#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n4u s ARG 2 N 0.00 2.79 0.38 0.03 3.52 0.86 -5.03 118.95 121.51 3n4u s ARG 2 Ca 0.00 -0.72 0.08 0.00 -0.13 0.00 0.00 55.73 54.95 3n4u s ARG 2 Cb 0.00 -2.43 -0.04 0.00 -1.56 0.00 0.00 34.95 30.93 3n4u s ARG 2 CO 0.00 0.46 0.24 0.95 -0.81 0.00 0.00 175.30 176.13 3n4u s THR 3 N -0.30 2.79 -0.00 4.11 -4.23 -1.26 -4.60 115.64 112.15 3n4u s THR 3 Ca 0.02 -1.56 -0.01 0.00 -1.18 0.00 0.00 61.69 58.96 3n4u s THR 3 Cb -0.13 -3.01 -0.00 0.00 1.34 0.00 0.00 72.50 70.70 3n4u s THR 3 CO 0.03 -0.08 0.01 -0.31 -0.54 0.00 0.00 174.62 173.73 3n4u s TYR 4 N -2.47 0.04 0.46 3.99 2.02 -1.26 -5.13 117.35 115.00 3n4u s TYR 4 Ca 0.42 -0.07 0.00 0.00 -0.37 0.00 0.00 57.07 57.05 3n4u s TYR 4 Cb -0.01 -0.03 -0.00 0.00 -0.40 0.00 0.00 41.96 41.51 3n4u s TYR 4 CO 0.25 -0.06 0.68 0.95 -1.57 0.00 0.00 175.55 175.80 3n4u s THR 5 N -0.33 3.91 0.32 -0.71 -4.23 -1.26 -5.01 115.64 108.33 3n4u s THR 5 Ca -0.04 -0.51 0.02 0.00 -1.18 0.00 0.00 61.69 59.99 3n4u s THR 5 Cb -0.02 -3.45 0.16 0.00 1.34 0.00 0.00 72.50 70.54 3n4u s THR 5 CO -0.00 -0.31 1.87 -0.26 -0.54 0.00 0.00 174.62 175.37 3n4u h PHE 6 N 0.38 0.66 -0.35 3.99 0.04 -2.01 -2.44 116.94 117.21 3n4u h PHE 6 Ca -0.46 -0.06 -0.03 0.00 2.80 0.00 0.00 57.97 60.22 3n4u h PHE 6 Cb 1.26 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 39.20 3n4u h PHE 6 CO 0.45 0.59 0.09 0.22 -0.60 0.00 0.00 178.31 179.06 3n4u h ASP 7 N 0.62 0.53 -0.72 2.17 3.58 -1.99 -0.84 116.42 119.77 3n4u h ASP 7 Ca 0.14 -0.23 0.03 0.00 0.42 0.00 0.00 57.03 57.39 3n4u h ASP 7 Cb 0.29 -0.14 -0.05 0.00 1.72 0.00 0.00 39.33 41.15 3n4u h ASP 7 CO 0.00 0.62 0.45 1.56 -2.88 0.00 0.00 179.24 178.99 3n4u h GLN 8 N 0.41 0.85 0.69 0.28 4.20 -1.91 0.48 115.11 120.11 3n4u h GLN 8 Ca 0.11 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.74 3n4u h GLN 8 Cb 0.30 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.89 3n4u h GLN 8 CO 0.00 0.56 -0.37 0.28 -0.67 0.00 0.00 178.83 178.63 3n4u h VAL 9 N 0.87 0.25 -0.52 -0.54 2.07 -1.20 -1.77 116.25 115.40 3n4u h VAL 9 Ca 0.29 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.89 3n4u h VAL 9 Cb 0.04 0.25 -0.06 0.00 -1.52 0.00 0.00 31.29 29.99 3n4u h VAL 9 CO -0.12 0.00 0.17 -0.33 0.02 0.00 0.00 177.57 177.31 3n4u h GLU 10 N -0.98 0.32 -0.66 1.57 5.08 -0.92 -2.28 114.58 116.72 3n4u h GLU 10 Ca -0.09 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.27 3n4u h GLU 10 Cb 0.77 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.91 3n4u h GLU 10 CO 0.13 0.21 0.42 0.87 -1.00 0.00 0.00 179.01 179.64 3n4u h LYS 11 N 0.33 0.81 -0.85 2.33 6.56 -0.86 -1.16 116.57 123.72 3n4u h LYS 11 Ca 0.26 -0.05 -0.01 0.00 -1.06 0.00 0.00 60.65 59.79 3n4u h LYS 11 Cb 0.31 -0.18 -0.04 0.00 -0.57 0.00 0.00 32.23 31.74 3n4u h LYS 11 CO -0.28 0.54 0.50 0.00 -2.06 0.00 0.00 179.45 178.15 3n4u h ALA 12 N 1.26 1.09 -0.13 3.86 0.00 -0.87 -1.00 119.26 123.48 3n4u h ALA 12 Ca 0.25 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 3n4u h ALA 12 Cb -0.03 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.41 3n4u h ALA 12 CO -0.08 0.56 -0.22 0.82 0.00 0.00 0.00 179.25 180.33 3n4u h ILE 13 N 1.17 1.37 -0.70 0.00 2.04 -1.06 -3.17 117.51 117.17 3n4u h ILE 13 Ca 0.30 -1.48 0.00 0.00 1.00 0.00 0.00 64.86 64.68 3n4u h ILE 13 Cb -0.02 2.03 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 3n4u h ILE 13 CO -0.05 0.43 0.44 -0.33 0.00 0.00 0.00 178.15 178.64 3n4u h GLU 14 N -0.04 0.93 -0.84 2.37 5.08 -1.17 0.43 114.58 121.35 3n4u h GLU 14 Ca 0.01 -0.07 0.08 0.00 -1.00 0.00 0.00 59.36 58.37 3n4u h GLU 14 Cb 0.80 -0.20 -0.07 0.00 0.50 0.00 0.00 28.75 29.78 3n4u h GLU 14 CO 0.05 0.64 0.51 0.37 -1.00 0.00 0.00 179.01 179.57 3n4u h GLN 15 N 0.95 0.87 0.00 2.33 5.75 -1.16 -2.46 115.11 121.39 3n4u h GLN 15 Ca 0.25 -0.05 -0.14 0.00 -0.15 0.00 0.00 58.65 58.56 3n4u h GLN 15 Cb -0.07 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 28.26 3n4u h GLN 15 CO -0.05 0.57 -1.68 1.28 -2.65 0.00 0.00 178.83 176.30 3n4u n LEU 16 N -4.67 0.49 -3.42 -2.39 4.77 -0.87 -4.62 117.00 106.29 3n4u n LEU 16 Ca 0.13 0.21 -0.26 0.00 -0.03 0.00 0.00 56.01 56.06 3n4u n LEU 16 Cb 0.22 0.12 -0.09 0.00 -2.33 0.00 0.00 43.42 41.34 3n4u n LEU 16 CO 0.29 0.13 -0.21 -1.22 -1.33 0.00 0.00 177.39 175.06 3n4u n TYR 17 N -2.69 0.62 -0.02 -1.77 4.01 0.15 -4.97 117.16 112.48 3n4u n TYR 17 Ca -0.11 -3.68 0.10 0.00 -0.16 0.00 0.00 57.90 54.04 3n4u n TYR 17 Cb 0.80 -0.20 0.50 0.00 -0.31 0.00 0.00 39.34 40.13 3n4u n TYR 17 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3n4u h PRO 18 N 4.85 0.39 -0.66 -0.72 0.11 -1.68 -2.31 132.00 131.99 3n4u h PRO 18 Ca 0.18 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3n4u h PRO 18 Cb 0.84 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.86 3n4u h PRO 18 CO 0.53 0.25 0.00 -0.25 -0.21 0.00 0.00 178.00 178.32 3n4u n ASP 19 N -4.47 3.67 -4.36 -2.05 8.00 -1.26 -4.71 116.55 111.36 3n4u n ASP 19 Ca 0.07 -2.00 -0.45 0.00 0.71 0.00 0.00 54.79 53.12 3n4u n ASP 19 Cb 0.26 -0.44 -0.05 0.00 -0.02 0.00 0.00 41.12 40.87 3n4u n ASP 19 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3n4u s PHE 20 N -1.12 3.09 -0.06 1.24 5.36 -0.87 -5.05 117.98 120.57 3n4u s PHE 20 Ca 0.46 -1.00 -0.29 0.00 -0.96 0.00 0.00 56.93 55.13 3n4u s PHE 20 Cb 0.24 -3.84 -0.02 0.00 -0.34 0.00 0.00 43.02 39.06 3n4u s PHE 20 CO 0.32 -1.15 0.98 0.99 -1.46 0.00 0.00 175.22 174.89 3n4u s THR 21 N 2.30 4.83 -0.45 0.12 2.01 -1.26 -4.87 115.64 118.33 3n4u s THR 21 Ca 0.09 2.02 -0.19 0.00 0.31 0.00 0.00 61.69 63.92 3n4u s THR 21 Cb -0.25 -4.30 0.03 0.00 0.01 0.00 0.00 72.50 67.99 3n4u s THR 21 CO 0.06 0.08 0.59 -0.63 -0.69 0.00 0.00 174.62 174.03 3n4u s ILE 22 N 1.55 4.90 -0.20 1.82 1.01 -1.26 -4.91 121.20 124.11 3n4u s ILE 22 Ca 0.49 -0.16 -0.15 0.00 0.00 0.00 0.00 60.65 60.84 3n4u s ILE 22 Cb -0.19 -4.19 -0.19 0.00 0.01 0.00 0.00 42.46 37.89 3n4u s ILE 22 CO 0.22 -0.61 0.11 0.59 0.00 0.00 0.00 174.94 175.25 3n4u n ASN 23 N 6.08 1.96 -4.11 3.58 3.02 -1.26 -4.96 115.26 119.57 3n4u n ASN 23 Ca -0.04 0.31 -0.20 0.00 -0.03 0.00 0.00 54.58 54.62 3n4u n ASN 23 Cb 0.47 -0.87 -0.14 0.00 -0.61 0.00 0.00 39.78 38.63 3n4u n ASN 23 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3n4u