.00 -0.73 -1.98 121.76 119.89 3ab4 s ALA 164 Ca 0.00 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.34 3ab4 s ALA 164 Cb 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.59 3ab4 s ALA 164 CO 0.00 -0.83 0.00 1.28 0.00 0.00 0.00 175.76 176.21 3ab4 n LEU 165 N 0.55 0.00 -3.82 0.00 4.32 -1.26 -4.49 117.00 112.29 3ab4 n LEU 165 Ca 0.01 0.00 -0.28 0.00 -0.02 0.00 0.00 56.01 55.72 3ab4 n LEU 165 Cb 0.41 0.00 0.04 0.00 -1.62 0.00 0.00 43.42 42.25 3ab4 n LEU 165 CO 0.60 0.00 0.10 0.59 -1.22 0.00 0.00 177.39 177.47 3ab4 n ASN 166 N 0.02 -4.43 -4.61 -1.43 3.02 -0.84 -4.91 115.26 102.08 3ab4 n ASN 166 Ca 0.00 -0.74 -0.37 0.00 -0.03 0.00 0.00 54.58 53.44 3ab4 n ASN 166 Cb 0.00 -4.13 0.07 0.00 -0.61 0.00 0.00 39.78 35.11 3ab4 n ASN 166 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ab4 n ALA 167 N -4.67 -0.05 0.16 5.41 0.00 -0.31 -4.91 120.51 116.14 3ab4 n ALA 167 Ca -0.02 -0.10 0.05 0.00 0.00 0.00 0.00 53.44 53.37 3ab4 n ALA 167 Cb 0.56 -2.11 0.07 0.00 0.00 0.00 0.00 19.45 17.97 3ab4 n ALA 167 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3ab4 h ASP 168 N 0.09 0.00 -3.87 0.00 5.19 -1.19 -3.46 116.42 113.19 3ab4 h ASP 168 Ca -0.48 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.93 3ab4 h ASP 168 Cb 1.35 0.00 -0.23 0.00 0.18 0.00 0.00 39.33 40.63 3ab4 h ASP 168 CO 0.49 0.37 0.28 0.68 -3.12 0.00 0.00 179.24 177.94 3ab4 s VAL 169 N -3.04 0.00 -0.48 -1.35 -7.23 -1.24 -4.75 120.40 102.30 3ab4 s VAL 169 Ca 0.05 0.00 -0.11 0.00 -1.81 0.00 0.00 61.98 60.10 3ab4 s VAL 169 Cb 0.07 -1.00 0.11 0.00 0.56 0.00 0.00 36.38 36.12 3ab4 s VAL 169 CO 0.72 0.00 0.37 0.00 -0.31 0.00 0.00 175.10 175.89 3ab4 s GLU 171 N 1.45 4.52 -0.26 0.00 2.02 0.79 -1.67 118.70 125.55 3ab4 s GLU 171 Ca 0.05 1.24 -0.06 0.00 0.02 0.00 0.00 54.97 56.21 3ab4 s GLU 171 Cb -0.27 -3.45 -0.01 0.00 0.10 0.00 0.00 34.13 30.50 3ab4 s GLU 171 CO 0.01 0.00 0.05 0.42 0.02 0.00 0.00 175.26 175.76 3ab4 s ILE 172 N 0.89 3.99 -0.15 -1.63 1.09 0.18 -0.88 121.20 124.68 3ab4 s ILE 172 Ca 0.47 -0.41 -0.05 0.00 -1.10 0.00 0.00 60.65 59.56 3ab4 s ILE 172 Cb -0.20 -2.92 -0.03 0.00 -1.06 0.00 0.00 42.46 38.25 3ab4 s ILE 172 CO 0.25 0.27 0.00 -0.31 -0.10 0.00 0.00 174.94 175.05 3ab4 s TYR 173 N 1.55 3.13 0.00 3.97 2.02 0.11 -1.87 117.35 126.26 3ab4 s TYR 173 Ca 0.05 -0.10 0.00 0.00 -0.37 0.00 0.00 57.07 56.65 3ab4 s TYR 173 Cb -0.16 -1.98 0.00 0.00 -0.40 0.00 0.00 41.96 39.43 3ab4 s TYR 173 CO 0.02 0.11 0.00 0.45 -1.57 0.00 0.00 175.55 174.55 3ab4 n SER 174 N 3.33 0.00 0.08 2.29 2.88 -1.00 -1.97 113.62 119.23 3ab4 n SER 174 Ca -0.17 -0.94 0.13 0.00 -1.33 0.00 0.00 58.87 56.56 3ab4 n SER 174 Cb 0.53 0.00 0.33 0.00 -0.75 0.00 0.00 64.21 64.32 3ab4 n SER 174 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3ab4 n ASP 175 N -2.02 0.72 -4.71 -3.46 5.75 -1.26 -0.63 116.55 110.93 3ab4 n ASP 175 Ca 0.00 0.38 -0.42 0.00 -0.01 0.00 0.00 54.79 54.74 3ab4 n ASP 175 Cb 0.00 -0.41 -0.03 0.00 -1.03 0.00 0.00 41.12 39.65 3ab4 n ASP 175 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3ab4 s VAL 176 N -3.11 3.86 -1.69 2.12 1.01 -1.26 -4.86 120.40 116.46 3ab4 s VAL 176 Ca 0.09 1.35 0.21 0.00 0.00 0.00 0.00 61.98 63.63 3ab4 s VAL 176 Cb 0.13 -3.86 0.68 0.00 0.00 0.00 0.00 36.38 33.33 3ab4 s VAL 176 CO 0.64 0.11 1.58 -0.90 0.00 0.00 0.00 175.10 176.53 3ab4 n ASP 177 N 3.85 4.27 0.00 3.32 5.75 -1.26 -3.40 116.55 129.07 3ab4 n ASP 177 Ca 0.09 -2.15 0.00 0.00 -0.01 0.00 0.00 54.79 52.72 3ab4 n ASP 177 Cb 0.45 -0.53 0.00 0.00 -1.03 0.00 0.00 41.12 40.02 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 1.49 1.17 3.60 6.12 0.00 -1.25 -4.28 105.19 112.04 3ab4 n GLY 178 Ca 0.25 -1.52 -0.34 0.00 0.00 0.00 0.00 46.02 44.41 3ab4 n GLY 178 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ab4 s VAL 179 N -1.74 4.22 0.43 1.61 -7.23 -1.26 -4.99 120.40 111.44 3ab4 s VAL 179 Ca 0.00 -0.26 0.08 0.00 -1.81 0.00 0.00 61.98 59.99 3ab4 s VAL 179 Cb 0.00 -2.82 -0.01 0.00 0.56 0.00 0.00 36.38 34.11 3ab4 s VAL 179 CO 0.00 0.54 0.40 -0.31 -0.31 0.00 0.00 175.10 175.42 3ab4 s TYR 180 N -0.20 2.58 0.05 2.82 2.02 -1.26 -0.76 117.35 122.60 3ab4 s TYR 180 Ca 0.05 -0.53 0.16 0.00 -0.37 0.00 0.00 57.07 56.39 3ab4 s TYR 180 Cb -0.13 -2.16 0.38 0.00 -0.40 0.00 0.00 41.96 39.65 3ab4 s TYR 180 CO 0.02 -0.20 1.59 1.79 -1.57 0.00 0.00 175.55 177.18 3ab4 h THR 181 N 0.96 0.96 -3.00 -0.71 1.35 -1.23 -3.45 112.91 107.78 3ab4 h THR 181 Ca -0.40 -1.95 0.02 0.00 -0.55 0.00 0.00 66.41 63.53 3ab4 h THR 181 Cb 1.27 2.19 -0.09 0.00 -1.73 0.00 0.00 68.15 69.79 3ab4 h THR 181 CO 0.56 0.47 0.22 0.00 -0.25 0.00 0.00 175.52 176.52 3ab4 s ALA 182 N -3.30 -1.42 -0.19 6.62 0.00 -1.26 0.39 121.76 122.60 3ab4 s ALA 182 Ca 0.02 0.12 -0.29 0.00 0.00 0.00 0.00 51.96 51.81 3ab4 s ALA 182 Cb 0.10 0.87 -0.05 0.00 0.00 0.00 0.00 23.12 24.04 3ab4 s ALA 182 CO 0.72 -0.89 2.05 0.34 0.00 0.00 0.00 175.76 177.98 3ab4 s ASP 183 N -2.83 5.80 0.59 0.00 3.68 -1.26 -4.68 116.67 117.96 3ab4 s ASP 183 Ca 0.06 1.93 0.37 0.00 2.13 0.00 0.00 52.55 57.04 3ab4 s ASP 183 Cb -0.03 -2.52 1.69 0.00 -1.45 0.00 0.00 42.92 40.61 3ab4 s ASP 183 CO -0.04 -1.68 2.10 1.55 0.13 0.00 0.00 175.17 177.23 3ab4 h PRO 184 N 13.48 0.00 -0.10 4.34 0.13 -1.92 0.11 132.00 148.03 3ab4 h PRO 184 Ca -0.41 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.68 3ab4 h PRO 184 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 3ab4 h PRO 184 CO 0.97 0.00 -0.12 0.00 -0.23 0.00 0.00 178.00 178.62 3ab4 h ARG 185 N 0.00 0.16 0.04 0.86 3.08 -1.98 -3.20 114.38 113.33 3ab4 h ARG 185 Ca -0.00 -0.03 -0.32 0.00 0.07 0.00 0.00 59.98 59.70 3ab4 h ARG 185 Cb 0.36 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.35 3ab4 h ARG 185 CO 0.00 0.29 -1.78 -0.89 -1.07 0.00 0.00 179.97 176.52 3ab4 n ILE 186 N -4.31 1.61 -3.54 2.04 2.08 -0.41 -4.84 119.36 111.99 3ab4 n ILE 186 Ca -0.01 -0.32 -0.41 0.00 0.56 0.00 0.00 62.75 62.56 3ab4 n ILE 186 Cb 0.24 -1.87 -0.08 0.00 -0.75 0.00 0.00 39.64 37.18 3ab4 n ILE 186 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 3ab4 s VAL 187 N -2.46 4.29 0.53 1.39 1.01 0.23 -4.93 120.40 120.47 3ab4 s VAL 187 Ca -0.29 -1.83 0.25 0.00 0.00 0.00 0.00 61.98 60.10 3ab4 s VAL 187 Cb 0.08 -3.82 0.38 0.00 0.00 0.00 0.00 36.38 33.02 3ab4 s VAL 187 CO 0.63 -0.79 2.01 1.55 0.00 0.00 0.00 175.10 178.50 3ab4 h PRO 188 N 8.41 0.00 -0.21 2.72 0.13 -1.87 0.85 132.00 142.02 3ab4 h PRO 188 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 3ab4 h PRO 188 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3ab4 h PRO 188 CO 0.86 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.72 3ab4 n ASN 189 N -4.36 1.25 -4.73 1.44 3.02 -1.26 -4.96 115.26 105.65 3ab4 n ASN 189 Ca 0.08 -1.92 -0.42 0.00 -0.03 0.00 0.00 54.58 52.29 3ab4 n ASN 189 Cb 0.55 -0.14 -0.01 0.00 -0.61 0.00 0.00 39.78 39.57 3ab4 n ASN 189 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ab4 n ALA 190 N 0.15 2.10 -2.66 5.41 0.00 0.29 -4.48 120.51 121.32 3ab4 n ALA 190 Ca 0.10 0.37 -0.19 0.00 0.00 0.00 0.00 53.44 53.72 3ab4 n ALA 190 Cb 0.21 -2.40 -0.14 0.00 0.00 0.00 0.00 19.45 17.12 3ab4 n ALA 190 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3ab4 s GLN 191 N -0.96 0.83 0.16 0.00 0.74 -1.26 -4.92 119.66 114.25 3ab4 s GLN 191 Ca 0.62 -0.49 -0.30 0.00 0.05 0.00 0.00 55.36 55.24 3ab4 s GLN 191 Cb -0.53 -0.80 -0.08 0.00 1.10 0.00 0.00 33.01 32.70 3ab4 s GLN 191 CO 0.53 0.21 1.29 0.21 -0.55 0.00 0.00 175.29 176.98 3ab4 s LYS 192 N -0.55 4.40 0.27 1.67 2.20 -1.26 -0.82 119.74 125.65 3ab4 s LYS 192 Ca 0.02 1.98 -0.30 0.00 -0.36 0.00 0.00 55.97 57.32 3ab4 s LYS 192 Cb -0.05 -3.24 -0.09 0.00 -1.51 0.00 0.00 37.83 32.94 3ab4 s LYS 192 CO 0.00 -0.26 1.05 -0.51 -0.36 0.00 0.00 175.35 175.27 3ab4 s LEU 193 N 0.29 4.58 -0.06 5.43 2.01 0.06 -4.90 118.68 126.09 3ab4 s LEU 193 Ca 0.58 2.17 -0.16 0.00 0.01 0.00 0.00 54.13 56.73 3ab4 s LEU 193 Cb -0.35 -3.62 -0.30 0.00 0.01 0.00 0.00 46.19 41.93 3ab4 s LEU 193 CO 0.35 -0.05 0.71 -0.08 1.01 0.00 0.00 176.35 178.28 3ab4 h GLU 194 N 3.95 0.33 -3.02 1.70 4.57 -1.88 -3.38 114.58 116.85 3ab4 h GLU 194 Ca -0.46 -0.56 -0.10 0.00 -1.18 0.00 0.00 59.36 57.06 3ab4 h GLU 194 Cb 1.21 0.21 -0.18 0.00 -0.16 0.00 0.00 28.75 29.83 3ab4 h GLU 194 CO 0.67 1.27 -0.19 0.21 -1.18 0.00 0.00 179.01 179.79 