s THR 24 N -2.45 1.01 -0.08 3.41 -4.23 -1.26 -4.99 115.64 107.05 3n4u s THR 24 Ca -0.30 -0.80 -0.04 0.00 -1.18 0.00 0.00 61.69 59.37 3n4u s THR 24 Cb 0.08 -0.90 0.04 0.00 1.34 0.00 0.00 72.50 73.06 3n4u s THR 24 CO 0.62 0.09 0.19 -0.51 -0.54 0.00 0.00 174.62 174.47 3n4u s ILE 25 N -0.64 -0.03 0.05 2.99 2.07 -1.26 -1.24 121.20 123.14 3n4u s ILE 25 Ca 0.02 0.13 -0.03 0.00 -1.41 0.00 0.00 60.65 59.36 3n4u s ILE 25 Cb -0.07 -0.29 -0.03 0.00 0.13 0.00 0.00 42.46 42.20 3n4u s ILE 25 CO 0.01 0.05 0.02 -1.83 -1.91 0.00 0.00 174.94 171.28 3n4u s GLU 26 N 0.95 0.63 -0.29 3.50 -1.05 -0.66 -5.00 118.70 116.79 3n4u s GLU 26 Ca -0.07 -1.09 -0.27 0.00 -0.15 0.00 0.00 54.97 53.39 3n4u s GLU 26 Cb -0.09 0.23 0.01 0.00 -0.44 0.00 0.00 34.13 33.84 3n4u s GLU 26 CO -0.05 -0.14 0.96 0.42 0.95 0.00 0.00 175.26 177.40 3n4u s ILE 27 N -3.63 4.66 -0.06 1.83 1.01 -1.26 -0.67 121.20 123.08 3n4u s ILE 27 Ca 0.04 1.62 0.13 0.00 0.00 0.00 0.00 60.65 62.44 3n4u s ILE 27 Cb 0.05 -4.29 -0.14 0.00 0.01 0.00 0.00 42.46 38.09 3n4u s ILE 27 CO -0.09 -0.31 0.98 -1.28 0.00 0.00 0.00 174.94 174.23 3n4u h SER 28 N 7.93 0.00 0.00 3.58 0.87 -0.82 -3.47 113.55 121.64 3n4u h SER 28 Ca -0.22 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 3n4u h SER 28 Cb 1.07 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.03 3n4u h SER 28 CO 0.96 0.77 0.00 0.61 -0.53 0.00 0.00 176.83 178.65 3n4u n GLY 29 N 1.40 -1.77 3.63 5.77 0.00 -1.16 -4.98 105.19 108.07 3n4u n GLY 29 Ca -0.08 -1.12 -0.04 0.00 0.00 0.00 0.00 46.02 44.78 3n4u n GLY 29 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3n4u s GLU 30 N -1.89 0.61 0.00 1.61 2.12 -1.26 -1.28 118.70 118.62 3n4u s GLU 30 Ca 0.00 1.22 0.00 0.00 0.36 0.00 0.00 54.97 56.55 3n4u s GLU 30 Cb 0.00 0.39 0.00 0.00 0.26 0.00 0.00 34.13 34.78 3n4u s GLU 30 CO 0.00 -0.16 0.00 0.41 -0.54 0.00 0.00 175.26 174.97 3n4u n GLY 31 N 4.66 6.66 0.17 -1.50 0.00 -0.76 -5.03 105.19 109.39 3n4u n GLY 31 Ca -0.17 -1.97 0.04 0.00 0.00 0.00 0.00 46.02 43.92 3n4u n GLY 31 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 3n4u h ASN 32 N 0.00 0.00 0.00 1.61 7.08 -2.04 -3.37 115.58 118.86 3n4u h ASN 32 Ca 0.00 0.00 -0.37 0.00 -3.08 0.00 0.00 56.30 52.85 3n4u h ASN 32 Cb 0.00 0.00 -0.07 0.00 -2.08 0.00 0.00 38.32 36.17 3n4u h ASN 32 CO 0.00 0.44 -2.40 0.47 -2.08 0.00 0.00 177.43 173.85 3n4u n ASP 33 N -3.51 1.89 -4.01 6.14 8.00 -1.26 -4.87 116.55 118.92 3n4u n ASP 33 Ca -0.00 -0.12 -0.08 0.00 0.71 0.00 0.00 54.79 55.30 3n4u n ASP 33 Cb 0.56 -0.25 -0.09 0.00 -0.02 0.00 0.00 41.12 41.32 3n4u n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3n4u s ILE 35 N -3.78 5.43 -0.17 0.00 1.01 -0.45 -1.83 121.20 121.41 3n4u s ILE 35 Ca 0.05 0.19 -0.06 0.00 0.00 0.00 0.00 60.65 60.83 3n4u s ILE 35 Cb 0.06 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 39.10 3n4u s ILE 35 CO -0.10 0.56 0.04 0.00 0.00 0.00 0.00 174.94 175.44 3n4u s ALA 36 N -0.58 3.31 -0.14 9.38 0.00 -0.40 -1.51 121.76 131.82 3n4u s ALA 36 Ca 0.13 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.33 3n4u s ALA 36 Cb -0.12 -1.81 -0.00 0.00 0.00 0.00 0.00 23.12 21.19 3n4u s ALA 36 CO 0.02 0.22 -0.17 0.71 0.00 0.00 0.00 175.76 176.55 3n4u s TYR 37 N 0.26 2.74 -0.25 0.00 2.02 0.10 -0.08 117.35 122.15 3n4u s TYR 37 Ca 0.02 -0.97 -0.20 0.00 -0.37 0.00 0.00 57.07 55.55 3n4u s TYR 37 Cb -0.13 -1.84 -0.02 0.00 -0.40 0.00 0.00 41.96 39.57 3n4u s TYR 37 CO 0.01 -0.41 0.62 -2.00 -1.57 0.00 0.00 175.55 172.20 3n4u s GLU 38 N 0.62 4.12 -0.06 -0.62 2.12 0.16 -0.84 118.70 124.19 3n4u s GLU 38 Ca -0.09 0.54 0.06 0.00 0.36 0.00 0.00 54.97 55.83 3n4u s GLU 38 Cb -0.16 -3.64 -0.01 0.00 0.26 0.00 0.00 34.13 30.58 3n4u s GLU 38 CO 0.03 -0.38 -0.25 0.42 -0.54 0.00 0.00 175.26 174.54 3n4u s ILE 39 N 2.38 2.05 -0.82 -3.70 1.01 -0.75 -1.65 121.20 119.71 3n4u s ILE 39 Ca 0.26 -1.06 0.00 0.00 0.00 0.00 0.00 60.65 59.85 3n4u s ILE 39 Cb -0.16 -1.74 0.00 0.00 0.01 0.00 0.00 42.46 40.58 3n4u s ILE 39 CO 0.09 0.57 0.00 0.59 0.00 0.00 0.00 174.94 176.18 3n4u n ASN 40 N 3.03 -3.14 0.00 3.58 3.02 -0.37 -2.31 115.26 119.06 3n4u n ASN 40 Ca -0.18 0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 3n4u n ASN 40 Cb 0.52 -2.74 0.00 0.00 -0.61 0.00 0.00 39.78 36.95 3n4u n ASN 40 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3n4u n ARG 41 N -2.62 0.00 0.00 3.52 5.12 -1.26 -4.62 116.66 116.79 3n4u n ARG 41 Ca -0.11 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.81 3n4u n ARG 41 Cb 0.56 -3.24 0.00 0.00 -1.16 0.00 0.00 32.46 28.61 3n4u n ARG 41 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 3n4u n ASP 42 N 0.00 0.31 -4.18 0.55 8.00 -1.03 -4.96 116.55 115.23 3n4u n ASP 42 Ca 0.00 -0.94 -0.20 0.00 0.71 0.00 0.00 54.79 54.37 3n4u n ASP 42 Cb 0.00 0.03 -0.12 0.00 -0.02 0.00 0.00 41.12 41.00 3n4u n ASP 42 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3n4u s PHE 43 N -0.03 1.30 -0.26 1.24 0.08 -0.98 -0.03 117.98 119.32 3n4u s PHE 43 Ca 0.00 -0.43 -0.02 0.00 0.12 0.00 0.00 56.93 56.60 3n4u s PHE 43 Cb 0.00 -0.74 0.03 0.00 -0.57 0.00 0.00 43.02 41.74 3n4u s PHE 43 CO 0.00 0.07 -0.04 0.42 -0.10 0.00 0.00 175.22 175.58 3n4u s ILE 44 N -1.17 3.01 -0.22 0.64 -1.09 0.90 -1.82 121.20 121.45 3n4u s ILE 44 Ca -0.00 -1.04 -0.11 0.00 -2.23 0.00 0.00 60.65 57.27 3n4u s ILE 44 Cb -0.10 -2.56 -0.05 0.00 -1.58 0.00 0.00 42.46 38.18 3n4u s ILE 44 CO 0.02 0.14 0.19 -0.36 -1.23 0.00 0.00 174.94 173.71 3n4u s PHE 45 N 1.33 3.35 -0.16 3.97 0.08 -0.02 -0.49 117.98 126.03 3n4u s PHE 45 Ca -0.00 0.32 -0.06 0.00 0.12 0.00 0.00 56.93 57.30 3n4u s PHE 45 Cb -0.17 -2.28 -0.04 0.00 -0.57 0.00 0.00 43.02 39.96 3n4u s PHE 45 CO -0.03 0.11 0.05 0.15 -0.10 0.00 0.00 175.22 175.40 3n4u s LYS 46 N 0.92 3.78 -0.10 0.44 1.02 0.23 -0.72 119.74 125.31 3n4u s LYS 46 Ca 0.10 -0.34 0.02 0.00 0.02 0.00 0.00 55.97 55.76 3n4u s LYS 46 Cb -0.13 -3.14 -0.02 0.00 -0.52 0.00 0.00 37.83 34.03 3n4u s LYS 46 CO 0.04 0.37 -0.16 -0.06 -0.92 0.00 0.00 175.35 174.62 3n4u s PHE 47 N 0.08 2.72 0.22 3.18 0.08 -0.57 -1.97 117.98 121.72 3n4u s PHE 47 Ca 0.05 -0.59 -0.30 0.00 0.12 0.00 0.00 56.93 56.21 3n4u s PHE 47 Cb -0.12 -1.76 -0.08 0.00 -0.57 0.00 0.00 43.02 40.48 3n4u s PHE 47 CO 0.01 -0.15 0.99 -1.25 -0.10 0.00 