3ab4 s LYS 195 N -2.51 0.80 0.14 1.92 2.20 -1.26 -1.38 119.74 119.65 3ab4 s LYS 195 Ca -0.16 -0.28 -0.20 0.00 -0.36 0.00 0.00 55.97 54.97 3ab4 s LYS 195 Cb 0.04 0.35 0.05 0.00 -1.51 0.00 0.00 37.83 36.76 3ab4 s LYS 195 CO 0.82 -0.25 0.50 -0.48 -0.36 0.00 0.00 175.35 175.58 3ab4 s LEU 196 N -1.67 -0.06 0.74 5.43 2.34 -0.70 -4.94 118.68 119.81 3ab4 s LEU 196 Ca -0.09 -0.15 -0.11 0.00 0.06 0.00 0.00 54.13 53.84 3ab4 s LEU 196 Cb -0.03 2.19 0.03 0.00 -0.56 0.00 0.00 46.19 47.83 3ab4 s LEU 196 CO 0.01 -0.90 1.07 -0.94 -1.06 0.00 0.00 176.35 174.54 3ab4 s SER 197 N -2.73 4.95 0.13 1.48 1.04 -1.26 -2.20 113.70 115.11 3ab4 s SER 197 Ca 0.02 1.65 -0.22 0.00 0.48 0.00 0.00 55.95 57.87 3ab4 s SER 197 Cb 0.00 -2.45 -0.04 0.00 0.10 0.00 0.00 66.02 63.64 3ab4 s SER 197 CO -0.12 -1.72 1.68 -0.26 0.98 0.00 0.00 173.24 173.80 3ab4 h PHE 198 N -0.91 -0.30 -0.02 5.02 0.04 -1.63 -1.21 116.94 117.92 3ab4 h PHE 198 Ca -0.44 0.02 -0.10 0.00 2.80 0.00 0.00 57.97 60.24 3ab4 h PHE 198 Cb 1.22 0.15 -0.01 0.00 2.20 0.00 0.00 35.95 39.51 3ab4 h PHE 198 CO 0.59 -0.18 -0.47 1.05 -0.60 0.00 0.00 178.31 178.70 3ab4 h GLU 199 N -0.15 0.06 -0.79 1.51 9.09 -1.93 0.97 114.58 123.33 3ab4 h GLU 199 Ca 0.08 -0.03 -0.00 0.00 0.05 0.00 0.00 59.36 59.46 3ab4 h GLU 199 Cb 0.27 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.33 3ab4 h GLU 199 CO -0.20 0.51 0.48 0.93 0.05 0.00 0.00 179.01 180.79 3ab4 h GLU 200 N 0.05 1.06 -0.18 1.06 5.08 -1.87 -1.30 114.58 118.47 3ab4 h GLU 200 Ca -0.00 -0.09 -0.13 0.00 -1.00 0.00 0.00 59.36 58.14 3ab4 h GLU 200 Cb 0.85 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3ab4 h GLU 200 CO 0.06 0.73 -0.41 1.98 -1.00 0.00 0.00 179.01 180.38 3ab4 h MET 201 N 1.08 0.60 -0.61 2.33 4.05 0.13 -2.80 114.93 119.70 3ab4 h MET 201 Ca 0.28 -0.40 0.10 0.00 -0.28 0.00 0.00 59.70 59.41 3ab4 h MET 201 Cb -0.06 0.06 -0.08 0.00 -0.80 0.00 0.00 31.60 30.72 3ab4 h MET 201 CO -0.06 1.02 0.19 -0.07 0.23 0.00 0.00 176.91 178.22 3ab4 h LEU 202 N 0.27 0.14 0.06 3.39 -0.00 -0.70 -1.06 115.31 117.40 3ab4 h LEU 202 Ca 0.00 0.09 -0.00 0.00 -0.00 0.00 0.00 57.88 57.97 3ab4 h LEU 202 Cb 1.01 0.10 0.00 0.00 -0.00 0.00 0.00 40.66 41.77 3ab4 h LEU 202 CO 0.09 0.08 -0.03 -0.33 -0.00 0.00 0.00 178.44 178.25 3ab4 h GLU 203 N 0.35 -0.08 -0.34 1.13 4.39 -1.20 0.26 114.58 119.09 3ab4 h GLU 203 Ca 0.32 0.01 0.07 0.00 0.34 0.00 0.00 59.36 60.09 3ab4 h GLU 203 Cb 0.43 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 29.03 3ab4 h GLU 203 CO -0.35 0.14 -0.12 -0.07 -1.16 0.00 0.00 179.01 177.44 3ab4 h LEU 204 N -0.29 -0.43 -1.99 1.33 3.38 -1.44 -1.40 115.31 114.47 3ab4 h LEU 204 Ca -0.01 0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.10 3ab4 h LEU 204 Cb 0.25 0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 3ab4 h LEU 204 CO 0.01 -0.15 0.07 0.00 0.09 0.00 0.00 178.44 178.46 3ab4 h ALA 205 N 1.25 2.08 0.00 1.53 0.00 -0.74 -2.32 119.26 121.05 3ab4 h ALA 205 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3ab4 h ALA 205 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3ab4 h ALA 205 CO -0.38 -0.10 0.00 0.00 0.00 0.00 0.00 179.25 178.77 3ab4 h ALA 206 N 1.95 1.00 0.00 0.00 0.00 0.64 -3.35 119.26 119.51 3ab4 h ALA 206 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 3ab4 h ALA 206 Cb 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 17.79 17.69 3ab4 h ALA 206 CO -0.00 0.00 -0.86 0.28 0.00 0.00 0.00 179.25 178.66 3ab4 n VAL 207 N -2.40 0.66 0.00 0.00 0.31 -0.89 -5.00 118.33 111.01 3ab4 n VAL 207 Ca 0.04 -1.65 0.00 0.00 -0.01 0.00 0.00 64.34 62.72 3ab4 n VAL 207 Cb 0.37 0.62 0.00 0.00 -0.91 0.00 0.00 33.84 33.92 3ab4 n VAL 207 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ab4 n GLY 208 N 0.00 2.52 3.73 2.92 0.00 -1.14 -4.38 105.19 108.85 3ab4 n GLY 208 Ca 0.10 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 3ab4 n GLY 208 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ab4 n SER 209 N 0.00 3.98 -0.21 1.61 7.64 -1.07 -4.91 113.62 120.65 3ab4 n SER 209 Ca 0.00 1.10 0.03 0.00 1.01 0.00 0.00 58.87 61.02 3ab4 n SER 209 Cb 0.00 -1.59 0.07 0.00 -1.01 0.00 0.00 64.21 61.68 3ab4 n SER 209 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 3ab4 n LYS 210 N 3.11 2.70 0.35 1.43 2.85 -1.26 -4.37 118.16 122.97 3ab4 n LYS 210 Ca 0.12 -1.88 -0.17 0.00 -1.05 0.00 0.00 58.31 55.33 3ab4 n LYS 210 Cb 0.36 -1.19 -0.09 0.00 -0.65 0.00 0.00 35.03 33.46 3ab4 n LYS 210 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 177.40 178.17 3ab4 h ILE 211 N 0.57 0.36 -3.26 0.58 2.04 -1.96 -3.43 117.51 112.41 3ab4 h ILE 211 Ca 0.00 -0.06 -0.64 0.00 1.00 0.00 0.00 64.86 65.15 3ab4 h ILE 211 Cb 0.69 0.39 -0.11 0.00 -0.74 0.00 0.00 36.82 37.05 3ab4 h ILE 211 CO 0.01 0.01 -0.64 -0.76 0.00 0.00 0.00 178.15 176.77 3ab4 s LEU 212 N -9.99 3.56 0.18 1.44 2.01 -1.26 -5.10 118.68 109.53 3ab4 s LEU 212 Ca -0.17 -0.14 -0.30 0.00 0.01 0.00 0.00 54.13 53.53 3ab4 s LEU 212 Cb 0.03 -2.28 -0.08 0.00 0.01 0.00 0.00 46.19 43.88 3ab4 s LEU 212 CO 0.60 0.17 1.06 0.68 1.01 0.00 0.00 176.35 179.87 3ab4 s VAL 213 N -1.36 3.95 0.19 -1.59 -7.23 -1.26 -4.96 120.40 108.13 3ab4 s VAL 213 Ca 0.27 1.73 -0.14 0.00 -1.81 0.00 0.00 61.98 62.03 3ab4 s VAL 213 Cb -0.12 -4.10 0.12 0.00 0.56 0.00 0.00 36.38 32.84 3ab4 s VAL 213 CO 0.20 0.32 1.69 -0.07 -0.31 0.00 0.00 175.10 176.92 3ab4 h LEU 214 N 4.96 -0.15 -1.13 1.32 3.38 -1.97 -1.97 115.31 119.76 3ab4 h LEU 214 Ca -0.44 0.11 0.05 0.00 0.09 0.00 0.00 57.88 57.68 3ab4 h LEU 214 Cb 1.21 0.18 -0.06 0.00 0.09 0.00 0.00 40.66 42.09 3ab4 h LEU 214 CO 0.71 -0.04 0.60 -0.09 0.09 0.00 0.00 178.44 179.71 3ab4 h ARG 215 N 0.15 1.07 -0.25 1.13 1.12 -1.99 -1.22 114.38 114.38 3ab4 h ARG 215 Ca 0.25 -0.06 -0.13 0.00 -1.11 0.00 0.00 59.98 58.93 3ab4 h ARG 215 Cb 0.36 -0.24 -0.01 0.00 -0.01 0.00 0.00 29.97 30.07 3ab4 h ARG 215 CO -0.38 0.71 -0.37 0.66 -3.11 0.00 0.00 179.97 177.47 3ab4 h SER 216 N 1.10 0.58 0.01 -3.80 4.64 -1.73 -1.02 113.55 113.34 3ab4 h SER 216 Ca 0.38 -0.25 -0.18 0.00 -0.47 0.00 0.00 61.79 61.27 3ab4 h SER 216 Cb 0.10 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.02 3ab4 h SER 216 CO -0.13 0.90 -0.64 0.58 -0.87 0.00 0.00 176.83 176.68 3ab4 h VAL 217 N 0.47 1.32 -0.70 0.95 2.07 -1.18 -0.80 116.25 118.38 3ab4 h VAL 217 Ca 0.05 -1.91 0.02 0.00 0.82 0.00 0.00 66.70 65.68 3ab4 h VAL 217 Cb 0.86 1.87 -0.04 0.00 -1.52 0.00 0.00 31.29 32.46 3ab4 h VAL 217 CO 0.07 0.59 0.45 -0.08 0.02 0.00 0.00 177.57 178.62 3ab4 h GLU 218 N 0.45 0.86 0.54 1.57 4.57 -0.99 -1.39 114.58 120.19 3ab4 h GLU 218 Ca -0.01 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.09 3ab4 h GLU 218 Cb 1.21 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 29.61 3ab4 h GLU 218 CO 0.12 0.57 -0.30 -0.92 -1.18 0.00 0.00 179.01 177.30 3ab4 h TYR 219 N 0.89 -0.79 -0.99 0.92 5.03 -1.02 -1.52 116.97 119.49 3ab4 h TYR 219 Ca 0.27 -0.01 0.31 0.00 2.58 0.00 0.00 58.73 61.88 3ab4 h TYR 219 Cb -0.03 0.27 -0.15 0.00 1.55 0.00 0.00 36.73 38.38 3ab4 h TYR 219 CO -0.04 -0.47 0.54 0.00 -1.32 0.00 0.00 178.16 176.88 3ab4 h ALA 220 N -0.35 1.89 -0.16 1.82 0.00 -0.88 -0.32 119.26 121.26 3ab4 h ALA 220 Ca -0.07 0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 3ab4 h ALA 220 Cb 0.62 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 3ab4 h ALA 220 CO 0.09 -0.54 -0.65 -0.09 0.00 0.00 0.00 179.25 178.05 3ab4 h ARG 221 N 0.34 0.60 0.00 0.00 2.43 -0.70 0.26 114.38 117.31 3ab4 h ARG 221 Ca 0.71 -0.44 -0.04 0.00 -0.81 0.00 0.00 59.98 59.40 3ab4 h ARG 221 Cb 1.60 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 31.21 3ab4 h ARG 221 CO -0.60 1.06 -0.21 0.00 -1.51 0.00 0.00 179.97 178.70 3ab4 h ALA 222 N 0.84 1.59 -0.06 2.80 0.00 -0.05 -3.11 119.26 121.27 3ab4 h ALA 222 Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3ab4 h ALA 222 Cb 1.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3ab4 h ALA 222 CO 0.12 0.26 0.00 1.19 0.00 0.00 0.00 179.25 180.83 3ab4 n PHE 223 N -4.20 0.10 -3.77 0.00 3.01 -1.07 -5.01 117.46 106.53 3ab4 n PHE 223 Ca -0.02 -0.62 -0.25 0.00 1.01 0.00 0.00 57.45 57.58 3ab4 n PHE 223 Cb 0.28 -0.08 0.02 0.00 -0.01 0.00 0.00 39.48 39.68 3ab4 n PHE 223 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 3ab4 n ASN 224 N -0.55 -1.88 -4.51 4.37 4.05 0.18 -4.94 115.26 111.98 3ab4 n ASN 224 Ca 0.06 -0.92 -0.43 0.00 0.45 0.00 0.00 54.58 53.73 3ab4 n ASN 224 Cb 0.38 -3.61 -0.07 0.00 1.23 0.00 0.00 39.78 37.71 3ab4 n ASN 224 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 3ab4 s VAL 225 N -3.72 4.81 0.28 3.44 1.01 0.68 -4.99 120.40 121.92 3ab4 s VAL 225 Ca 0.11 0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.83 3ab4 s VAL 225 Cb -0.04 -4.23 -0.11 0.00 0.00 0.00 0.00 36.38 32.00 3ab4 s VAL 225 CO 0.85 -0.65 1.54 -2.84 0.00 0.00 0.00 175.10 174.00 3ab4 s PRO 226 N 2.84 4.17 0.09 2.72 0.02 -1.26 -4.75 135.00 138.83 3ab4 s PRO 226 Ca 0.22 2.48 0.05 0.00 0.02 0.00 0.00 61.00 63.77 3ab4 s PRO 226 Cb -0.15 -3.05 -0.04 0.00 0.02 0.00 0.00 34.50 31.28 3ab4 s PRO 226 CO 0.18 -0.56 -0.01 -0.51 -0.33 0.00 0.00 177.00 175.78 3ab4 s LEU 227 N -0.45 3.45 -0.10 -5.54 1.43 0.05 -1.15 118.68 116.37 3ab4 s LEU 227 Ca 0.62 -0.18 -0.01 0.00 -1.03 0.00 0.00 54.13 53.53 3ab4 s LEU 227 Cb -0.46 -2.17 0.03 0.00 0.03 0.00 0.00 46.19 43.62 3ab4 s LEU 227 CO 0.46 0.18 -0.05 -0.60 0.23 0.00 0.00 176.35 176.57 3ab4 s ARG 228 N -2.28 1.17 -0.28 1.70 3.52 -0.67 -0.70 118.95 121.42 3ab4 s ARG 228 Ca 0.25 -0.12 -0.18 0.00 -0.13 0.00 0.00 55.73 55.56 3ab4 s ARG 228 Cb -0.12 -1.34 -0.02 0.00 -1.56 0.00 0.00 34.95 31.91 3ab4 s ARG 228 CO 0.18 -0.27 0.51 0.08 -0.81 0.00 0.00 175.30 174.98 3ab4 s VAL 229 N 1.78 5.06 0.04 7.11 1.01 -0.06 0.51 120.40 135.86 3ab4 s VAL 229 Ca 0.04 0.76 -0.00 0.00 0.00 0.00 0.00 61.98 62.78 3ab4 s VAL 229 Cb -0.12 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 3ab4 s VAL 229 CO -0.07 0.03 -0.03 -0.13 0.00 0.00 0.00 175.10 174.90 3ab4 s ARG 230 N 2.32 0.54 0.42 2.72 0.52 -0.78 -1.32 118.95 123.37 3ab4 s ARG 230 Ca 0.20 -1.05 -0.22 0.00 -0.52 0.00 0.00 55.73 54.14 3ab4 s ARG 230 Cb -0.16 0.14 -0.10 0.00 0.52 0.00 0.00 34.95 35.35 3ab4 s ARG 230 CO 0.10 -0.08 0.97 0.45 0.02 0.00 0.00 175.30 176.76 3ab4 s SER 231 N -2.51 6.89 0.00 0.23 0.15 -1.22 -2.38 113.70 114.87 3ab4 s SER 231 Ca 0.01 1.77 0.23 0.00 0.70 0.00 0.00 55.95 58.66 3ab4 s SER 231 Cb 0.03 -2.55 0.77 0.00 -1.71 0.00 0.00 66.02 62.55 3ab4 s SER 231 CO -0.07 -0.39 1.57 -1.54 1.20 0.00 0.00 173.24 174.01 3ab4 n SER 232 N -0.48 1.88 -0.16 5.45 3.41 0.20 -3.99 113.62 119.94 3ab4 n SER 232 Ca 0.06 -1.70 0.01 0.00 -0.26 0.00 0.00 58.87 56.99 3ab4 n SER 232 Cb 0.53 -0.08 0.03 0.00 -0.26 0.00 0.00 64.21 64.43 3ab4 n SER 232 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3ab4 n TYR 233 N 0.46 0.10 -3.92 7.33 4.02 -1.26 -4.92 117.16 118.96 3ab4 n TYR 233 Ca 0.17 -0.41 -0.09 0.00 -0.01 0.00 0.00 57.90 57.55 3ab4 n TYR 233 Cb 0.38 -0.04 -0.07 0.00 -0.02 0.00 0.00 39.34 39.60 3ab4 n TYR 233 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3ab4 s SER 234 N -0.87 0.02 -0.39 7.72 0.01 -1.26 -5.02 113.70 113.92 3ab4 s SER 234 Ca 0.06 -0.80 0.07 0.00 1.31 0.00 0.00 55.95 56.58 3ab4 s SER 234 Cb 0.03 0.44 0.70 0.00 0.21 0.00 0.00 66.02 67.40 3ab4 s SER 234 CO 0.04 -0.89 1.86 0.59 0.41 0.00 0.00 173.24 175.26 3ab4 n ASN 235 N -0.21 4.20 -4.71 2.44 4.13 -1.26 -4.71 115.26 115.14 3ab4 n ASN 235 Ca -0.09 -3.45 -0.42 0.00 1.68 0.00 0.00 54.58 52.30 3ab4 n ASN 235 Cb 0.63 -0.80 -0.03 0.00 -1.54 0.00 0.00 39.78 38.04 3ab4 n ASN 235 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 3ab4 s ASP 236 N -1.22 6.91 0.54 6.41 -0.00 -1.26 -4.92 116.67 123.14 3ab4 s ASP 236 Ca 0.56 2.15 0.30 0.00 -0.00 0.00 0.00 52.55 55.56 3ab4 s ASP 236 Cb 0.46 -2.58 1.56 0.00 -0.00 0.00 0.00 42.92 42.37 3ab4 s ASP 236 CO 0.12 -0.62 2.10 1.55 -0.00 0.00 0.00 175.17 178.33 3ab4 h PRO 237 N 7.13 0.00 0.00 8.23 0.13 -1.93 -3.41 132.00 142.15 3ab4 h PRO 237 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 3ab4 h PRO 237 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3ab4 h PRO 237 CO 0.86 0.09 0.00 0.41 -0.23 0.00 0.00 178.00 179.13 3ab4 n GLY 238 N -0.70 0.55 3.10 1.56 0.00 -1.26 -4.74 105.19 103.69 3ab4 n GLY 238 Ca -0.02 -1.13 -0.25 0.00 0.00 0.00 0.00 46.02 44.62 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 1.32 -0.26 2.61 2.01 -0.44 -4.72 115.64 116.16 3ab4 s THR 239 Ca 0.00 -0.64 -0.13 0.00 0.31 0.00 0.00 61.69 61.23 3ab4 s THR 239 Cb 0.00 -1.15 -0.04 0.00 0.01 0.00 0.00 72.50 71.31 3ab4 s THR 239 CO 0.00 0.39 0.26 -0.22 -0.69 0.00 0.00 174.62 174.36 3ab4 s LEU 240 N 0.19 4.05 -0.38 4.42 2.96 -0.48 -0.88 118.68 128.56 3ab4 s LEU 240 Ca -0.06 0.15 -0.12 0.00 -0.22 0.00 0.00 54.13 53.88 3ab4 s LEU 240 Cb -0.12 -2.25 0.03 0.00 0.50 0.00 0.00 46.19 44.35 3ab4 s LEU 240 CO 0.03 -0.08 0.22 -0.51 -1.32 0.00 0.00 176.35 174.69 3ab4 s ILE 241 N 1.70 4.68 0.02 6.68 2.07 0.12 -1.72 121.20 134.75 3ab4 s ILE 241 Ca 0.11 -0.85 -0.20 0.00 -1.41 0.00 0.00 60.65 58.30 3ab4 s ILE 241 Cb -0.15 -3.62 0.04 0.00 0.13 0.00 0.00 42.46 38.86 3ab4 s ILE 241 CO 0.09 -0.26 0.46 0.00 -1.91 0.00 0.00 174.94 173.32 3ab4 s ALA 242 N 1.57 -1.15 0.04 1.50 0.00 -0.93 -0.77 121.76 122.01 3ab4 s ALA 242 Ca 0.02 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.49 3ab4 s ALA 242 Cb -0.19 0.27 0.00 0.00 0.00 0.00 0.00 23.12 23.20 3ab4 s ALA 242 CO 0.07 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 175.81 3ab4 n GLY 243 N 0.65 -2.86 3.86 0.00 0.00 -1.26 -4.17 105.19 101.41 3ab4 n GLY 243 Ca -0.19 -1.28 -0.34 0.00 0.00 0.00 0.00 46.02 44.21 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 -3.20 6.73 0.57 1.61 0.15 -1.26 -2.14 113.70 116.15 3ab4 s SER 244 Ca 0.00 0.96 0.35 0.00 0.70 0.00 0.00 55.95 57.96 3ab4 s SER 244 Cb 0.00 -2.24 1.60 0.00 -1.71 0.00 0.00 66.02 63.67 3ab4 s SER 244 CO 0.00 0.08 2.08 0.00 1.20 0.00 0.00 173.24 176.60 3ab4 h MET 245 N 3.38 0.00 -0.89 5.44 -0.00 -1.94 -2.33 114.93 118.59 3ab4 h MET 245 Ca -0.48 0.00 0.06 0.00 -0.00 0.00 0.00 59.70 59.27 3ab4 h MET 245 Cb 1.19 0.00 -0.06 0.00 -0.00 0.00 0.00 31.60 32.73 3ab4 h MET 245 CO 0.67 0.03 0.58 0.93 -0.00 0.00 0.00 176.91 179.12 3ab4 h GLU 246 N 0.00 1.01 -0.02 -0.10 4.39 -2.01 -2.19 114.58 115.66 3ab4 h GLU 246 Ca -0.00 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.64 3ab4 h GLU 246 Cb 0.39 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 3ab4 h GLU 246 CO 0.00 0.67 0.00 -0.25 -1.16 0.00 0.00 179.01 178.27 3ab4 n ASP 247 N -4.47 0.86 -4.66 1.42 8.00 -0.88 -4.70 116.55 112.13 3ab4 n ASP 247 Ca 0.13 -1.33 -0.42 0.00 0.71 0.00 0.00 54.79 53.88 3ab4 n ASP 247 Cb 0.17 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.23 3ab4 n ASP 247 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ab4 s ILE 248 N -1.98 4.77 0.27 0.53 1.01 -0.82 -5.03 121.20 119.95 3ab4 s ILE 248 Ca 0.40 1.81 -0.30 0.00 0.00 0.00 0.00 60.65 62.56 3ab4 s ILE 248 Cb 0.20 -4.22 -0.10 0.00 0.01 0.00 0.00 42.46 38.35 3ab4 s ILE 248 CO 0.33 -0.10 1.47 -2.84 0.00 0.00 0.00 174.94 173.80 3ab4 s PRO 249 N 2.81 4.23 0.31 2.79 0.02 -1.26 -4.85 135.00 139.05 3ab4 s PRO 249 Ca 0.40 2.38 0.09 0.00 0.02 0.00 0.00 61.00 63.89 3ab4 s PRO 249 Cb -0.16 -3.08 0.92 0.00 0.02 0.00 0.00 34.50 32.21 3ab4 s PRO 249 CO 0.08 -0.46 1.44 0.28 -0.33 0.00 0.00 177.00 178.02 3ab4 n VAL 250 N 2.04 -0.39 0.23 3.83 0.31 -1.26 -0.33 118.33 122.77 3ab4 n VAL 250 Ca 0.06 1.95 0.12 0.00 -0.01 0.00 0.00 64.34 66.47 3ab4 n VAL 250 Cb 0.40 -2.98 0.41 0.00 -0.91 0.00 0.00 33.84 30.75 3ab4 n VAL 250 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3ab4 h GLU 251 N 0.00 0.00 -0.01 5.55 3.07 -2.01 -3.06 114.58 118.12 3ab4 h GLU 251 Ca 0.65 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.51 3ab4 h GLU 251 Cb 1.52 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.43 3ab4 h GLU 251 CO -0.80 0.11 -0.71 0.39 -1.40 0.00 0.00 179.01 176.60 3ab4 n GLU 252 N -3.19 0.65 -2.45 2.33 1.02 0.56 -4.95 120.64 114.60 3ab4 n GLU 252 Ca 0.02 -0.53 -0.42 0.00 -0.02 0.00 0.00 57.16 56.20 3ab4 n GLU 252 Cb 0.45 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.35 3ab4 n GLU 252 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ab4 s ALA 253 N -2.72 3.39 0.52 0.62 0.00 -1.05 -4.98 121.76 117.54 3ab4 s ALA 253 Ca 0.14 0.78 0.03 0.00 0.00 0.00 0.00 51.96 52.90 3ab4 s ALA 253 Cb 0.17 -3.45 -0.00 0.00 0.00 0.00 0.00 23.12 19.84 3ab4 s ALA 253 CO 0.71 -0.49 0.12 0.54 0.00 0.00 0.00 175.76 176.64 3ab4 s VAL 254 N 1.31 1.34 0.10 0.00 0.11 -1.26 -4.28 120.40 117.72 