0.00 175.22 174.72 3n4u s PRO 48 N 0.07 4.76 0.14 0.24 0.05 -1.26 -1.34 135.00 137.65 3n4u s PRO 48 Ca -0.06 1.57 0.23 0.00 0.05 0.00 0.00 61.00 62.78 3n4u s PRO 48 Cb -0.15 -3.28 0.15 0.00 0.05 0.00 0.00 34.50 31.28 3n4u s PRO 48 CO 0.05 0.36 1.15 1.63 0.05 0.00 0.00 177.00 180.24 3n4u n LYS 49 N 1.77 0.41 -3.89 4.56 5.02 0.85 -4.83 118.16 122.06 3n4u n LYS 49 Ca -0.01 0.08 -0.09 0.00 -2.02 0.00 0.00 58.31 56.27 3n4u n LYS 49 Cb 0.47 -1.72 -0.05 0.00 -0.02 0.00 0.00 35.03 33.71 3n4u n LYS 49 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 3n4u s HIS 50 N -3.25 0.14 0.33 2.13 -3.43 -1.26 -0.10 115.29 109.85 3n4u s HIS 50 Ca 0.03 -0.50 0.01 0.00 -0.80 0.00 0.00 55.06 53.80 3n4u s HIS 50 Cb 0.12 0.29 0.56 0.00 -1.43 0.00 0.00 32.58 32.11 3n4u s HIS 50 CO 0.76 -0.96 1.95 0.66 -2.00 0.00 0.00 174.74 175.16 3n4u h SER 51 N 2.24 0.74 -0.40 7.38 4.64 -1.93 0.17 113.55 126.40 3n4u h SER 51 Ca -0.27 -0.05 -0.03 0.00 -0.47 0.00 0.00 61.79 60.97 3n4u h SER 51 Cb 1.25 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 63.14 3n4u h SER 51 CO 0.36 0.60 0.14 -0.09 -0.87 0.00 0.00 176.83 176.98 3n4u h ARG 52 N 0.85 0.61 -0.92 4.77 9.65 -1.97 -0.14 114.38 127.24 3n4u h ARG 52 Ca 0.22 -0.12 0.07 0.00 -1.10 0.00 0.00 59.98 59.04 3n4u h ARG 52 Cb 0.02 -0.09 -0.06 0.00 -1.39 0.00 0.00 29.97 28.45 3n4u h ARG 52 CO -0.04 0.60 0.59 0.78 2.80 0.00 0.00 179.97 184.71 3n4u h GLY 53 N 0.51 1.34 1.58 2.80 0.00 -1.49 -0.79 103.07 107.01 3n4u h GLY 53 Ca 0.13 -0.42 -0.11 0.00 0.00 0.00 0.00 47.33 46.93 3n4u h GLY 53 CO -0.01 0.29 -0.35 0.23 0.00 0.00 0.00 176.54 176.71 3n4u h SER 54 N 1.03 0.49 -0.25 0.19 0.87 -0.14 -1.58 113.55 114.16 3n4u h SER 54 Ca 0.40 -0.20 -0.07 0.00 -1.23 0.00 0.00 61.79 60.69 3n4u h SER 54 Cb 0.22 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 3n4u h SER 54 CO -0.15 0.80 -0.12 0.74 -0.53 0.00 0.00 176.83 177.57 3n4u h THR 55 N 0.40 1.30 -0.77 2.23 2.02 -0.55 -1.02 112.91 116.53 3n4u h THR 55 Ca 0.05 -1.21 0.01 0.00 0.77 0.00 0.00 66.41 66.03 3n4u h THR 55 Cb 0.80 1.56 -0.04 0.00 -1.74 0.00 0.00 68.15 68.73 3n4u h THR 55 CO 0.06 0.38 0.51 0.78 0.37 0.00 0.00 175.52 177.62 3n4u h ASN 56 N 0.24 0.87 -0.31 4.18 2.35 -1.00 0.68 115.58 122.59 3n4u h ASN 56 Ca 0.05 -0.02 -0.17 0.00 -0.55 0.00 0.00 56.30 55.61 3n4u h ASN 56 Cb 0.63 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.78 3n4u h ASN 56 CO 0.04 0.63 -0.47 0.25 -1.65 0.00 0.00 177.43 176.22 3n4u h LEU 57 N 1.03 0.96 -0.53 1.61 5.85 -1.16 0.14 115.31 123.20 3n4u h LEU 57 Ca 0.28 -0.51 0.06 0.00 0.84 0.00 0.00 57.88 58.55 3n4u h LEU 57 Cb -0.10 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.60 3n4u h LEU 57 CO -0.06 1.28 0.24 0.15 -0.34 0.00 0.00 178.44 179.71 3n4u h PHE 58 N 0.66 0.44 -0.01 1.25 3.57 -0.71 -0.76 116.94 121.37 3n4u h PHE 58 Ca 0.03 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.55 3n4u h PHE 58 Cb 1.08 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.70 3n4u h PHE 58 CO 0.07 0.18 0.01 -0.91 -2.23 0.00 0.00 178.31 175.44 3n4u h ASN 59 N 0.46 0.02 -0.10 0.41 -0.26 -0.51 -1.85 115.58 113.74 3n4u h ASN 59 Ca 0.25 -0.02 0.04 0.00 -0.56 0.00 0.00 56.30 56.01 3n4u h ASN 59 Cb 0.21 -0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.41 3n4u h ASN 59 CO -0.20 0.03 -0.22 -0.08 -1.06 0.00 0.00 177.43 175.90 3n4u h GLU 60 N -0.00 -0.28 -0.29 0.81 4.81 -0.41 0.47 114.58 119.69 3n4u h GLU 60 Ca 0.00 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.32 3n4u h GLU 60 Cb 0.02 0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.38 3n4u h GLU 60 CO -0.00 -0.18 -0.31 0.28 -0.73 0.00 0.00 179.01 178.06 3n4u h VAL 61 N -0.29 0.27 -0.77 0.32 2.07 -0.99 0.15 116.25 117.03 3n4u h VAL 61 Ca 0.09 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.61 3n4u h VAL 61 Cb 0.42 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 3n4u h VAL 61 CO -0.27 0.00 0.47 0.78 0.02 0.00 0.00 177.57 178.57 3n4u h ASN 62 N -0.29 0.91 -0.43 0.57 2.35 -0.96 -1.51 115.58 116.22 3n4u h ASN 62 Ca 0.14 -0.06 -0.14 0.00 -0.55 0.00 0.00 56.30 55.69 3n4u h ASN 62 Cb 0.53 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 3n4u h ASN 62 CO -0.46 0.70 -0.27 0.40 -1.65 0.00 0.00 177.43 176.15 3n4u h ILE 63 N 1.05 1.27 -0.49 2.81 2.04 -0.35 -1.79 117.51 122.04 3n4u h ILE 63 Ca 0.28 -1.44 -0.12 0.00 1.00 0.00 0.00 64.86 64.57 3n4u h ILE 63 Cb -0.05 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 3n4u h ILE 63 CO -0.05 0.49 -0.17 -0.07 0.00 0.00 0.00 178.15 178.35 3n4u h LEU 64 N 0.82 1.00 -0.94 1.44 3.38 -0.44 -1.39 115.31 119.18 3n4u h LEU 64 Ca 0.09 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 3n4u h LEU 64 Cb 0.86 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 3n4u h LEU 64 CO 0.08 1.15 0.52 0.11 0.09 0.00 0.00 178.44 180.39 3n4u h LYS 65 N 0.83 1.27 -0.19 1.13 1.57 -1.23 -2.13 116.57 117.81 3n4u h LYS 65 Ca 0.12 -0.14 -0.13 0.00 -1.87 0.00 0.00 60.65 58.64 3n4u h LYS 65 Cb 0.74 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 3n4u h LYS 65 CO 0.06 0.91 -0.42 -0.09 -0.57 0.00 0.00 179.45 179.34 3n4u h ARG 66 N 1.28 0.46 -0.33 3.15 2.43 -0.71 -3.20 114.38 117.45 3n4u h ARG 66 Ca 0.32 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3n4u h ARG 66 Cb -0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3n4u h ARG 66 CO -0.06 0.80 0.00 0.44 -1.51 0.00 0.00 179.97 179.64 3n4u n ILE 67 N -4.02 1.78 -1.69 1.20 -5.35 -0.58 -4.97 119.36 105.73 3n4u n ILE 67 Ca -0.02 -1.48 -0.44 0.00 -0.27 0.00 0.00 62.75 60.54 3n4u n ILE 67 Cb 0.51 0.06 -0.04 0.00 -1.74 0.00 0.00 39.64 38.44 3n4u n ILE 67 CO 0.00 0.00 0.00 1.57 -1.76 0.00 0.00 176.55 176.36 3n4u n HIS 68 N 0.04 2.54 -1.49 4.28 -0.00 -0.81 -1.46 115.22 118.32 3n4u n HIS 68 Ca 0.18 0.00 -0.17 0.00 0.46 0.00 0.00 57.72 58.20 3n4u n HIS 68 Cb 0.72 -2.67 -0.07 0.00 -0.12 0.00 0.00 29.99 27.85 3n4u n HIS 68 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 3n4u n ASN 69 N 4.89 -5.06 -0.00 0.26 3.02 -1.26 -4.88 115.26 112.23 3n4u n ASN 69 Ca 0.18 0.41 0.09 0.00 -0.03 0.00 0.00 54.58 55.24 3n4u n ASN 69 Cb 0.34 -4.04 -0.12 0.00 -0.61 0.00 0.00 39.78 35.35 3n4u n ASN 69 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3n4u n LYS 70 N -2.45 0.62 -4.16 3.52 4.76 -0.54 -5.02 118.16 114.89 3n4u n LYS 70 Ca -0.17 -0.06 -0.23 0.00 -2.87 0.00 0.00 58.31 54.99 3n4u n LYS 70 Cb 0.56 -1.43 -0.06 0.00 -1.84 0.00 0.00 35.03 32.26 3n4u n LYS 70 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3n4u s LEU 71 N -3.38 3.40 0.00 -0.35 1.43 -1.26 -4.98 118.68 113.54 3n4u s LEU 71 Ca 0.03 -0.57 0.29 0.00 -1.03 0.00 0.00 54.13 52.85 3n4u s LEU 71 Cb 0.14 -1.92 1.33 0.00 0.03 0.00 0.00 46.19 45.77 3n4u s LEU 71 CO 0.80 -0.12 1.94 -2.65 0.23 0.00 0.00 176.35 176.55 3n4u n PRO 72 N -1.07 0.40 -4.41 1.29 -0.02 -1.26 -4.71 135.00 125.21 3n4u n PRO 72 Ca -0.05 -0.06 -0.27 0.00 -2.02 0.00 0.00 63.50 61.09 3n4u n PRO 72 Cb 0.59 -1.50 -0.13 0.00 -0.02 0.00 0.00 33.50 32.44 3n4u n PRO 72 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3n4u s LEU 73 N -2.65 2.29 0.42 2.45 1.43 -1.26 -5.00 118.68 116.36 3n4u s LEU 73 Ca 0.25 -0.71 -0.25 0.00 -1.03 0.00 0.00 54.13 52.39 3n4u s LEU 73 Cb 0.20 -1.11 -0.08 0.00 0.03 0.00 0.00 46.19 45.22 3n4u s LEU 73 CO 0.49 0.15 1.25 -2.84 0.23 0.00 0.00 176.35 175.63 3n4u s PRO 74 N -1.90 3.93 0.25 1.29 0.02 -1.26 -4.80 135.00 132.52 3n4u s PRO 74 Ca 0.11 2.03 0.05 0.00 0.02 0.00 0.00 61.00 63.21 3n4u s PRO 74 Cb -0.10 -2.67 -0.05 0.00 0.02 0.00 0.00 34.50 31.69 3n4u s PRO 74 CO 0.05 -0.48 -0.03 0.96 -0.33 0.00 0.00 177.00 177.16 3n4u s ILE 75 N -1.33 1.34 0.65 2.83 -4.36 -1.26 -1.17 121.20 117.89 3n4u s ILE 75 Ca 0.58 -2.08 -0.17 0.00 -0.26 0.00 0.00 60.65 58.72 3n4u s ILE 75 Cb -0.35 -2.38 -0.01 0.00 1.25 0.00 0.00 42.46 40.98 3n4u s ILE 75 CO 0.44 -0.33 1.24 -2.84 0.24 0.00 0.00 174.94 173.69 3n4u s PRO 76 N -3.79 2.58 -0.13 0.37 0.02 -1.26 -5.00 135.00 127.80 3n4u s PRO 76 Ca 0.28 1.89 -0.02 0.00 0.02 0.00 0.00 61.00 63.17 3n4u s PRO 76 Cb 0.05 -1.87 -0.03 0.00 0.02 0.00 0.00 34.50 32.67 3n4u s PRO 76 CO 0.10 -1.53 -0.04 -2.00 -0.33 0.00 0.00 177.00 173.20 3n4u s GLU 77 N -3.52 3.37 -0.16 5.54 2.12 -1.26 -4.93 118.70 119.87 3n4u s GLU 77 Ca 0.78 -0.51 -0.29 0.00 0.36 0.00 0.00 54.97 55.32 3n4u s GLU 77 Cb -0.33 -2.83 -0.02 0.00 0.26 0.00 0.00 34.13 31.21 3n4u s GLU 77 CO 0.39 0.41 1.37 0.08 -0.54 0.00 0.00 175.26 176.97 3n4u s VAL 78 N -0.09 4.08 -0.05 3.70 1.01 -1.26 -1.47 120.40 126.32 3n4u s VAL 78 Ca 0.02 1.30 0.05 0.00 0.00 0.00 0.00 61.98 63.35 3n4u s VAL 78 Cb -0.13 -3.88 -0.07 0.00 0.00 0.00 0.00 36.38 32.30 3n4u s VAL 78 CO 0.02 -0.16 0.03 0.52 0.00 0.00 0.00 175.10 175.52 3n4u n VAL 79 N 5.53 0.37 -4.25 2.92 0.31 0.20 -4.97 118.33 118.43 3n4u n VAL 79 Ca 0.15 -0.24 -0.17 0.00 -0.01 0.00 0.00 64.34 64.07 3n4u n VAL 79 Cb 0.45 -0.74 -0.15 0.00 -0.91 0.00 0.00 33.84 32.49 3n4u n VAL 79 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3n4u s PHE 80 N -2.17 0.63 0.04 3.52 0.08 -0.76 -4.96 117.98 114.36 3n4u s PHE 80 Ca -0.03 -0.12 0.06 0.00 0.12 0.00 0.00 56.93 56.96 3n4u s PHE 80 Cb 0.02 -0.41 -0.02 0.00 -0.57 0.00 0.00 43.02 42.03 3n4u s PHE 80 CO 0.24 -0.02 -0.17 0.95 -0.10 0.00 0.00 175.22 176.13 3n4u s THR 81 N -0.12 1.35 0.00 0.64 -4.23 -1.26 0.37 115.64 112.39 3n4u s THR 81 Ca 0.02 -1.07 0.00 0.00 -1.18 0.00 0.00 61.69 59.46 3n4u s THR 81 Cb -0.03 -1.20 0.00 0.00 1.34 0.00 0.00 72.50 72.61 3n4u s THR 81 CO -0.00 0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.79 3n4u n GLY 82 N 1.91 0.72 3.42 3.99 0.00 0.98 -4.95 105.19 111.27 3n4u n GLY 82 Ca -0.17 -1.63 -0.21 0.00 0.00 0.00 0.00 46.02 44.00 3n4u n GLY 82 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3n4u s MET 83 N 0.86 1.54 0.59 1.61 -1.94 -1.26 -4.73 119.30 115.97 3n4u s MET 83 Ca 0.00 -1.78 -0.14 0.00 -1.71 0.00 0.00 55.69 52.06 3n4u s MET 83 Cb 0.00 -1.15 -0.04 0.00 2.01 0.00 0.00 34.83 35.64 3n4u s MET 83 CO 0.00 0.05 1.03 -2.14 -0.01 0.00 0.00 175.02 173.94 3n4u s PRO 84 N -3.72 3.51 -0.30 2.03 0.02 -1.25 0.01 135.00 135.29 3n4u s PRO 84 Ca 0.29 1.00 -0.10 0.00 0.02 0.00 0.00 61.00 62.21 3n4u s PRO 84 Cb 0.03 -2.07 0.18 0.00 0.02 0.00 0.00 34.50 32.67 3n4u s PRO 84 CO 0.12 -0.64 0.92 0.45 -0.33 0.00 0.00 177.00 177.51 3n4u s SER 85 N -3.31 -0.73 1.93 2.53 0.15 0.11 -4.91 113.70 109.48 3n4u s SER 85 Ca 0.60 0.48 0.00 0.00 0.70 0.00 0.00 55.95 57.73 3n4u s SER 85 Cb -0.13 1.62 0.00 0.00 -1.71 0.00 0.00 66.02 65.81 3n4u s SER 85 CO 0.41 -0.14 0.00 -0.62 1.20 0.00 0.00 173.24 174.10 3n4u n GLU 86 N 5.44 0.00 -0.05 5.44 -0.58 -1.26 -0.13 120.64 129.50 3n4u n GLU 86 Ca -0.05 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.78 3n4u n GLU 86 Cb 0.53 0.00 0.43 0.00 -0.57 0.00 0.00 31.44 31.83 3n4u n GLU 86 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3n4u n THR 87 N 0.00 0.13 -3.83 2.62 -2.24 -1.26 -4.73 114.28 104.97 3n4u n THR 87 Ca 0.00 -0.22 -0.36 0.00 -2.27 0.00 0.00 64.05 61.20 3n4u n THR 87 Cb 0.00 0.12 -0.13 0.00 -2.10 0.00 0.00 70.33 68.22 3n4u n THR 87 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3n4u s TYR 88 N -1.87 3.28 0.42 4.78 4.12 0.81 -4.61 117.35 124.29 3n4u s TYR 88 Ca 0.30 -1.72 0.24 0.00 0.02 0.00 0.00 57.07 55.92 3n4u s TYR 88 Cb 0.15 -2.27 1.35 0.00 -1.52 0.00 0.00 41.96 39.67 3n4u s TYR 88 CO 0.24 -0.79 2.05 1.96 0.02 0.00 0.00 175.55 179.04 3n4u h GLN 89 N 8.10 0.00 -2.16 -0.62 4.20 -1.82 0.30 115.11 123.12 3n4u h GLN 89 Ca -0.21 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.27 3n4u h GLN 89 Cb 1.07 0.00 -0.32 0.00 0.30 0.00 0.00 27.48 28.53 3n4u h GLN 89 CO 0.58 0.14 -0.54 1.41 -0.67 0.00 0.00 178.83 179.74 3n4u s MET 90 N -4.29 0.28 0.33 1.46 0.00 -1.26 -3.77 119.30 112.07 3n4u s MET 90 Ca -0.03 0.38 0.13 0.00 0.00 0.00 0.00 55.69 56.16 3n4u s MET 90 Cb 0.14 -0.79 0.58 0.00 0.00 0.00 0.00 34.83 34.76 3n4u s MET 90 CO 0.61 -0.66 1.73 0.66 0.00 0.00 0.00 175.02 177.36 3n4u h SER 91 N 8.24 0.00 -5.49 1.11 4.64 -0.67 -3.44 113.55 117.93 3n4u h SER 91 Ca -0.18 0.00 0.23 0.00 -0.47 0.00 0.00 61.79 61.37 3n4u h SER 91 Cb 1.15 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.15 3n4u h SER 91 CO 0.28 0.47 0.61 0.72 -0.87 0.00 0.00 176.83 178.04 3n4u s PHE 92 N -3.89 -0.09 0.00 4.77 -0.12 -1.26 -4.29 117.98 113.11 3n4u s PHE 92 Ca -0.02 -0.15 -0.12 0.00 -0.05 0.00 0.00 56.93 56.59 3n4u s PHE 92 Cb 0.13 0.61 0.01 0.00 -0.63 0.00 0.00 43.02 43.15 3n4u s PHE 92 CO 0.73 -0.64 0.25 0.00 -0.05 