3ab4 s VAL 254 Ca 0.58 -1.85 -0.12 0.00 -2.93 0.00 0.00 61.98 57.66 3ab4 s VAL 254 Cb -0.28 -2.19 -0.06 0.00 -1.53 0.00 0.00 36.38 32.32 3ab4 s VAL 254 CO 0.28 0.00 0.46 -0.76 -3.33 0.00 0.00 175.10 171.74 3ab4 s LEU 255 N -3.99 4.35 -0.23 2.54 1.43 -1.26 -0.92 118.68 120.60 3ab4 s LEU 255 Ca 0.15 0.91 -0.13 0.00 -1.03 0.00 0.00 54.13 54.03 3ab4 s LEU 255 Cb 0.01 -3.07 -0.10 0.00 0.03 0.00 0.00 46.19 43.06 3ab4 s LEU 255 CO 0.09 0.15 -0.31 0.41 0.23 0.00 0.00 176.35 176.92 3ab4 n THR 256 N 0.91 1.36 -3.77 5.49 -1.04 0.13 -4.92 114.28 112.44 3ab4 n THR 256 Ca -0.07 -0.27 -0.03 0.00 -2.04 0.00 0.00 64.05 61.64 3ab4 n THR 256 Cb 0.52 -1.90 -0.00 0.00 -1.82 0.00 0.00 70.33 67.13 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 -5.35 -0.16 -0.09 3.41 0.00 -0.69 -4.61 107.32 99.84 3ab4 s GLY 257 Ca -0.33 0.06 0.02 0.00 0.00 0.00 0.00 44.72 44.47 3ab4 s GLY 257 CO 0.42 0.63 -0.15 0.14 0.00 0.00 0.00 173.10 174.14 3ab4 s VAL 258 N -2.90 2.95 0.09 1.40 1.01 0.16 -1.00 120.40 122.12 3ab4 s VAL 258 Ca 0.15 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 61.47 3ab4 s VAL 258 Cb -0.01 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 3ab4 s VAL 258 CO 0.03 0.56 -0.18 0.00 0.00 0.00 0.00 175.10 175.50 3ab4 s ALA 259 N -0.16 1.52 -0.01 5.51 0.00 -0.63 -4.27 121.76 123.72 3ab4 s ALA 259 Ca -0.01 -1.13 0.03 0.00 0.00 0.00 0.00 51.96 50.85 3ab4 s ALA 259 Cb -0.13 -0.18 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 3ab4 s ALA 259 CO 0.03 0.27 -0.11 0.95 0.00 0.00 0.00 175.76 176.91 3ab4 s THR 260 N -1.21 0.87 -0.14 0.00 -4.23 -1.26 -0.93 115.64 108.73 3ab4 s THR 260 Ca 0.03 -0.50 -0.02 0.00 -1.18 0.00 0.00 61.69 60.01 3ab4 s THR 260 Cb -0.10 -0.73 0.05 0.00 1.34 0.00 0.00 72.50 73.06 3ab4 s THR 260 CO 0.03 0.22 0.02 -0.62 -0.54 0.00 0.00 174.62 173.74 3ab4 s ASP 261 N -0.31 2.34 -0.27 3.99 -1.08 0.50 -4.70 116.67 117.13 3ab4 s ASP 261 Ca 0.04 -0.50 0.10 0.00 -0.52 0.00 0.00 52.55 51.67 3ab4 s ASP 261 Cb -0.04 -0.53 0.52 0.00 -1.46 0.00 0.00 42.92 41.40 3ab4 s ASP 261 CO -0.00 -0.26 1.47 2.29 0.52 0.00 0.00 175.17 179.19 3ab4 n LYS 262 N 5.09 2.07 0.00 4.34 2.85 -1.26 -0.54 118.16 130.71 3ab4 n LYS 262 Ca -0.08 -3.10 0.07 0.00 -1.05 0.00 0.00 58.31 54.15 3ab4 n LYS 262 Cb 0.48 -1.83 -0.05 0.00 -0.65 0.00 0.00 35.03 32.98 3ab4 n LYS 262 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 3ab4 n SER 263 N -1.01 1.13 -4.96 -5.58 3.41 -1.26 -5.01 113.62 100.34 3ab4 n SER 263 Ca 0.32 -1.07 -0.22 0.00 -0.26 0.00 0.00 58.87 57.64 3ab4 n SER 263 Cb 1.03 0.75 -0.01 0.00 -0.26 0.00 0.00 64.21 65.73 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 -2.18 3.35 0.35 4.33 0.41 -1.26 -1.30 118.70 122.39 3ab4 s GLU 264 Ca 0.09 -0.53 0.09 0.00 -0.41 0.00 0.00 54.97 54.22 3ab4 s GLU 264 Cb 0.12 -2.71 -0.06 0.00 -1.78 0.00 0.00 34.13 29.70 3ab4 s GLU 264 CO 0.52 0.11 -0.09 0.00 -0.49 0.00 0.00 175.26 175.31 3ab4 s ALA 265 N -2.28 2.97 -0.13 5.21 0.00 0.16 -4.51 121.76 123.18 3ab4 s ALA 265 Ca 0.41 -2.09 0.01 0.00 0.00 0.00 0.00 51.96 50.28 3ab4 s ALA 265 Cb -0.10 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 22.99 3ab4 s ALA 265 CO 0.34 0.08 -0.15 0.21 0.00 0.00 0.00 175.76 176.24 3ab4 s LYS 266 N -3.61 2.29 -0.11 0.00 2.20 0.31 -1.37 119.74 119.44 3ab4 s LYS 266 Ca 0.33 -0.56 -0.00 0.00 -0.36 0.00 0.00 55.97 55.37 3ab4 s LYS 266 Cb 0.03 -2.04 -0.03 0.00 -1.51 0.00 0.00 37.83 34.28 3ab4 s LYS 266 CO 0.17 -0.17 -0.08 0.08 -0.36 0.00 0.00 175.35 174.98 3ab4 s VAL 267 N 1.30 3.54 -0.11 4.02 1.01 0.04 -1.04 120.40 129.17 3ab4 s VAL 267 Ca 0.01 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.51 3ab4 s VAL 267 Cb -0.14 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 33.76 3ab4 s VAL 267 CO -0.07 0.55 -0.24 -0.89 0.00 0.00 0.00 175.10 174.45 3ab4 s THR 268 N -0.20 2.07 -0.34 3.92 2.01 -0.65 -1.39 115.64 121.06 3ab4 s THR 268 Ca 0.02 -1.01 -0.09 0.00 0.31 0.00 0.00 61.69 60.92 3ab4 s THR 268 Cb -0.13 -1.79 0.02 0.00 0.01 0.00 0.00 72.50 70.61 3ab4 s THR 268 CO 0.03 0.56 0.16 -0.69 -0.69 0.00 0.00 174.62 173.99 3ab4 s VAL 269 N 0.44 4.40 -0.03 3.82 1.01 0.83 0.38 120.40 131.25 3ab4 s VAL 269 Ca -0.16 -0.75 -0.08 0.00 0.00 0.00 0.00 61.98 60.98 3ab4 s VAL 269 Cb -0.17 -3.38 -0.05 0.00 0.00 0.00 0.00 36.38 32.78 3ab4 s VAL 269 CO 0.07 -0.10 0.26 -0.76 0.00 0.00 0.00 175.10 174.56 3ab4 s LEU 270 N 1.54 4.39 -0.33 3.92 1.43 -0.39 -0.89 118.68 128.36 3ab4 s LEU 270 Ca 0.02 0.60 -0.01 0.00 -1.03 0.00 0.00 54.13 53.71 3ab4 s LEU 270 Cb -0.18 -2.49 0.00 0.00 0.03 0.00 0.00 46.19 43.55 3ab4 s LEU 270 CO 0.05 0.31 0.18 0.61 0.23 0.00 0.00 176.35 177.74 3ab4 n GLY 271 N 1.48 0.50 3.72 -3.19 0.00 -0.76 -1.79 105.19 105.15 3ab4 n GLY 271 Ca -0.14 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.82 4.72 0.25 -0.61 1.01 -0.12 -3.88 121.20 119.75 3ab4 s ILE 272 Ca 0.09 2.06 -0.30 0.00 0.00 0.00 0.00 60.65 62.50 3ab4 s ILE 272 Cb -0.04 -4.32 -0.09 0.00 0.01 0.00 0.00 42.46 38.02 3ab4 s ILE 272 CO 0.11 0.22 1.19 -0.94 0.00 0.00 0.00 174.94 175.52 3ab4 s SER 273 N 0.62 7.08 -0.91 3.58 1.04 -1.26 0.27 113.70 124.12 3ab4 s SER 273 Ca 0.50 2.36 -0.22 0.00 0.48 0.00 0.00 55.95 59.07 3ab4 s SER 273 Cb -0.22 -2.62 0.08 0.00 0.10 0.00 0.00 66.02 63.35 3ab4 s SER 273 CO 0.29 -0.32 1.27 -0.62 0.98 0.00 0.00 173.24 174.83 3ab4 s ASP 274 N -0.39 6.46 -0.17 7.02 3.68 -1.10 -4.81 116.67 127.36 3ab4 s ASP 274 Ca 0.49 -1.45 -0.28 0.00 2.13 0.00 0.00 52.55 53.44 3ab4 s ASP 274 Cb -0.34 -2.50 0.07 0.00 -1.45 0.00 0.00 42.92 38.71 3ab4 s ASP 274 CO 0.42 -1.40 0.72 -0.75 0.13 0.00 0.00 175.17 174.29 3ab4 s LYS 275 N 4.24 0.92 0.22 4.34 2.20 -1.26 -4.97 119.74 125.43 3ab4 s LYS 275 Ca 0.37 0.62 -0.32 0.00 -0.36 0.00 0.00 55.97 56.29 3ab4 s LYS 275 Cb -0.05 0.44 -0.14 0.00 -1.51 0.00 0.00 37.83 36.58 3ab4 s LYS 275 CO -0.04 -0.21 1.36 -2.30 -0.36 0.00 0.00 175.35 173.80 3ab4 n PRO 276 N 1.80 1.82 -0.44 4.03 -0.02 -1.26 -2.66 135.00 138.27 3ab4 n PRO 276 Ca -0.16 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 3ab4 n PRO 276 Cb 0.56 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 3ab4 n PRO 276 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ab4 n GLY 277 N 2.19 0.79 0.13 -1.23 0.00 -1.26 -4.93 105.19 100.88 3ab4 n GLY 277 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 3ab4 n GLY 277 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3ab4 h GLU 278 N 3.97 0.39 -0.40 1.61 4.57 -1.82 -2.25 114.58 120.65 3ab4 h GLU 278 Ca 0.00 -0.67 0.01 0.00 -1.18 0.00 0.00 59.36 57.52 3ab4 h GLU 278 Cb 0.00 0.25 -0.02 0.00 -0.16 0.00 0.00 28.75 28.82 3ab4 h GLU 278 CO 0.00 1.32 0.26 0.00 -1.18 0.00 0.00 179.01 179.41 3ab4 h ALA 279 N 0.09 1.74 -0.33 2.92 0.00 -1.90 -2.71 119.26 119.08 3ab4 h ALA 279 Ca -0.23 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.68 3ab4 h ALA 279 Cb 1.90 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.51 3ab4 h ALA 279 CO 0.19 0.23 0.15 0.00 0.00 0.00 0.00 179.25 179.81 3ab4 h ALA 280 N 1.76 0.39 -0.82 0.00 0.00 -1.91 -2.19 119.26 116.49 3ab4 h ALA 280 Ca 0.15 0.02 0.18 0.00 0.00 0.00 0.00 54.91 55.26 3ab4 h ALA 280 Cb -0.02 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 17.63 3ab4 h ALA 280 CO -0.03 -0.24 0.32 0.87 0.00 0.00 0.00 179.25 180.17 3ab4 h LYS 281 N 0.31 0.39 0.05 0.00 1.57 -1.07 -2.02 116.57 115.80 3ab4 h LYS 281 Ca 0.14 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3ab4 h LYS 281 Cb 0.07 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.30 3ab4 h LYS 281 CO -0.11 0.26 -0.02 0.28 -0.57 0.00 0.00 179.45 179.28 3ab4 h VAL 282 N 0.40 1.22 0.00 0.50 2.07 -1.41 -3.01 116.25 116.03 3ab4 h VAL 282 Ca 0.48 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 67.08 3ab4 h VAL 282 Cb 0.82 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 3ab4 h VAL 282 CO -0.48 0.23 0.00 -0.26 0.02 0.00 0.00 177.57 177.08 3ab4 h PHE 283 N -0.48 0.00 -0.04 1.57 0.04 -1.30 -2.86 116.94 113.87 3ab4 h PHE 283 Ca -0.01 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 3ab4 h PHE 283 Cb 0.43 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.58 3ab4 h PHE 283 CO 0.06 0.00 -0.02 0.00 -0.60 0.00 0.00 178.31 177.75 3ab4 h ARG 284 N 0.00 0.09 -0.64 1.51 2.47 -1.42 0.20 114.38 116.58 3ab4 h ARG 284 Ca 0.00 -0.04 0.13 