0.00 0.00 175.22 175.51 3n4u s ALA 93 N -2.93 -0.59 -0.10 1.99 0.00 -0.83 -0.02 121.76 119.28 3n4u s ALA 93 Ca 0.13 0.09 0.03 0.00 0.00 0.00 0.00 51.96 52.21 3n4u s ALA 93 Cb 0.01 0.14 0.01 0.00 0.00 0.00 0.00 23.12 23.27 3n4u s ALA 93 CO 0.00 -0.27 -0.20 0.20 0.00 0.00 0.00 175.76 175.49 3n4u s GLY 94 N -1.51 1.19 0.17 0.00 0.00 0.16 -0.60 107.32 106.71 3n4u s GLY 94 Ca -0.12 -0.85 0.11 0.00 0.00 0.00 0.00 44.72 43.86 3n4u s GLY 94 CO 0.02 -0.08 -0.24 -1.36 0.00 0.00 0.00 173.10 171.43 3n4u s PHE 95 N 0.62 2.24 0.20 1.90 0.08 0.35 -0.63 117.98 122.75 3n4u s PHE 95 Ca -0.13 -0.38 -0.30 0.00 0.12 0.00 0.00 56.93 56.24 3n4u s PHE 95 Cb -0.17 -1.15 -0.09 0.00 -0.57 0.00 0.00 43.02 41.05 3n4u s PHE 95 CO 0.04 0.42 1.32 -0.08 -0.10 0.00 0.00 175.22 176.82 3n4u s THR 96 N -1.47 3.17 -0.29 0.64 -1.32 -0.54 -0.07 115.64 115.76 3n4u s THR 96 Ca 0.17 0.97 -0.28 0.00 -1.21 0.00 0.00 61.69 61.34 3n4u s THR 96 Cb -0.09 -3.62 0.01 0.00 -1.51 0.00 0.00 72.50 67.30 3n4u s THR 96 CO 0.08 0.14 1.02 -0.75 -2.21 0.00 0.00 174.62 172.90 3n4u s LYS 97 N -0.13 4.11 0.05 7.08 2.20 0.96 -4.47 119.74 129.54 3n4u s LYS 97 Ca 0.57 1.07 -0.29 0.00 -0.36 0.00 0.00 55.97 56.96 3n4u s LYS 97 Cb -0.37 -3.71 -0.04 0.00 -1.51 0.00 0.00 37.83 32.20 3n4u s LYS 97 CO 0.38 -0.78 0.94 0.42 -0.36 0.00 0.00 175.35 175.95 3n4u s ILE 98 N 3.40 4.70 0.23 5.43 1.01 -1.26 -4.88 121.20 129.83 3n4u s ILE 98 Ca 0.43 1.99 -0.30 0.00 0.00 0.00 0.00 60.65 62.77 3n4u s ILE 98 Cb -0.13 -4.29 -0.09 0.00 0.01 0.00 0.00 42.46 37.96 3n4u s ILE 98 CO 0.12 0.25 1.06 -0.54 0.00 0.00 0.00 174.94 175.84 3n4u s LYS 99 N 0.45 4.67 0.00 2.79 1.02 -1.26 -4.95 119.74 122.46 3n4u s LYS 99 Ca 0.48 1.70 0.00 0.00 0.02 0.00 0.00 55.97 58.16 3n4u s LYS 99 Cb -0.22 -3.25 0.00 0.00 -0.52 0.00 0.00 37.83 33.84 3n4u s LYS 99 CO 0.28 0.22 0.00 0.41 -0.92 0.00 0.00 175.35 175.34 3n4u n GLY 100 N 1.61 0.60 3.19 -3.33 0.00 -1.26 -4.79 105.19 101.20 3n4u n GLY 100 Ca 0.00 -1.69 -0.20 0.00 0.00 0.00 0.00 46.02 44.14 3n4u n GLY 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n4u s VAL 101 N -1.46 1.23 0.30 1.61 0.11 -0.76 -4.80 120.40 116.64 3n4u s VAL 101 Ca 0.00 -1.28 -0.29 0.00 -2.93 0.00 0.00 61.98 57.49 3n4u s VAL 101 Cb 0.00 -1.15 -0.13 0.00 -1.53 0.00 0.00 36.38 33.57 3n4u s VAL 101 CO 0.00 -0.14 1.26 -2.65 -3.33 0.00 0.00 175.10 170.24 3n4u n PRO 102 N 1.40 1.93 -2.59 1.54 -0.02 -1.26 0.19 135.00 136.18 3n4u n PRO 102 Ca -0.20 0.68 -0.43 0.00 -2.02 0.00 0.00 63.50 61.53 3n4u n PRO 102 Cb 0.54 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 3n4u n PRO 102 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3n4u n LEU 103 N 1.21 4.97 -4.77 2.45 7.94 -0.46 -4.76 117.00 123.58 3n4u n LEU 103 Ca 0.07 -3.95 -0.33 0.00 -1.11 0.00 0.00 56.01 50.70 3n4u n LEU 103 Cb 0.34 -1.74 0.05 0.00 0.53 0.00 0.00 43.42 42.59 3n4u n LEU 103 CO 0.62 0.18 0.75 0.42 -1.11 0.00 0.00 177.39 178.25 3n4u s THR 104 N 4.10 3.20 0.24 1.96 -4.23 -1.26 -4.68 115.64 114.96 3n4u s THR 104 Ca 0.53 0.57 -0.05 0.00 -1.18 0.00 0.00 61.69 61.56 3n4u s THR 104 Cb 0.04 -3.09 0.20 0.00 1.34 0.00 0.00 72.50 70.98 3n4u s THR 104 CO 0.08 -0.34 1.76 -0.65 -0.54 0.00 0.00 174.62 174.93 3n4u h PRO 105 N 0.08 0.52 0.07 3.99 0.11 -1.86 0.60 132.00 135.51 3n4u h PRO 105 Ca -0.47 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.63 3n4u h PRO 105 Cb 1.25 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.20 3n4u h PRO 105 CO 0.54 0.34 -0.33 1.25 -0.21 0.00 0.00 178.00 179.60 3n4u h LEU 106 N 0.54 -0.97 -0.45 2.35 5.85 -1.94 0.17 115.31 120.87 3n4u h LEU 106 Ca 0.39 0.12 0.03 0.00 0.84 0.00 0.00 57.88 59.25 3n4u h LEU 106 Cb 0.50 0.38 -0.03 0.00 0.37 0.00 0.00 40.66 41.87 3n4u h LEU 106 CO -0.33 -0.40 0.24 0.25 -0.34 0.00 0.00 178.44 177.85 3n4u h LEU 107 N -0.52 0.36 -0.52 2.25 5.85 -1.64 -1.69 115.31 119.39 3n4u h LEU 107 Ca 0.04 0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.87 3n4u h LEU 107 Cb 0.58 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.48 3n4u h LEU 107 CO -0.23 0.26 0.13 0.25 -0.34 0.00 0.00 178.44 178.51 3n4u h LEU 108 N 0.48 0.06 -0.96 2.25 5.85 0.69 -2.88 115.31 120.80 3n4u h LEU 108 Ca 0.19 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.95 3n4u h LEU 108 Cb 0.07 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 3n4u h LEU 108 CO -0.11 0.06 0.27 0.78 -0.34 0.00 0.00 178.44 179.09 3n4u h ASN 109 N 0.28 0.94 0.21 1.25 4.21 0.20 -2.10 115.58 120.57 3n4u h ASN 109 Ca 0.26 -0.14 0.00 0.00 1.21 0.00 0.00 56.30 57.64 3n4u h ASN 109 Cb 0.34 -0.24 0.00 0.00 -1.12 0.00 0.00 38.32 37.30 3n4u h ASN 109 CO -0.32 0.84 0.00 0.59 -1.29 0.00 0.00 177.43 177.25 3n4u n ASN 110 N -4.30 0.00 -4.78 5.81 3.02 -0.82 -4.83 115.26 109.36 3n4u n ASN 110 Ca 0.06 -0.61 -0.37 0.00 -0.03 0.00 0.00 54.58 53.63 3n4u n ASN 110 Cb 0.18 -0.11 -0.04 0.00 -0.61 0.00 0.00 39.78 39.20 3n4u n ASN 110 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3n4u s LEU 111 N -2.22 4.17 1.00 3.41 1.02 -0.79 -5.01 118.68 120.25 3n4u s LEU 111 Ca 0.37 2.08 -0.15 0.00 0.02 0.00 0.00 54.13 56.46 3n4u s LEU 111 Cb 0.20 -4.14 0.03 0.00 0.02 0.00 0.00 46.19 42.30 3n4u s LEU 111 CO 0.38 -0.50 0.11 -2.65 0.02 0.00 0.00 176.35 173.71 3n4u n PRO 112 N 0.01 -0.61 -0.07 1.29 -0.02 -1.26 -4.68 135.00 129.66 3n4u n PRO 112 Ca 0.05 -0.15 -0.13 0.00 -2.02 0.00 0.00 63.50 61.25 3n4u n PRO 112 Cb 0.49 -1.70 -0.06 0.00 -0.02 0.00 0.00 33.50 32.21 3n4u n PRO 112 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3n4u h LYS 113 N -1.63 0.46 -0.71 -0.52 1.63 -1.95 -1.71 116.57 112.15 3n4u h LYS 113 Ca -0.46 -0.25 0.07 0.00 -0.85 0.00 0.00 60.65 59.16 3n4u h LYS 113 Cb 1.31 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.91 3n4u h LYS 113 CO 0.34 0.82 0.47 1.96 -3.45 0.00 0.00 179.45 179.59 3n4u h GLN 114 N 0.13 0.68 0.01 1.90 4.20 -2.00 -1.83 115.11 118.19 3n4u h GLN 114 Ca 0.03 -0.04 -0.19 0.00 0.06 0.00 0.00 58.65 58.51 3n4u h GLN 114 Cb 0.74 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 3n4u h GLN 114 CO 0.05 0.45 -0.88 0.77 -0.67 0.00 0.00 178.83 178.55 3n4u h SER 115 N 0.70 0.14 -0.64 1.46 0.02 -1.86 -1.92 113.55 111.45 3n4u h SER 115 Ca 0.31 -0.12 -0.07 0.00 -0.84 0.00 0.00 61.79 61.07 3n4u h SER 115 Cb 0.31 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.78 3n4u h SER 115 CO -0.10 0.95 0.12 1.56 -1.14 0.00 0.00 176.83 178.22 3n4u h GLN 116 N 0.05 1.07 -0.41 3.45 4.20 -0.67 -2.47 115.11 120.32 3n4u h GLN 116 Ca -0.03 -0.27 -0.14 0.00 0.06 0.00 0.00 58.65 58.27 3n4u h GLN 116 Cb 1.53 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 29.17 3n4u h GLN 116 CO 0.13 0.97 -0.28 -0.91 -0.67 0.00 0.00 178.83 178.06 3n4u h ASN 117 N 1.01 0.93 -0.34 1.46 -0.26 -1.22 -2.80 115.58 114.35 3n4u h ASN 117 Ca 0.20 -0.38 -0.07 0.00 -0.56 0.00 0.00 56.30 55.50 3n4u h ASN 117 Cb 0.41 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 37.39 3n4u h ASN 117 CO 0.01 1.15 -0.03 -0.61 -1.06 0.00 0.00 177.43 176.89 3n4u h GLN 118 N 0.76 0.72 -0.42 0.81 5.75 -1.27 -2.09 115.11 119.37 3n4u h GLN 118 Ca 0.09 -0.20 -0.04 0.00 -0.15 0.00 0.00 58.65 58.36 3n4u h GLN 118 Cb 0.85 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 29.30 3n4u h GLN 118 CO 0.07 0.75 0.12 0.00 -2.65 0.00 0.00 178.83 177.13 3n4u h ALA 119 N 1.30 0.55 -0.50 3.38 0.00 -1.32 0.64 119.26 123.31 3n4u h ALA 119 Ca 0.13 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.90 3n4u h ALA 119 Cb 0.46 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 3n4u h ALA 119 CO 0.02 0.21 0.26 0.00 0.00 0.00 0.00 179.25 179.74 3n4u h ALA 120 N 0.97 0.64 -0.11 0.00 0.00 -1.27 -1.60 119.26 117.90 3n4u h ALA 120 Ca 0.13 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3n4u h ALA 120 Cb 0.28 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3n4u h ALA 120 CO -0.00 -0.09 0.05 0.87 0.00 0.00 0.00 179.25 180.08 3n4u h LYS 121 N 0.50 0.16 -0.93 0.00 1.57 -0.99 -1.72 116.57 115.16 3n4u h LYS 121 Ca 0.22 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.98 3n4u h LYS 121 Cb 0.12 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.35 3n4u h LYS 121 CO -0.15 0.25 0.62 -0.44 -0.57 0.00 0.00 179.45 179.16 3n4u h ASP 122 N 0.03 1.06 -0.41 0.86 3.32 -0.74 -0.89 116.42 119.65 3n4u h ASP 122 Ca 0.04 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 3n4u h ASP 122 Cb 0.15 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 3n4u h ASP 122 CO -0.00 0.76 0.09 -0.07 -1.72 0.00 0.00 179.24 178.30 3n4u h LEU 123 N 1.25 0.63 -0.19 1.55 4.07 -1.24 -0.78 115.31 120.60 3n4u h LEU 123 Ca 0.35 -0.24 0.02 0.00 0.08 0.00 0.00 57.88 58.08 3n4u h LEU 123 Cb -0.13 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 41.43 3n4u h LEU 123 CO -0.08 0.71 0.08 0.00 -1.08 0.00 0.00 178.44 178.07 3n4u h ALA 124 N 0.95 0.22 -0.36 1.53 0.00 -0.85 -1.13 119.26 119.62 3n4u h ALA 124 Ca 0.13 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 3n4u h ALA 124 Cb 0.33 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3n4u h ALA 124 CO 0.00 -0.34 -0.06 -0.09 0.00 0.00 0.00 179.25 178.76 3n4u h ARG 125 N 0.18 0.59 0.17 0.00 2.43 -1.08 -0.77 114.38 115.90 3n4u h ARG 125 Ca 0.08 -0.16 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 3n4u h ARG 125 Cb 0.04 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 3n4u h ARG 125 CO -0.07 0.66 -0.08 0.35 -1.51 0.00 0.00 179.97 179.32 3n4u h PHE 126 N 0.55 -0.21 -0.40 2.20 3.57 -0.81 -2.57 116.94 119.27 3n4u h PHE 126 Ca 0.11 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.54 3n4u h PHE 126 Cb 0.45 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 3n4u h PHE 126 CO 0.02 -0.07 -0.01 -0.07 -2.23 0.00 0.00 178.31 175.95 3n4u h LEU 127 N -0.30 0.60 -0.04 0.59 3.38 -0.99 -1.33 115.31 117.22 3n4u h LEU 127 Ca -0.02 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3n4u h LEU 127 Cb 0.24 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3n4u h LEU 127 CO 0.04 0.68 0.03 -1.28 0.09 0.00 0.00 178.44 178.00 3n4u h SER 128 N 0.60 0.05 -0.29 -0.43 0.87 -1.08 0.11 113.55 113.39 3n4u h SER 128 Ca 0.12 -0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.54 3n4u h SER 128 Cb 0.39 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 3n4u h SER 128 CO 0.01 0.05 -0.26 -0.33 -0.53 0.00 0.00 176.83 175.77 3n4u h GLU 129 N 0.05 0.79 -0.17 2.24 4.39 -1.29 -2.46 114.58 118.12 3n4u h GLU 129 Ca 0.02 -0.34 -0.00 0.00 0.34 0.00 0.00 59.36 59.37 3n4u h GLU 129 Cb 0.01 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 3n4u h GLU 129 CO -0.00 0.96 0.10 1.25 -1.16 0.00 0.00 179.01 180.16 3n4u h LEU 130 N 0.68 0.21 0.00 1.33 5.85 -1.00 -2.45 115.31 119.92 3n4u h LEU 130 Ca 0.08 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3n4u h LEU 130 Cb 0.79 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.77 3n4u h LEU 130 CO 0.07 0.21 0.00 1.41 -0.34 0.00 0.00 178.44 179.78 3n4u n HIS 131 N -4.93 0.00 1.07 1.25 8.25 0.36 -2.34 115.22 118.88 3n4u n HIS 131 Ca -0.04 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.54 3n4u n HIS 131 Cb 0.06 -0.42 0.10 0.00 1.12 0.00 0.00 29.99 30.85 3n4u n HIS 131 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3n4u n SER 132 N -1.42 1.90 -4.72 0.41 3.41 -0.93 -4.62 113.62 107.65 3n4u n SER 132 Ca 0.06 -1.43 -0.42 0.00 -0.26 0.00 0.00 58.87 56.82 3n4u n SER 132 Cb 0.20 0.35 -0.03 0.00 -0.26 0.00 0.00 64.21 64.47 3n4u n SER 132 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3n4u s ILE 133 N -2.42 2.75 0.16 -1.33 1.01 -0.99 -4.92 121.20 115.45 3n4u s ILE 133 Ca 0.21 0.54 -0.33 0.00 0.00 0.00 0.00 60.65 61.08 3n4u s ILE 133 Cb 0.19 -3.35 -0.13 0.00 0.01 0.00 0.00 42.46 39.18 3n4u s ILE 133 CO 0.53 0.05 1.68 -3.20 0.00 0.00 0.00 174.94 174.00 3n4u n ASN 134 N 3.83 3.57 -0.68 3.58 2.85 -1.26 -4.61 115.26 122.54 3n4u n ASN 134 Ca 0.13 1.06 0.11 0.00 -0.11 0.00 0.00 54.58 55.77 3n4u n ASN 134 Cb 0.39 -1.49 0.04 0.00 1.24 0.00 0.00 39.78 39.96 3n4u n ASN 134 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3n4u n ILE 135 N 3.88 0.00 -0.19 -1.44 0.13 -1.26 -4.62 119.36 115.86 3n4u n ILE 135 Ca 0.17 -0.37 0.01 0.00 -1.10 0.00 0.00 62.75 61.46 3n4u n ILE 135 Cb 0.32 1.35 0.26 0.00 -0.84 0.00 0.00 39.64 40.74 3n4u n ILE 135 CO 0.00 0.00 0.00 0.28 2.80 0.00 0.00 176.55 179.63 3n4u h SER 136 N 3.34 0.81 -0.98 9.51 0.02 -2.03 -3.03 113.55 121.20 3n4u h SER 136 Ca 0.00 -0.03 -0.63 0.00 -0.84 0.00 0.00 61.79 60.29 3n4u h SER 136 Cb 0.84 -0.20 -0.30 0.00 0.14 0.00 0.00 62.40 62.88 3n4u h