0.00 -1.26 0.00 0.00 59.98 58.81 3ab4 h ARG 284 Cb 0.82 -0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 29.04 3ab4 h ARG 284 CO 0.00 0.48 0.06 0.00 0.56 0.00 0.00 179.97 181.07 3ab4 h ALA 285 N 0.61 0.70 -0.03 0.04 0.00 -1.44 0.30 119.26 119.44 3ab4 h ALA 285 Ca 0.01 0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3ab4 h ALA 285 Cb 0.45 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3ab4 h ALA 285 CO 0.01 -0.37 -0.12 -0.07 0.00 0.00 0.00 179.25 178.70 3ab4 h LEU 286 N 0.17 0.16 -0.89 0.00 3.38 -1.43 -1.44 115.31 115.26 3ab4 h LEU 286 Ca 0.34 -0.64 0.13 0.00 0.09 0.00 0.00 57.88 57.81 3ab4 h LEU 286 Cb 0.56 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.17 3ab4 h LEU 286 CO -0.51 0.77 0.51 0.00 0.09 0.00 0.00 178.44 179.30 3ab4 h ALA 287 N 0.39 1.34 -0.09 1.53 0.00 -0.43 0.97 119.26 122.98 3ab4 h ALA 287 Ca -0.01 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 3ab4 h ALA 287 Cb 0.76 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3ab4 h ALA 287 CO 0.02 0.03 -0.40 -0.44 0.00 0.00 0.00 179.25 178.47 3ab4 h ASP 288 N 0.76 0.21 -0.04 0.00 3.32 -0.74 -0.40 116.42 119.52 3ab4 h ASP 288 Ca 0.46 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.43 3ab4 h ASP 288 Cb 0.56 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.06 3ab4 h ASP 288 CO -0.31 0.59 0.00 0.00 -1.72 0.00 0.00 179.24 177.80 3ab4 n ALA 289 N -2.47 2.60 -3.21 3.45 0.00 -0.28 -4.93 120.51 115.67 3ab4 n ALA 289 Ca -0.01 -0.25 -0.23 0.00 0.00 0.00 0.00 53.44 52.95 3ab4 n ALA 289 Cb 0.47 -1.27 0.02 0.00 0.00 0.00 0.00 19.45 18.67 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 -0.49 -4.55 -2.55 0.00 1.02 0.18 -4.95 120.64 109.30 3ab4 n GLU 290 Ca 0.16 0.73 -0.43 0.00 -0.02 0.00 0.00 57.16 57.61 3ab4 n GLU 290 Cb 0.15 -5.56 -0.02 0.00 -0.02 0.00 0.00 31.44 26.00 3ab4 n GLU 290 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3ab4 s ILE 291 N -3.10 4.49 -0.30 -3.67 1.01 -0.81 -4.99 121.20 113.83 3ab4 s ILE 291 Ca 0.37 1.80 -0.29 0.00 0.00 0.00 0.00 60.65 62.53 3ab4 s ILE 291 Cb -0.18 -4.16 -0.01 0.00 0.01 0.00 0.00 42.46 38.12 3ab4 s ILE 291 CO 0.46 -0.14 1.45 0.20 0.00 0.00 0.00 174.94 176.91 3ab4 s ASN 292 N 1.54 6.46 -0.17 3.58 -0.87 -1.26 -4.66 114.94 119.56 3ab4 s ASN 292 Ca 0.49 1.25 -0.19 0.00 -1.57 0.00 0.00 52.86 52.84 3ab4 s ASN 292 Cb -0.19 -2.54 -0.03 0.00 -0.02 0.00 0.00 41.25 38.47 3ab4 s ASN 292 CO 0.11 -1.25 0.53 -0.63 -2.57 0.00 0.00 177.10 173.29 3ab4 s ILE 293 N 5.02 5.11 -0.12 0.60 -1.09 -1.26 -3.99 121.20 125.46 3ab4 s ILE 293 Ca 0.63 1.02 0.16 0.00 -2.23 0.00 0.00 60.65 60.23 3ab4 s ILE 293 Cb -0.19 -3.86 -0.23 0.00 -1.58 0.00 0.00 42.46 36.60 3ab4 s ILE 293 CO 0.28 0.21 0.16 -0.67 -1.23 0.00 0.00 174.94 173.69 3ab4 n ASP 294 N 4.46 0.82 -3.64 3.58 4.64 -0.78 -4.99 116.55 120.64 3ab4 n ASP 294 Ca -0.05 0.00 -0.03 0.00 -1.38 0.00 0.00 54.79 53.33 3ab4 n ASP 294 Cb 0.51 1.20 -0.07 0.00 -1.04 0.00 0.00 41.12 41.72 3ab4 n ASP 294 CO 0.00 0.00 0.00 -0.32 -0.82 0.00 0.00 177.20 176.06 3ab4 s MET 295 N -2.67 0.35 0.03 -0.67 0.00 -1.26 -4.99 119.30 110.08 3ab4 s MET 295 Ca -0.08 0.55 0.04 0.00 0.00 0.00 0.00 55.69 56.20 3ab4 s MET 295 Cb 0.07 0.10 -0.02 0.00 0.00 0.00 0.00 34.83 34.98 3ab4 s MET 295 CO 0.72 -0.06 -0.12 0.54 0.00 0.00 0.00 175.02 176.09 3ab4 s VAL 296 N 1.01 0.95 -0.04 10.11 0.11 -1.26 -1.35 120.40 129.93 3ab4 s VAL 296 Ca -0.06 -0.92 -0.00 0.00 -2.93 0.00 0.00 61.98 58.07 3ab4 s VAL 296 Cb -0.04 -0.88 0.03 0.00 -1.53 0.00 0.00 36.38 33.96 3ab4 s VAL 296 CO -0.13 -0.03 0.00 -0.76 -3.33 0.00 0.00 175.10 170.85 3ab4 s LEU 297 N -1.08 0.92 -0.04 2.54 1.02 -0.26 -5.01 118.68 116.77 3ab4 s LEU 297 Ca -0.00 -0.05 -0.00 0.00 0.02 0.00 0.00 54.13 54.10 3ab4 s LEU 297 Cb -0.07 -0.31 0.03 0.00 0.02 0.00 0.00 46.19 45.85 3ab4 s LEU 297 CO 0.01 -0.14 0.00 -1.58 0.02 0.00 0.00 176.35 174.67 3ab4 s GLN 298 N 1.39 0.37 0.40 1.70 0.74 -1.26 -1.39 119.66 121.62 3ab4 s GLN 298 Ca -0.04 0.09 0.08 0.00 0.05 0.00 0.00 55.36 55.54 3ab4 s GLN 298 Cb -0.13 -0.61 -0.00 0.00 1.10 0.00 0.00 33.01 33.37 3ab4 s GLN 298 CO -0.03 -0.18 0.50 1.21 -0.55 0.00 0.00 175.29 176.24 3ab4 s ASN 299 N 1.29 5.53 0.85 6.67 3.84 -1.26 -5.08 114.94 126.79 3ab4 s ASN 299 Ca -0.06 -0.47 -0.14 0.00 0.21 0.00 0.00 52.86 52.40 3ab4 s ASN 299 Cb -0.13 -0.73 0.03 0.00 -0.55 0.00 0.00 41.25 39.87 3ab4 s ASN 299 CO -0.02 -0.67 0.65 0.55 -2.79 0.00 0.00 177.10 174.82 3ab4 n VAL 300 N -1.73 0.94 0.00 -5.21 3.14 -1.26 -4.73 118.33 109.48 3ab4 n VAL 300 Ca 0.05 -0.24 0.00 0.00 -2.96 0.00 0.00 64.34 61.19 3ab4 n VAL 300 Cb 0.60 -0.80 0.00 0.00 -1.06 0.00 0.00 33.84 32.58 3ab4 n VAL 300 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 3ab4 n PHE 301 N -3.23 0.00 0.38 1.45 0.99 -1.26 -4.92 117.46 110.88 3ab4 n PHE 301 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.54 3ab4 n PHE 301 Cb 0.52 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.00 3ab4 n PHE 301 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3ab4 n GLY 306 N -1.31 0.74 3.40 1.37 0.00 -1.26 -4.80 105.19 103.32 3ab4 n GLY 306 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3ab4 n GLY 306 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ab4 s THR 307 N 0.47 0.06 0.02 2.61 -4.23 -1.26 -2.71 115.64 110.59 3ab4 s THR 307 Ca 0.00 -0.90 0.00 0.00 -1.18 0.00 0.00 61.69 59.62 3ab4 s THR 307 Cb 0.00 -1.51 -0.00 0.00 1.34 0.00 0.00 72.50 72.33 3ab4 s THR 307 CO 0.00 -0.26 0.02 1.07 -0.54 0.00 0.00 174.62 174.91 3ab4 n THR 308 N -0.26 0.00 -4.65 3.99 5.66 0.14 -4.85 114.28 114.32 3ab4 n THR 308 Ca -0.11 -0.10 -0.25 0.00 -3.05 0.00 0.00 64.05 60.54 3ab4 n THR 308 Cb 0.63 0.05 -0.14 0.00 -1.55 0.00 0.00 70.33 69.32 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 -1.10 2.33 -0.10 1.09 -0.00 -1.26 -0.94 116.67 116.68 3ab4 s ASP 309 Ca 0.02 -0.49 0.02 0.00 -0.00 0.00 0.00 52.55 52.10 3ab4 s ASP 309 Cb 0.00 -0.20 0.01 0.00 -0.00 0.00 0.00 42.92 42.73 3ab4 s ASP 309 CO 0.01 0.16 -0.17 -0.63 -0.00 0.00 0.00 175.17 174.54 3ab4 s ILE 310 N -0.75 1.57 0.08 0.77 1.01 -0.07 -4.23 121.20 119.58 3ab4 s ILE 310 Ca 0.07 -0.70 0.05 0.00 0.00 0.00 0.00 60.65 60.07 3ab4 s ILE 310 Cb -0.08 -1.41 -0.04 0.00 0.01 0.00 0.00 42.46 40.94 3ab4 s ILE 310 CO 0.01 0.45 -0.06 -0.89 0.00 0.00 0.00 174.94 174.46 3ab4 s THR 311 N 0.78 3.65 0.18 2.92 2.01 -0.49 -0.12 115.64 124.58 3ab4 s THR 311 Ca -0.11 -1.06 -0.12 0.00 0.31 0.00 0.00 61.69 60.72 3ab4 s THR 311 Cb -0.16 -2.69 0.00 0.00 0.01 0.00 0.00 72.50 69.66 3ab4 s THR 311 CO 0.02 0.18 0.37 0.72 -0.69 0.00 0.00 174.62 175.21 3ab4 s PHE 312 N -1.20 0.25 0.05 4.92 -0.12 -0.48 -1.10 117.98 120.30 3ab4 s PHE 312 Ca 0.22 -0.61 0.06 0.00 -0.05 0.00 0.00 56.93 56.55 3ab4 s PHE 312 Cb -0.11 0.09 -0.03 0.00 -0.63 0.00 0.00 43.02 42.33 3ab4 s PHE 312 CO 0.14 -0.80 -0.15 0.99 -0.05 0.00 0.00 175.22 175.35 3ab4 s THR 313 N -3.95 3.05 0.09 -4.49 2.01 -0.46 -0.78 115.64 111.12 3ab4 s THR 313 Ca 0.15 -1.15 -0.16 0.00 0.31 0.00 0.00 61.69 60.85 3ab4 s THR 313 Cb 0.02 -2.33 0.03 0.00 0.01 0.00 0.00 72.50 70.23 3ab4 s THR 313 CO 0.00 0.29 0.37 0.00 -0.69 0.00 0.00 174.62 174.60 3ab4 n PRO 315 N 0.10 1.13 0.20 0.00 -0.02 -1.26 0.40 135.00 135.56 3ab4 n PRO 315 Ca -0.17 0.41 0.07 0.00 -2.02 0.00 0.00 63.50 61.78 3ab4 n PRO 315 Cb 0.62 -1.90 0.57 0.00 -0.02 0.00 0.00 33.50 32.77 3ab4 n PRO 315 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ab4 h ARG 316 N 1.33 0.11 0.00 -0.52 3.08 -1.45 0.16 114.38 117.09 3ab4 h ARG 316 Ca -0.43 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.61 3ab4 h ARG 316 Cb 1.35 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.38 3ab4 h ARG 316 CO 0.55 0.11 0.00 -1.13 -1.07 0.00 0.00 179.97 178.43 3ab4 n SER 317 N -4.49 0.60 0.00 7.04 3.41 -1.26 -2.64 113.62 116.29 3ab4 n SER 317 Ca -0.02 0.69 0.11 0.00 -0.26 0.00 0.00 58.87 59.39 3ab4 n SER 317 Cb 0.11 -0.80 -0.10 0.00 -0.26 0.00 0.00 64.21 63.16 3ab4 n SER 317 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3ab4 n ASP 318 N -2.21 0.63 -0.17 4.04 8.00 0.53 -4.69 116.55 122.68 3ab4 n ASP 318 Ca 0.01 -0.56 -0.02 0.00 0.71 0.00 0.00 54.79 54.93 3ab4 n ASP 318 Cb 0.16 1.25 0.07 0.00 -0.02 0.00 0.00 41.12 42.58 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 4.63 0.58 0.74 0.44 