SER 136 CO 0.00 0.60 0.74 0.61 -1.14 0.00 0.00 176.83 177.64 3n4u n GLY 137 N -1.39 5.57 3.70 -3.77 0.00 -1.26 -4.93 105.19 103.10 3n4u n GLY 137 Ca 0.07 -2.02 -0.34 0.00 0.00 0.00 0.00 46.02 43.73 3n4u n GLY 137 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3n4u s PHE 138 N -3.69 3.14 0.63 1.61 0.08 -1.15 -5.11 117.98 113.50 3n4u s PHE 138 Ca 0.62 0.15 -0.17 0.00 0.12 0.00 0.00 56.93 57.65 3n4u s PHE 138 Cb 0.50 -1.73 -0.02 0.00 -0.57 0.00 0.00 43.02 41.20 3n4u s PHE 138 CO 0.02 0.48 1.18 0.15 -0.10 0.00 0.00 175.22 176.95 3n4u s LYS 139 N -1.29 2.81 0.59 0.44 1.02 -1.26 -4.89 119.74 117.15 3n4u s LYS 139 Ca 0.17 1.72 0.35 0.00 0.02 0.00 0.00 55.97 58.23 3n4u s LYS 139 Cb -0.11 -1.92 1.83 0.00 -0.52 0.00 0.00 37.83 37.11 3n4u s LYS 139 CO 0.07 -1.31 2.19 0.66 -0.92 0.00 0.00 175.35 176.05 3n4u h SER 140 N 0.54 0.00 1.03 2.83 4.64 -1.99 -2.09 113.55 118.50 3n4u h SER 140 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3n4u h SER 140 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3n4u h SER 140 CO 0.54 0.04 0.00 -0.46 -0.87 0.00 0.00 176.83 176.08 3n4u n ASN 141 N -3.41 0.75 0.00 4.97 0.23 -1.26 -1.60 115.26 114.94 3n4u n ASN 141 Ca -0.02 0.64 0.14 0.00 -0.53 0.00 0.00 54.58 54.81 3n4u n ASN 141 Cb 0.17 -0.82 0.63 0.00 -2.08 0.00 0.00 39.78 37.68 3n4u n ASN 141 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 3n4u n LEU 142 N -2.28 0.00 -4.54 -4.53 4.77 -0.79 -4.66 117.00 104.97 3n4u n LEU 142 Ca 0.03 0.48 -0.43 0.00 -0.03 0.00 0.00 56.01 56.07 3n4u n LEU 142 Cb 0.31 -0.48 -0.05 0.00 -2.33 0.00 0.00 43.42 40.87 3n4u n LEU 142 CO 0.24 -0.00 0.64 -0.69 -1.33 0.00 0.00 177.39 176.24 3n4u s VAL 143 N -2.97 4.56 0.42 4.08 1.01 -0.63 -0.59 120.40 126.29 3n4u s VAL 143 Ca 0.15 0.44 -0.25 0.00 0.00 0.00 0.00 61.98 62.32 3n4u s VAL 143 Cb 0.19 -4.39 -0.08 0.00 0.00 0.00 0.00 36.38 32.10 3n4u s VAL 143 CO 0.52 -0.83 1.22 -0.76 0.00 0.00 0.00 175.10 175.25 3n4u s LEU 144 N 3.51 4.15 -0.32 3.92 1.43 0.28 -4.97 118.68 126.67 3n4u s LEU 144 Ca 0.31 2.45 0.03 0.00 -1.03 0.00 0.00 54.13 55.90 3n4u s LEU 144 Cb -0.12 -4.04 0.09 0.00 0.03 0.00 0.00 46.19 42.15 3n4u s LEU 144 CO 0.22 -0.83 0.02 -0.62 0.23 0.00 0.00 176.35 175.38 3n4u s ASP 145 N -1.05 4.72 0.48 2.29 -1.08 -1.26 -4.85 116.67 115.92 3n4u s ASP 145 Ca 0.59 -1.97 0.16 0.00 -0.52 0.00 0.00 52.55 50.81 3n4u s ASP 145 Cb -0.33 -1.62 1.16 0.00 -1.46 0.00 0.00 42.92 40.67 3n4u s ASP 145 CO 0.41 -0.34 2.07 0.15 0.52 0.00 0.00 175.17 177.98 3n4u h PHE 146 N 7.67 0.20 -0.76 -5.34 3.57 -1.95 0.72 116.94 121.05 3n4u h PHE 146 Ca -0.08 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.43 3n4u h PHE 146 Cb 1.03 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.66 3n4u h PHE 146 CO 0.51 0.11 0.50 0.00 -2.23 0.00 0.00 178.31 177.20 3n4u h ARG 147 N 0.20 0.99 -0.35 1.11 3.08 -1.97 0.15 114.38 117.60 3n4u h ARG 147 Ca 0.14 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.13 3n4u h ARG 147 Cb 0.30 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 3n4u h ARG 147 CO -0.02 0.66 0.22 1.49 -1.07 0.00 0.00 179.97 181.25 3n4u h GLU 148 N 1.02 0.47 -0.09 0.04 4.81 -1.31 -1.19 114.58 118.33 3n4u h GLU 148 Ca 0.28 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.47 3n4u h GLU 148 Cb -0.11 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.16 3n4u h GLU 148 CO -0.06 0.34 0.05 -0.22 -0.73 0.00 0.00 179.01 178.39 3n4u h LYS 149 N 0.47 0.13 -0.52 1.92 1.63 -0.88 -1.76 116.57 117.55 3n4u h LYS 149 Ca 0.13 -0.01 0.09 0.00 -0.85 0.00 0.00 60.65 60.01 3n4u h LYS 149 Cb -0.02 -0.03 -0.07 0.00 -0.60 0.00 0.00 32.23 31.51 3n4u h LYS 149 CO -0.03 0.14 0.09 0.82 -3.45 0.00 0.00 179.45 177.02 3n4u h ILE 150 N 0.08 0.69 -0.01 2.00 2.04 -0.63 -0.75 117.51 120.93 3n4u h ILE 150 Ca 0.03 -0.08 -0.10 0.00 1.00 0.00 0.00 64.86 65.72 3n4u h ILE 150 Cb 0.04 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 3n4u h ILE 150 CO -0.01 0.04 -0.47 0.78 0.00 0.00 0.00 178.15 178.49 3n4u h ASN 151 N 0.22 0.02 0.01 1.72 2.35 -0.99 -1.10 115.58 117.81 3n4u h ASN 151 Ca 0.26 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 56.00 3n4u h ASN 151 Cb 0.37 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.73 3n4u h ASN 151 CO -0.36 0.49 -0.01 -0.33 -1.65 0.00 0.00 177.43 175.58 3n4u h GLU 152 N 0.02 -0.02 -0.46 0.81 5.08 -0.84 -2.63 114.58 116.54 3n4u h GLU 152 Ca -0.00 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 3n4u h GLU 152 Cb 0.84 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.04 3n4u h GLU 152 CO 0.06 0.60 0.15 -0.44 -1.00 0.00 0.00 179.01 178.38 3n4u h ASP 153 N -0.65 0.14 -0.55 1.42 3.32 -1.06 -0.04 116.42 119.00 3n4u h ASP 153 Ca -0.00 0.06 0.11 0.00 0.02 0.00 0.00 57.03 57.21 3n4u h ASP 153 Cb 0.62 0.05 -0.08 0.00 0.22 0.00 0.00 39.33 40.14 3n4u h ASP 153 CO 0.00 0.11 0.06 -1.13 -1.72 0.00 0.00 179.24 176.56 3n4u h ASN 154 N 0.31 -0.12 -0.32 6.45 -0.00 -1.26 -0.60 115.58 120.04 3n4u h ASN 154 Ca 0.22 0.12 -0.13 0.00 -0.00 0.00 0.00 56.30 56.50 3n4u h ASN 154 Cb 0.23 0.19 -0.01 0.00 -0.00 0.00 0.00 38.32 38.73 3n4u h ASN 154 CO -0.23 -0.04 -0.32 0.50 -0.00 0.00 0.00 177.43 177.34 3n4u h LYS 155 N 0.18 0.79 0.12 6.67 3.64 -1.04 -2.47 116.57 124.45 3n4u h LYS 155 Ca 0.28 -0.41 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 3n4u h LYS 155 Cb 0.42 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 3n4u h LYS 155 CO -0.41 1.04 -0.06 0.87 -2.27 0.00 0.00 179.45 178.62 3n4u h LYS 156 N 0.56 -0.15 -0.91 1.90 1.57 -0.74 -2.27 116.57 116.53 3n4u h LYS 156 Ca 0.05 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.86 3n4u h LYS 156 Cb 0.90 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 33.19 3n4u h LYS 156 CO 0.08 -0.08 0.59 0.82 -0.57 0.00 0.00 179.45 180.29 3n4u h ILE 157 N -0.18 1.19 -0.25 1.86 2.04 -1.11 0.27 117.51 121.33 3n4u h ILE 157 Ca -0.02 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 3n4u h ILE 157 Cb 0.14 -0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.12 3n4u h ILE 157 CO 0.03 0.22 0.11 0.11 0.00 0.00 0.00 178.15 178.61 3n4u h LYS 158 N 1.18 0.36 0.08 2.37 1.57 -1.31 0.22 116.57 121.04 3n4u h LYS 158 Ca 0.35 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 59.07 3n4u h LYS 158 