0.00 -1.28 -0.76 103.07 107.40 3ab4 h GLY 319 Ca 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 3ab4 h GLY 319 CO 0.00 -0.13 -0.01 0.07 0.00 0.00 0.00 176.54 176.48 3ab4 h ARG 320 N 0.16 0.18 -0.48 4.80 0.11 -1.84 0.68 114.38 118.00 3ab4 h ARG 320 Ca 0.26 -0.06 0.06 0.00 0.10 0.00 0.00 59.98 60.34 3ab4 h ARG 320 Cb 0.39 -0.01 -0.05 0.00 1.11 0.00 0.00 29.97 31.41 3ab4 h ARG 320 CO -0.40 0.46 0.18 -0.09 0.10 0.00 0.00 179.97 180.22 3ab4 h ARG 321 N -0.12 0.35 -0.67 0.08 2.43 -1.84 -0.81 114.38 113.80 3ab4 h ARG 321 Ca 0.03 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 3ab4 h ARG 321 Cb 0.38 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.81 3ab4 h ARG 321 CO 0.01 0.23 0.43 0.00 -1.51 0.00 0.00 179.97 179.13 3ab4 h ALA 322 N 1.31 0.88 -0.46 2.80 0.00 -0.63 -0.20 119.26 122.96 3ab4 h ALA 322 Ca 0.23 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 3ab4 h ALA 322 Cb 0.22 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3ab4 h ALA 322 CO -0.22 0.21 -0.06 1.98 0.00 0.00 0.00 179.25 181.16 3ab4 h MET 323 N 0.84 0.85 -0.34 0.00 1.85 -0.49 -2.47 114.93 115.18 3ab4 h MET 323 Ca 0.27 -0.30 -0.13 0.00 -0.61 0.00 0.00 59.70 58.93 3ab4 h MET 323 Cb -0.01 -0.06 -0.01 0.00 0.43 0.00 0.00 31.60 31.96 3ab4 h MET 323 CO -0.10 0.93 -0.28 1.05 -0.40 0.00 0.00 176.91 178.11 3ab4 h GLU 324 N 0.69 0.79 -0.54 0.39 4.11 -0.77 -0.05 114.58 119.20 3ab4 h GLU 324 Ca 0.12 -0.40 0.03 0.00 0.07 0.00 0.00 59.36 59.19 3ab4 h GLU 324 Cb 0.58 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 3ab4 h GLU 324 CO 0.03 1.03 0.32 0.82 0.07 0.00 0.00 179.01 181.28 3ab4 h ILE 325 N 0.57 1.03 -0.01 -1.06 1.08 -1.08 -1.57 117.51 116.47 3ab4 h ILE 325 Ca 0.06 -0.21 -0.13 0.00 -0.39 0.00 0.00 64.86 64.19 3ab4 h ILE 325 Cb 0.85 0.36 -0.02 0.00 -3.07 0.00 0.00 36.82 34.94 3ab4 h ILE 325 CO 0.07 0.11 -0.60 -0.07 -0.69 0.00 0.00 178.15 176.97 3ab4 h LEU 326 N 0.62 0.03 -0.94 1.44 4.07 -1.36 -2.69 115.31 116.48 3ab4 h LEU 326 Ca 0.22 -0.02 -0.11 0.00 0.08 0.00 0.00 57.88 58.05 3ab4 h LEU 326 Cb 0.05 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 41.77 3ab4 h LEU 326 CO -0.11 0.63 -0.47 0.11 -1.08 0.00 0.00 178.44 177.51 3ab4 h LYS 327 N 0.02 0.13 -0.14 1.13 1.79 -0.69 -2.76 116.57 116.05 3ab4 h LYS 327 Ca -0.01 -0.07 -0.18 0.00 -2.18 0.00 0.00 60.65 58.22 3ab4 h LYS 327 Cb 1.07 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.72 3ab4 h LYS 327 CO 0.08 0.58 -0.65 0.87 -1.08 0.00 0.00 179.45 179.25 3ab4 h LYS 328 N 0.11 0.52 0.00 3.15 1.79 -1.14 -2.53 116.57 118.46 3ab4 h LYS 328 Ca 0.00 -0.37 0.00 0.00 -2.18 0.00 0.00 60.65 58.10 3ab4 h LYS 328 Cb 0.88 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.59 3ab4 h LYS 328 CO 0.07 0.99 0.00 1.28 -1.08 0.00 0.00 179.45 180.71 3ab4 n LEU 329 N -3.91 0.00 0.09 2.94 7.99 -1.03 -3.36 117.00 119.72 3ab4 n LEU 329 Ca -0.04 0.34 -0.15 0.00 -0.01 0.00 0.00 56.01 56.15 3ab4 n LEU 329 Cb 0.66 -0.34 -0.09 0.00 -0.11 0.00 0.00 43.42 43.55 3ab4 n LEU 329 CO 0.48 -0.13 0.07 -0.61 -1.51 0.00 0.00 177.39 175.70 3ab4 h GLN 330 N 0.00 0.37 -0.99 3.23 4.15 -1.16 -2.93 115.11 117.78 3ab4 h GLN 330 Ca 0.00 -0.48 0.14 0.00 0.77 0.00 0.00 58.65 59.08 3ab4 h GLN 330 Cb 0.22 0.16 -0.09 0.00 0.21 0.00 0.00 27.48 27.97 3ab4 h GLN 330 CO 0.00 1.17 0.62 -0.24 -1.93 0.00 0.00 178.83 178.45 3ab4 h VAL 331 N 0.17 0.85 -0.43 2.39 3.04 -1.66 -1.61 116.25 119.01 3ab4 h VAL 331 Ca -0.11 -0.31 0.12 0.00 -1.01 0.00 0.00 66.70 65.40 3ab4 h VAL 331 Cb 1.75 -0.12 -0.02 0.00 -2.01 0.00 0.00 31.29 30.89 3ab4 h VAL 331 CO 0.19 0.16 0.82 -0.61 -1.01 0.00 0.00 177.57 177.12 3ab4 h GLN 332 N 0.89 0.00 0.00 4.17 4.15 -1.67 -3.44 115.11 119.21 3ab4 h GLN 332 Ca 0.51 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.93 3ab4 h GLN 332 Cb 0.64 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.33 3ab4 h GLN 332 CO -0.29 0.00 0.00 0.41 -1.93 0.00 0.00 178.83 177.02 3ab4 n GLY 333 N -1.51 2.89 0.00 2.39 0.00 -0.60 -5.00 105.19 103.35 3ab4 n GLY 333 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3ab4 n GLY 333 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ab4 n ASN 334 N 0.00 0.00 -4.95 1.61 0.23 -1.26 -4.83 115.26 106.06 3ab4 n ASN 334 Ca 0.00 0.26 -0.23 0.00 -0.53 0.00 0.00 54.58 54.08 3ab4 n ASN 334 Cb 0.00 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 37.68 3ab4 n ASN 334 CO 0.00 0.00 0.00 -1.66 -0.93 0.00 0.00 177.26 174.67 3ab4 s TRP 335 N -0.52 3.48 -0.21 -2.53 -2.14 -1.26 -4.74 118.94 111.02 3ab4 s TRP 335 Ca 0.00 0.21 0.22 0.00 2.66 0.00 0.00 56.10 59.18 3ab4 s TRP 335 Cb 0.00 -1.77 -0.04 0.00 -3.10 0.00 0.00 33.47 28.57 3ab4 s TRP 335 CO 0.00 0.26 0.98 0.25 -2.66 0.00 0.00 176.95 175.78 3ab4 n THR 336 N -1.56 0.69 -3.53 0.66 -2.24 -0.74 -4.83 114.28 102.73 3ab4 n THR 336 Ca -0.06 -0.57 -0.09 0.00 -2.27 0.00 0.00 64.05 61.06 3ab4 n THR 336 Cb 0.56 -0.39 -0.03 0.00 -2.10 0.00 0.00 70.33 68.38 3ab4 n THR 336 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3ab4 s ASN 337 N -5.39 -0.35 -0.03 3.42 3.84 -1.18 -5.02 114.94 110.22 3ab4 s ASN 337 Ca -0.01 0.09 0.01 0.00 0.21 0.00 0.00 52.86 53.15 3ab4 s ASN 337 Cb 0.10 0.35 0.02 0.00 -0.55 0.00 0.00 41.25 41.17 3ab4 s ASN 337 CO 0.80 -0.53 -0.01 0.54 -2.79 0.00 0.00 177.10 175.11 3ab4 s VAL 338 N -2.63 0.24 0.24 -5.21 0.11 -1.26 -1.26 120.40 110.62 3ab4 s VAL 338 Ca 0.04 0.03 0.08 0.00 -2.93 0.00 0.00 61.98 59.20 3ab4 s VAL 338 Cb -0.01 -0.31 -0.04 0.00 -1.53 0.00 0.00 36.38 34.49 3ab4 s VAL 338 CO -0.06 0.15 0.10 -0.76 -3.33 0.00 0.00 175.10 171.19 3ab4 s LEU 339 N 0.90 3.54 -0.02 2.54 1.43 0.16 -4.93 118.68 122.30 3ab4 s LEU 339 Ca -0.10 -0.39 -0.00 0.00 -1.03 0.00 0.00 54.13 52.61 3ab4 s LEU 339 Cb -0.13 -2.09 0.02 0.00 0.03 0.00 0.00 46.19 44.02 3ab4 s LEU 339 CO -0.01 0.00 0.03 -0.47 0.23 0.00 0.00 176.35 176.13 3ab4 s TYR 340 N -2.10 0.01 -0.22 0.29 5.04 -1.26 -1.63 117.35 117.48 3ab4 s TYR 340 Ca 0.31 0.10 -0.03 0.00 -2.44 0.00 0.00 57.07 55.01 3ab4 s TYR 340 Cb -0.08 -0.14 0.10 0.00 0.35 0.00 0.00 41.96 42.20 3ab4 s TYR 340 CO 0.22 -0.06 0.25 0.34 -1.34 0.00 0.00 175.55 174.96 3ab4 s ASP 341 N 0.66 1.31 -0.26 4.32 3.68 -0.21 -5.00 116.67 121.18 3ab4 s ASP 341 Ca -0.05 -0.25 0.11 0.00 2.13 0.00 0.00 52.55 54.49 3ab4 s ASP 341 Cb -0.08 0.48 0.50 0.00 -1.45 0.00 0.00 42.92 42.37 3ab4 s ASP 341 CO -0.02 -0.33 1.44 -0.90 0.13 0.00 0.00 175.17 175.49 3ab4 n ASP 342 N 5.32 2.83 -0.58 -0.34 5.75 -1.26 -0.53 116.55 127.74 3ab4 n ASP 342 Ca -0.05 -3.55 0.06 0.00 -0.01 0.00 0.00 54.79 51.24 3ab4 n ASP 342 Cb 0.49 -0.60 0.14 0.00 -1.03 0.00 0.00 41.12 40.11 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 -0.98 1.06 -3.31 0.11 6.02 -1.26 -4.92 117.38 114.10 3ab4 n GLN 343 Ca 0.29 -2.62 -0.37 0.00 -0.01 0.00 0.00 57.00 54.30 3ab4 n GLN 343 Cb 0.98 -1.20 -0.06 0.00 1.02 0.00 0.00 30.24 30.99 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 -2.25 4.79 0.07 5.09 -7.23 -1.26 -1.06 120.40 118.55 3ab4 s VAL 344 Ca 0.31 1.00 0.09 0.00 -1.81 0.00 0.00 61.98 61.58 3ab4 s VAL 344 Cb 0.31 -3.80 -0.03 0.00 0.56 0.00 0.00 36.38 33.41 3ab4 s VAL 344 CO -0.05 0.35 -0.26 -0.83 -0.31 0.00 0.00 175.10 174.00 3ab4 s GLY 345 N -1.50 1.41 -0.24 2.32 0.00 0.13 -4.55 107.32 104.90 3ab4 s GLY 345 Ca 0.35 -1.30 -0.04 0.00 0.00 0.00 0.00 44.72 43.74 3ab4 s GLY 345 CO 0.19 -1.22 -0.04 1.25 0.00 0.00 0.00 173.10 173.29 3ab4 s LYS 346 N -1.47 3.19 -0.06 2.90 2.20 0.30 -1.38 119.74 125.42 3ab4 s LYS 346 Ca 0.12 -0.75 0.03 0.00 -0.36 0.00 0.00 55.97 55.01 3ab4 s LYS 346 Cb -0.10 -3.04 -0.03 0.00 -1.51 0.00 0.00 37.83 33.16 3ab4 s LYS 346 CO 0.03 -0.28 -0.13 0.54 -0.36 0.00 0.00 175.35 175.15 3ab4 s VAL 347 N 1.44 3.16 0.07 4.02 0.11 -0.56 -0.37 120.40 128.27 3ab4 s VAL 347 Ca 0.04 -0.68 0.02 0.00 -2.93 0.00 0.00 61.98 58.43 3ab4 s VAL 347 Cb -0.15 -2.25 -0.03 0.00 -1.53 0.00 0.00 36.38 32.42 3ab4 s VAL 347 CO -0.03 0.59 -0.07 -0.44 -3.33 0.00 0.00 175.10 171.82 3ab4 s SER 348 N -0.70 1.00 -0.04 3.54 0.01 -0.11 -1.08 113.70 116.32 3ab4 s SER 348 Ca 0.11 -0.77 0.06 0.00 1.31 0.00 0.00 55.95 56.65 3ab4 s SER 348 Cb -0.11 0.06 -0.01 0.00 0.21 0.00 0.00 66.02 66.17 3ab4 s SER 348 CO 0.01 -0.33 -0.22 -0.22 0.41 0.00 0.00 173.24 172.89 3ab4 s LEU 349 N -2.29 2.01 0.04 2.44 2.96 -0.44 -1.60 118.68 121.80 3ab4 s LEU 349 Ca 0.01 -0.42 0.05 0.00 -0.22 0.00 0.00 54.13 53.54 3ab4 s LEU 349 Cb -0.03 -1.16 -0.02 0.00 0.50 0.00 0.00 46.19 45.48 3ab4 s LEU 349 CO -0.02 0.23 -0.14 0.68 -1.32 0.00 0.00 176.35 175.77 3ab4 s VAL 350 N -0.24 1.13 0.00 1.68 -7.23 -0.17 -1.96 120.40 113.61 3ab4 s VAL 350 Ca 0.01 -1.03 0.00 0.00 -1.81 0.00 0.00 61.98 59.15 3ab4 s VAL 350 Cb -0.11 -1.03 0.00 0.00 0.56 0.00 0.00 36.38 35.80 3ab4 s VAL 350 CO 0.01 -0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.41 3ab4 n GLY 351 N 1.86 1.42 0.26 2.32 0.00 -0.76 0.22 105.19 110.51 3ab4 n GLY 351 Ca -0.18 0.03 0.09 0.00 0.00 0.00 0.00 46.02 45.96 3ab4 n GLY 351 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ab4 h ALA 352 N 0.00 1.89 0.00 4.61 0.00 -1.80 -2.82 119.26 121.13 3ab4 h ALA 352 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ab4 h ALA 352 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3ab4 h ALA 352 CO 0.00 0.02 0.03 0.41 0.00 0.00 0.00 179.25 179.71 3ab4 n GLY 353 N -1.46 -0.82 0.20 0.00 0.00 -0.10 -1.65 105.19 101.36 3ab4 n GLY 353 Ca -0.03 0.18 0.11 0.00 0.00 0.00 0.00 46.02 46.29 3ab4 n GLY 353 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3ab4 n MET 354 N -2.19 0.52 -0.19 1.61 3.85 -1.06 -3.84 117.12 115.82 3ab4 n MET 354 Ca -0.01 -0.39 -0.03 0.00 -1.00 0.00 0.00 57.70 56.26 3ab4 n MET 354 Cb 0.06 -1.49 0.07 0.00 -1.05 0.00 0.00 33.22 30.81 3ab4 n MET 354 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 3ab4 h LYS 355 N 0.96 0.50 0.00 3.17 3.64 -1.41 -3.27 116.57 120.16 3ab4 h LYS 355 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3ab4 h LYS 355 Cb 0.58 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3ab4 h LYS 355 CO 0.00 0.33 -0.00 0.43 -2.27 0.00 0.00 179.45 177.94 3ab4 n SER 356 N -4.89 2.31 -4.01 4.20 7.64 -1.26 -4.98 113.62 112.64 3ab4 n SER 356 Ca 0.06 -2.97 -0.31 0.00 1.01 0.00 0.00 58.87 56.66 3ab4 n SER 356 Cb 0.17 -0.38 -0.15 0.00 -1.01 0.00 0.00 64.21 62.83 3ab4 n SER 356 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 3ab4 s HIS 357 N -2.67 3.31 0.34 1.43 2.46 -1.23 -5.10 115.29 113.82 3ab4 s HIS 357 Ca 0.29 -2.56 -0.29 0.00 0.47 0.00 0.00 55.06 52.97 3ab4 s HIS 357 Cb 0.25 -2.37 -0.11 0.00 -0.13 0.00 0.00 32.58 30.22 3ab4 s HIS 357 CO 0.03 -0.90 1.49 -2.14 -2.47 0.00 0.00 174.74 170.74 3ab4 s PRO 358 N 1.07 4.15 0.00 2.88 0.02 -1.26 -3.78 135.00 138.08 3ab4 s PRO 358 Ca 0.03 2.51 0.00 0.00 0.02 0.00 0.00 61.00 63.56 3ab4 s PRO 358 Cb -0.19 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.32 3ab4 s PRO 358 CO -0.08 -0.51 0.00 0.41 -0.33 0.00 0.00 177.00 176.49 3ab4 n GLY 359 N 1.07 1.65 0.28 0.52 0.00 -1.26 -4.97 105.19 102.48 3ab4 n GLY 359 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 3ab4 n GLY 359 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3ab4 h VAL 360 N 0.00 1.25 -0.03 1.61 -1.51 -1.96 0.35 116.25 115.96 3ab4 h VAL 360 Ca 0.00 -1.10 -0.14 0.00 -1.23 0.00 0.00 66.70 64.24 3ab4 h VAL 360 Cb 0.00 0.96 -0.02 0.00 -2.13 0.00 0.00 31.29 30.10 3ab4 h VAL 360 CO 0.00 0.38 -0.61 0.00 -1.23 0.00 0.00 177.57 176.11 3ab4 h THR 361 N 0.73 1.41 -0.21 7.19 1.03 -1.93 0.32 112.91 121.45 3ab4 h THR 361 Ca 0.13 -2.03 0.03 0.00 -0.01 0.00 0.00 66.41 64.53 3ab4 h THR 361 Cb 0.53 2.07 -0.03 0.00 -1.07 0.00 0.00 68.15 69.64 3ab4 h THR 361 CO 0.03 0.59 0.02 0.00 -0.01 0.00 0.00 175.52 176.15 3ab4 h ALA 362 N 1.29 0.20 -0.45 0.00 0.00 -1.70 -2.17 119.26 116.43 3ab4 h ALA 362 Ca -0.01 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3ab4 h ALA 362 Cb 1.09 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 3ab4 h ALA 362 CO 0.09 -0.41 -0.08 0.93 0.00 0.00 0.00 179.25 179.78 3ab4 h GLU 363 N 0.10 0.79 0.51 0.00 5.08 -0.08 -1.02 114.58 119.95 3ab4 h GLU 363 Ca 0.10 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 3ab4 h GLU 363 Cb 0.11 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.29 3ab4 h GLU 363 CO -0.15 0.85 -0.25 0.35 -1.00 0.00 0.00 179.01 178.81 3ab4 h PHE 364 N 0.72 -0.64 -0.62 4.33 3.57 -0.89 -0.97 116.94 122.45 3ab4 h PHE 364 Ca 0.13 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.67 3ab4 h PHE 364 Cb 0.55 0.21 -0.05 0.00 2.79 0.00 0.00 35.95 39.45 3ab4 h PHE 364 CO 0.03 -0.39 0.34 0.52 -2.23 0.00 0.00 178.31 176.58 3ab4 h MET 365 N -0.69 0.62 0.00 1.11 2.86 -1.19 -2.18 114.93 115.46 3ab4 h MET 365 Ca -0.07 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.47 3ab4 h MET 365 Cb 0.53 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 3ab4 h MET 365 CO 0.12 0.41 -0.32 0.93 1.06 0.00 0.00 176.91 179.11 3ab4 h GLU 366 N 0.64 0.00 -0.24 1.72 5.08 -1.10 -0.69 114.58 120.00 3ab4 h GLU 366 Ca 0.28 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3ab4 h GLU 366 Cb 0.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 3ab4 h GLU 366 CO -0.17 0.32 0.14 0.00 -1.00 0.00 0.00 179.01 178.30 3ab4 h ALA 367 N 1.68 0.30 -0.10 3.43 0.00 -0.52 -1.04 119.26 123.02 3ab4 h ALA 367 Ca -0.00 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.66 3ab4 h ALA 367 Cb 0.58 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.29 3ab4 h ALA 367 CO 0.04 -0.19 -0.74 -0.07 0.00 0.00 0.00 179.25 178.29 3ab4 h LEU 368 N 0.30 0.82 -0.60 0.00 4.07 -1.33 -3.03 115.31 115.53 3ab4 h LEU 368 Ca 0.09 -0.66 0.12 0.00 0.08 0.00 0.00 57.88 57.50 3ab4 h LEU 368 Cb 0.02 -0.24 -0.09 0.00 1.08 0.00 0.00 40.66 41.42 3ab4 h LEU 368 CO -0.02 1.36 0.06 -0.09 -1.08 0.00 0.00 178.44 178.67 3ab4 h ARG 369 N 0.35 0.18 0.00 1.13 2.43 -1.07 -0.85 114.38 116.54 3ab4 h ARG 369 Ca -0.06 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3ab4 h ARG 369 Cb 1.38 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.89 3ab4 h ARG 369 CO 0.15 0.12 0.00 -0.25 -1.51 0.00 0.00 179.97 178.48 3ab4 n ASP 370 N -5.21 0.00 -0.51 -3.80 8.00 -0.40 -0.46 116.55 114.17 3ab4 n ASP 370 Ca 0.09 0.20 0.06 0.00 0.71 0.00 0.00 54.79 55.86 3ab4 n ASP 370 Cb 0.34 -0.37 0.16 0.00 -0.02 0.00 0.00 41.12 41.23 3ab4 n ASP 370 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3ab4 n VAL 371 N -1.37 1.56 -3.19 2.53 0.31 -0.73 -5.01 118.33 112.42 3ab4 n VAL 371 Ca 0.07 -1.49 -0.23 0.00 -0.01 0.00 0.00 64.34 62.69 3ab4 n VAL 371 Cb 0.18 0.14 0.02 0.00 -0.91 0.00 0.00 33.84 33.27 3ab4 n VAL 371 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 3ab4 n ASN 372 N -0.32 -5.22 -4.77 4.52 5.15 0.39 -4.99 115.26 110.02 3ab4 n ASN 372 Ca 0.13 -0.35 -0.36 0.00 -0.60 0.00 0.00 54.58 53.41 3ab4 n ASN 372 Cb 0.58 -4.24 -0.08 0.00 -0.53 0.00 0.00 39.78 35.51 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 -3.10 5.11 -0.05 3.44 -7.23 -0.57 -5.01 120.40 113.00 3ab4 s VAL 373 Ca 0.36 0.07 -0.18 0.00 -1.81 0.00 0.00 61.98 60.41 3ab4 s VAL 373 Cb -0.17 -3.25 -0.05 0.00 0.56 0.00 0.00 36.38 33.47 3ab4 s VAL 373 CO 0.44 0.55 0.51 0.21 -0.31 0.00 0.00 175.10 176.51 3ab4 s ASN 374 N -0.48 6.82 -0.20 4.85 2.47 -1.26 -4.29 114.94 122.85 3ab4 s ASN 374 Ca 0.11 0.98 -0.22 0.00 0.42 0.00 0.00 52.86 54.14 3ab4 s ASN 374 Cb -0.12 -2.31 -0.02 0.00 -1.45 0.00 0.00 41.25 37.35 3ab4 s ASN 374 CO 0.02 0.10 0.71 -0.63 -3.72 0.00 0.00 177.10 173.57 3ab4 s ILE 375 N -0.00 4.96 -0.22 -5.21 1.09 -1.26 -4.68 121.20 115.87 3ab4 s ILE 375 Ca 0.28 1.35 0.02 0.00 -1.10 0.00 0.00 60.65 61.20 3ab4 s ILE 375 Cb -0.17 -4.02 -0.20 0.00 -1.06 0.00 0.00 42.46 37.02 3ab4 s ILE 375 CO 0.13 0.06 -0.07 -0.62 -0.10 0.00 0.00 174.94 174.35 3ab4 n GLU 376 N 5.23 0.67 -3.91 2.79 1.02 -0.74 -4.99 120.64 120.72 3ab4 n GLU 376 Ca 0.01 0.16 -0.11 0.00 -0.02 0.00 0.00 57.16 57.20 3ab4 n GLU 376 Cb 0.49 -1.56 -0.13 0.00 -0.02 0.00 0.00 31.44 30.22 3ab4 n GLU 376 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3ab4 s LEU 377 N -6.50 2.09 -0.04 -4.62 2.96 -1.21 -4.97 118.68 106.39 3ab4 s LEU 377 Ca -0.29 -0.19 0.06 0.00 -0.22 0.00 0.00 54.13 53.48 3ab4 s LEU 377 Cb 0.08 0.05 -0.01 0.00 0.50 0.00 0.00 46.19 46.81 3ab4 s LEU 377 CO 0.66 -0.12 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.72 3ab4 s ILE 378 N -0.58 1.77 0.02 6.68 1.01 -1.26 -1.92 121.20 126.92 3ab4 s ILE 378 Ca -0.06 -0.93 -0.03 0.00 0.00 0.00 0.00 60.65 59.63 3ab4 s ILE 378 Cb -0.04 -1.49 -0.01 0.00 0.01 0.00 0.00 42.46 40.93 3ab4 s ILE 378 CO -0.00 0.50 0.04 -0.55 0.00 0.00 0.00 174.94 174.92 3ab4 s SER 379 N -0.26 0.19 0.02 3.58 0.15 -0.22 -5.02 113.70 112.14 3ab4 s SER 379 Ca 0.01 -0.46 -0.13 0.00 0.70 0.00 0.00 55.95 56.08 3ab4 s SER 379 Cb -0.11 0.16 0.02 0.00 -1.71 0.00 0.00 66.02 64.37 3ab4 s SER 379 CO 0.01 -0.38 0.27 0.42 1.20 0.00 0.00 173.24 174.77 3ab4 s THR 380 N -1.80 0.08 0.08 6.45 -4.23 -1.26 -0.30 115.64 114.66 3ab4 s THR 380 Ca -0.12 -0.67 0.00 0.00 -1.18 0.00 0.00 61.69 59.72 3ab4 s THR 380 Cb -0.07 -0.80 0.00 0.00 1.34 0.00 0.00 72.50 72.98 3ab4 s THR 380 CO -0.01 -0.37 0.04 -1.54 -0.54 0.00 0.00 174.62 172.20 3ab4 n SER 381 N 0.86 1.59 0.16 3.99 3.41 -0.35 -5.00 113.62 118.29 3ab4 n SER 381 Ca -0.20 -1.31 0.01 0.00 -0.26 0.00 0.00 58.87 57.12 3ab4 n SER 381 Cb 0.58 0.02 0.30 0.00 -0.26 0.00 0.00 64.21 64.84 3ab4 n SER 381 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3ab4 h GLU 382 N 0.00 0.03 0.00 4.33 4.81 -2.00 -3.16 114.58 118.59 3ab4 h GLU 382 Ca -0.06 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 3ab4 h GLU 382 Cb 0.19 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.52 3ab4 h GLU 382 CO 0.09 0.46 -0.53 0.44 -0.73 0.00 0.00 179.01 178.75 3ab4 n ILE 383 N -4.02 1.87 -3.68 2.32 -5.35 -1.26 -3.82 119.36 105.42 3ab4 n ILE 383 Ca -0.02 -2.84 -0.12 0.00 -0.27 0.00 0.00 62.75 59.51 3ab4 n ILE 383 Cb 0.47 -0.07 -0.09 0.00 -1.74 0.00 0.00 39.64 38.20 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 -2.76 0.58 -0.07 6.28 3.52 -1.20 -1.82 118.95 123.48 3ab4 s ARG 384 Ca 0.36 0.84 0.05 0.00 -0.13 0.00 0.00 55.73 56.85 3ab4 s ARG 384 Cb 0.36 0.20 -0.00 0.00 -1.56 0.00 0.00 34.95 33.95 3ab4 s ARG 384 CO -0.07 -0.11 -0.23 -1.50 -0.81 0.00 0.00 175.30 172.58 3ab4 s ILE 385 N 0.78 1.92 0.03 4.11 1.10 -0.83 -1.21 121.20 127.10 3ab4 s ILE 385 Ca -0.04 -0.97 0.06 0.00 -0.51 0.00 0.00 60.65 59.19 3ab4 s ILE 385 Cb -0.05 -1.65 -0.02 0.00 0.15 0.00 0.00 42.46 40.89 3ab4 s ILE 385 CO -0.06 0.53 -0.18 -0.44 -2.11 0.00 0.00 174.94 172.68 3ab4 s SER 386 N 0.12 2.16 -0.00 4.50 0.01 0.59 -1.33 113.70 119.74 3ab4 s SER 386 Ca -0.10 -0.46 0.01 0.00 1.31 0.00 0.00 55.95 56.71 3ab4 s SER 386 Cb -0.15 -0.18 -0.00 0.00 0.21 0.00 0.00 66.02 65.89 3ab4 s SER 386 CO 0.06 0.14 -0.03 -0.69 0.41 0.00 0.00 173.24 173.13 3ab4 s VAL 387 N -0.72 0.26 -0.06 3.43 1.01 -0.24 -1.06 120.40 123.01 3ab4 s VAL 387 Ca 0.06 -0.13 -0.11 0.00 0.00 0.00 0.00 61.98 61.80 3ab4 s VAL 387 Cb -0.08 -0.23 -0.05 0.00 0.00 0.00 0.00 36.38 36.02 3ab4 s VAL 387 CO 0.01 0.08 0.27 -0.76 0.00 0.00 0.00 175.10 174.71 3ab4 s LEU 388 N -0.01 4.42 0.33 3.92 1.43 -0.81 -1.50 118.68 126.47 3ab4 s LEU 388 Ca 0.01 0.71 -0.05 0.00 -1.03 0.00 0.00 54.13 53.76 3ab4 s LEU 388 Cb -0.02 -2.33 0.01 0.00 0.03 0.00 0.00 46.19 43.88 3ab4 s LEU 388 CO -0.00 0.36 0.50 0.27 0.23 0.00 0.00 176.35 177.70 3ab4 s ILE 389 N -0.98 0.00 0.25 -0.59 -4.36 -0.48 -1.79 121.20 113.25 3ab4 s ILE 389 Ca 0.19 -1.52 -0.30 0.00 -0.26 0.00 0.00 60.65 58.76 3ab4 s ILE 389 Cb -0.14 -2.59 -0.11 0.00 1.25 0.00 0.00 42.46 40.88 3ab4 s ILE 389 CO 0.08 0.00 1.51 -0.13 0.24 0.00 0.00 174.94 176.64 3ab4 s ARG 390 N -3.17 4.21 0.47 0.37 1.81 -1.26 0.19 118.95 121.57 3ab4 s ARG 390 Ca 0.28 2.40 0.18 0.00 -1.72 0.00 0.00 55.73 56.87 3ab4 s ARG 390 Cb -0.01 -3.09 1.17 0.00 -0.45 0.00 0.00 34.95 32.58 3ab4 s ARG 390 CO 0.17 -0.52 1.99 1.05 -0.68 0.00 0.00 175.30 177.32 3ab4 h GLU 391 N 5.21 0.24 -1.14 3.54 4.11 -1.33 -0.75 114.58 124.45 3ab4 h GLU 391 Ca -0.46 -0.01 0.33 0.00 0.07 0.00 0.00 59.36 59.29 3ab4 h GLU 391 Cb 1.22 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 30.36 3ab4 h GLU 391 CO 0.80 0.16 0.81 -0.44 0.07 0.00 0.00 179.01 180.41 3ab4 h ASP 392 N 0.24 0.05 -0.39 3.06 3.32 -1.90 -2.07 116.42 118.74 3ab4 h ASP 392 Ca 0.26 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.32 3ab4 h ASP 392 Cb 0.69 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.24 3ab4 h ASP 392 CO -0.05 0.01 0.00 0.47 -1.72 0.00 0.00 179.24 177.95 3ab4 n ASP 393 N -4.24 3.05 -0.13 6.45 8.00 -0.29 -4.69 116.55 124.69 3ab4 n ASP 393 Ca 0.25 -1.99 -0.13 0.00 0.71 0.00 0.00 54.79 53.64 3ab4 n ASP 393 Cb 1.18 -0.26 -0.02 0.00 -0.02 0.00 0.00 41.12 42.00 3ab4 n ASP 393 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3ab4 h LEU 394 N 2.36 0.98 -0.01 0.64 5.85 -1.38 -1.22 115.31 122.52 3ab4 h LEU 394 Ca 0.00 -0.44 -0.00 0.00 0.84 0.00 0.00 57.88 58.28 3ab4 h LEU 394 Cb 0.76 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 3ab4 h LEU 394 CO 0.00 1.22 -0.00 0.44 -0.34 0.00 0.00 178.44 179.75 3ab4 h ASP 395 N 0.75 0.02 -0.63 1.25 3.45 -1.84 0.13 116.42 119.55 3ab4 h ASP 395 Ca 0.08 -0.38 0.04 0.00 0.43 0.00 0.00 57.03 57.20 3ab4 h ASP 395 Cb 0.90 -0.01 -0.05 0.00 -0.56 0.00 0.00 39.33 39.62 3ab4 h ASP 395 CO 0.08 0.40 0.37 0.00 -1.57 0.00 0.00 179.24 178.52 3ab4 h ALA 396 N 0.63 0.83 -0.36 3.45 0.00 -1.89 -1.20 119.26 120.72 3ab4 h ALA 396 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.96 3ab4 h ALA 396 Cb 0.39 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3ab4 h ALA 396 CO 0.00 0.08 0.12 0.00 0.00 0.00 0.00 179.25 179.44 3ab4 h ALA 397 N 1.30 0.41 -0.36 0.00 0.00 -0.97 0.17 119.26 119.82 3ab4 h ALA 397 Ca 0.27 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 3ab4 h ALA 397 Cb 0.10 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3ab4 h ALA 397 CO -0.14 -0.28 0.22 0.00 0.00 0.00 0.00 179.25 179.05 3ab4 h ALA 398 N 1.24 0.46 -0.40 0.00 0.00 -0.30 -1.70 119.26 118.56 3ab4 h ALA 398 Ca 0.16 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3ab4 h ALA 398 Cb 0.15 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3ab4 h ALA 398 CO -0.18 -0.04 0.25 0.00 0.00 0.00 0.00 179.25 179.29 3ab4 h ARG 399 N 0.47 0.50 -0.61 0.00 -0.00 -0.86 -0.56 114.38 113.32 3ab4 h ARG 399 Ca 0.13 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.98 59.53 3ab4 h ARG 399 Cb 0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 29.97 29.84 3ab4 h ARG 399 CO -0.02 0.33 0.21 0.00 0.00 0.00 0.00 179.97 180.49 3ab4 h ALA 400 N 1.16 0.80 -0.52 0.04 0.00 -0.76 -0.59 119.26 119.39 3ab4 h ALA 400 Ca 0.15 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3ab4 h ALA 400 Cb -0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3ab4 h ALA 400 CO -0.05 0.45 0.26 -0.07 0.00 0.00 0.00 179.25 179.84 3ab4 h LEU 401 N 0.87 0.68 -1.17 0.00 4.07 -1.07 -0.68 115.31 118.01 3ab4 h LEU 401 Ca 0.20 -0.12 -0.07 0.00 0.08 0.00 0.00 57.88 57.96 3ab4 h LEU 401 Cb 0.27 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 3ab4 h LEU 401 CO -0.01 0.61 -0.19 -0.74 -1.08 0.00 0.00 178.44 177.03 3ab4 h HIS 402 N 0.70 0.37 0.08 1.13 2.76 -0.79 -2.45 115.15 116.95 3ab4 h HIS 402 Ca 0.18 -0.06 -0.25 0.00 -2.20 0.00 0.00 60.37 58.04 3ab4 h HIS 402 Cb 0.11 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 28.96 3ab4 h HIS 402 CO -0.01 0.52 -1.16 1.49 -1.30 0.00 0.00 177.93 177.48 3ab4 h GLU 403 N 0.31 0.16 0.31 5.26 4.81 -0.82 -2.55 114.58 122.07 3ab4 h GLU 403 Ca 0.06 -0.27 -0.02 0.00 -0.13 0.00 0.00 59.36 59.00 3ab4 h GLU 403 Cb 0.52 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.01 3ab4 h GLU 403 CO 0.03 1.12 -0.15 0.37 -0.73 0.00 0.00 179.01 179.66 3ab4 h GLN 404 N 0.04 -0.40 -5.72 1.92 5.75 -0.96 -3.38 115.11 112.36 3ab4 h GLN 404 Ca -0.09 0.03 -0.59 0.00 -0.15 0.00 0.00 58.65 57.84 3ab4 h GLN 404 Cb 1.89 0.09 -0.09 0.00 1.07 0.00 0.00 27.48 30.44 3ab4 h GLN 404 CO 0.17 -0.09 0.28 -0.06 -2.65 0.00 0.00 178.83 176.48 3ab4 s PHE 405 N -4.71 3.35 -1.23 3.99 0.08 -0.94 -4.93 117.98 113.59 3ab4 s PHE 405 Ca -0.14 1.03 -0.12 0.00 0.12 0.00 0.00 56.93 57.81 3ab4 s PHE 405 Cb 0.02 -2.92 -0.06 0.00 -0.57 0.00 0.00 43.02 39.49 3ab4 s PHE 405 CO 0.55 -0.28 2.35 1.04 -0.10 0.00 0.00 175.22 178.77 3ab4 n GLN 406 N 5.49 2.62 -2.09 0.44 1.13 -1.26 -4.54 117.38 119.17 3ab4 n GLN 406 Ca 0.02 -2.04 -0.32 0.00 -1.94 0.00 0.00 57.00 52.72 3ab4 n GLN 406 Cb 0.49 -2.86 0.00 0.00 0.11 0.00 0.00 30.24 27.98 3ab4 n GLN 406 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3ab4 s LEU 407 N 0.87 3.49 0.00 1.08 1.43 -0.96 -5.07 118.68 119.52 3ab4 s LEU 407 Ca 0.54 1.70 0.00 0.00 -1.03 0.00 0.00 54.13 55.34 3ab4 s LEU 407 Cb 0.14 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.84 3ab4 s LEU 407 CO -0.02 -1.01 0.00 0.61 0.23 0.00 0.00 176.35 176.16