Cb -0.06 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.18 3n4u h LYS 158 CO -0.10 0.38 -0.04 0.87 -0.57 0.00 0.00 179.45 180.00 3n4u h LYS 159 N 0.26 -0.10 -0.83 3.15 1.57 -0.98 -1.29 116.57 118.36 3n4u h LYS 159 Ca 0.08 0.01 0.21 0.00 -1.87 0.00 0.00 60.65 59.08 3n4u h LYS 159 Cb 0.14 0.02 -0.13 0.00 0.08 0.00 0.00 32.23 32.34 3n4u h LYS 159 CO -0.01 0.12 0.18 -0.07 -0.57 0.00 0.00 179.45 179.10 3n4u h LEU 160 N -0.30 -0.06 -3.07 2.94 4.07 -0.31 -2.53 115.31 116.04 3n4u h LEU 160 Ca -0.01 0.19 0.00 0.00 0.08 0.00 0.00 57.88 58.14 3n4u h LEU 160 Cb 0.26 0.27 0.00 0.00 1.08 0.00 0.00 40.66 42.27 3n4u h LEU 160 CO 0.02 -0.13 0.00 0.18 -1.08 0.00 0.00 178.44 177.42 3n4u n LEU 161 N -5.23 4.45 0.26 1.67 4.32 0.75 -4.62 117.00 118.59 3n4u n LEU 161 Ca 0.18 -2.37 0.09 0.00 -0.02 0.00 0.00 56.01 53.89 3n4u n LEU 161 Cb 0.60 -0.53 0.67 0.00 -1.62 0.00 0.00 43.42 42.53 3n4u n LEU 161 CO 0.07 0.83 1.03 0.77 -1.22 0.00 0.00 177.39 178.87 3n4u h SER 162 N 3.82 0.00 -0.48 -1.43 4.64 -0.78 -1.15 113.55 118.16 3n4u h SER 162 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3n4u h SER 162 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3n4u h SER 162 CO 0.18 0.06 0.00 0.54 -0.87 0.00 0.00 176.83 176.73 3n4u n ARG 163 N -4.29 2.56 -0.02 4.77 1.74 -1.26 -4.44 116.66 115.72 3n4u n ARG 163 Ca -0.03 -2.37 -0.03 0.00 -0.77 0.00 0.00 57.85 54.65 3n4u n ARG 163 Cb 0.14 -1.53 -0.02 0.00 -1.02 0.00 0.00 32.46 30.03 3n4u n ARG 163 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3n4u n GLU 164 N 1.53 0.11 -3.67 5.56 4.07 -0.71 -5.02 120.64 122.51 3n4u n GLU 164 Ca 0.21 0.03 -0.36 0.00 -0.06 0.00 0.00 57.16 56.97 3n4u n GLU 164 Cb 0.61 -1.09 -0.09 0.00 -0.06 0.00 0.00 31.44 30.81 3n4u n GLU 164 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 3n4u s LEU 165 N -5.28 4.14 0.79 4.31 1.43 -0.52 -5.09 118.68 118.45 3n4u s LEU 165 Ca -0.06 0.14 -0.11 0.00 -1.03 0.00 0.00 54.13 53.08 3n4u s LEU 165 Cb 0.02 -2.11 0.07 0.00 0.03 0.00 0.00 46.19 44.19 3n4u s LEU 165 CO 0.11 0.09 1.09 -0.54 0.23 0.00 0.00 176.35 177.33 3n4u s LYS 166 N 0.91 2.13 0.20 1.70 -0.14 -1.26 -4.71 119.74 118.56 3n4u s LYS 166 Ca 0.08 1.13 -0.23 0.00 -1.36 0.00 0.00 55.97 55.59 3n4u s LYS 166 Cb -0.13 -1.88 0.11 0.00 -1.68 0.00 0.00 37.83 34.24 3n4u s LYS 166 CO 0.03 -1.72 1.55 0.78 -0.76 0.00 0.00 175.35 175.22 3n4u h GLY 167 N -1.19 -0.31 1.53 -3.33 0.00 -1.98 -0.76 103.07 97.03 3n4u h GLY 167 Ca -0.44 0.64 0.02 0.00 0.00 0.00 0.00 47.33 47.55 3n4u h GLY 167 CO 0.52 -0.10 0.27 -2.55 0.00 0.00 0.00 176.54 174.67 3n4u h PRO 168 N -0.01 0.44 -0.05 4.80 0.11 -2.00 -1.44 132.00 133.85 3n4u h PRO 168 Ca 0.27 -0.03 -0.23 0.00 0.11 0.00 0.00 66.00 66.12 3n4u h PRO 168 Cb 0.52 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 31.54 3n4u h PRO 168 CO -0.96 0.29 -0.90 1.96 -0.21 0.00 0.00 178.00 178.17 3n4u h GLN 169 N 0.45 0.61 -0.29 1.05 1.08 -1.55 -3.15 115.11 113.31 3n4u h GLN 169 Ca 0.16 -0.59 -0.03 0.00 -1.45 0.00 0.00 58.65 56.74 3n4u h GLN 169 Cb 0.07 0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.64 3n4u h GLN 169 CO -0.04 1.20 0.06 1.98 -0.95 0.00 0.00 178.83 181.09 3n4u h MET 170 N 0.38 0.41 0.00 1.46 4.05 -0.23 -1.97 114.93 119.02 3n4u h MET 170 Ca -0.08 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.27 3n4u h MET 170 Cb 1.53 -0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 32.26 3n4u h MET 170 CO 0.17 0.39 -0.07 0.87 0.23 0.00 0.00 176.91 178.51 3n4u h LYS 171 N 0.41 0.00 -0.09 0.39 1.79 -1.27 -1.46 116.57 116.34 3n4u h LYS 171 Ca 0.10 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.49 3n4u h LYS 171 Cb 0.17 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.81 3n4u h LYS 171 CO -0.00 0.07 -0.28 0.87 -1.08 0.00 0.00 179.45 179.02 3n4u h LYS 172 N 0.00 0.16 0.18 3.15 1.57 -1.42 -0.58 116.57 119.63 3n4u h LYS 172 Ca -0.00 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3n4u h LYS 172 Cb 0.12 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.42 3n4u h LYS 172 CO 0.01 0.44 -0.09 0.28 -0.57 0.00 0.00 179.45 179.52 3n4u h VAL 173 N 0.15 0.92 -0.84 0.50 2.07 -1.35 -0.95 116.25 116.76 3n4u h VAL 173 Ca 0.02 -0.74 0.08 0.00 0.82 0.00 0.00 66.70 66.88 3n4u h VAL 173 Cb 0.58 1.35 -0.06 0.00 -1.52 0.00 0.00 31.29 31.65 3n4u h VAL 173 CO 0.04 0.16 0.55 0.44 0.02 0.00 0.00 177.57 178.78 3n4u h ASP 174 N -0.62 0.79 0.29 0.57 3.45 -1.43 -2.14 116.42 117.32 3n4u h ASP 174 Ca -0.03 0.01 -0.17 0.00 0.43 0.00 0.00 57.03 57.28 3n4u h ASP 174 Cb 0.46 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 39.06 3n4u h ASP 174 CO 0.04 0.49 -0.66 -0.78 -1.57 0.00 0.00 179.24 176.76 3n4u h ASP 175 N 0.89 0.40 -0.22 6.45 3.58 -1.01 -0.93 116.42 125.57 3n4u h ASP 175 Ca 0.37 -0.24 -0.02 0.00 0.42 0.00 0.00 57.03 57.56 3n4u h ASP 175 Cb 0.29 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 3n4u h ASP 175 CO -0.14 0.95 0.07 0.15 -2.88 0.00 0.00 179.24 177.39 3n4u h PHE 176 N 0.25 0.35 -0.29 0.28 3.57 -0.54 -1.31 116.94 119.25 3n4u h PHE 176 Ca -0.02 -0.04 -0.16 0.00 3.53 0.00 0.00 57.97 61.29 3n4u h PHE 176 Cb 1.21 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.84 3n4u h PHE 176 CO 0.03 0.42 -0.47 1.88 -2.23 0.00 0.00 178.31 177.94 3n4u h TYR 177 N 0.18 0.93 -0.08 0.41 -1.99 -1.44 -2.68 116.97 112.30 3n4u h TYR 177 Ca 0.07 -0.30 0.04 0.00 2.00 0.00 0.00 58.73 60.53 3n4u h TYR 177 Cb 0.23 -0.19 -0.04 0.00 2.00 0.00 0.00 36.73 38.73 3n4u h TYR 177 CO 0.00 1.09 -0.18 -0.09 -0.00 0.00 0.00 178.16 178.98 3n4u h ARG 178 N 0.61 -0.23 -0.60 4.88 2.43 -1.10 -0.06 114.38 120.30 3n4u h ARG 178 Ca 0.03 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.31 3n4u h ARG 178 Cb 1.04 0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 30.57 3n4u h ARG 178 CO 0.10 -0.16 0.22 0.22 -1.51 0.00 0.00 179.97 178.85 3n4u h ASP 179 N -0.24 0.21 -0.25 -3.80 1.82 -1.22 -1.86 116.42 111.08 3n4u h ASP 179 Ca 0.08 0.08 -0.01 0.00 -0.39 0.00 0.00 57.03 56.79 3n4u h ASP 179 Cb 0.36 0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.42 3n4u h ASP 179 CO -0.23 0.13 0.13 0.40 -1.61 0.00 0.00 179.24 178.06 3n4u h ILE 180 N 0.40 1.13 0.00 2.25 1.08 -1.09 -2.77 117.51 118.51 3n4u h ILE 180 Ca 0.30 -0.36 -0.00 0.00 -0.39 0.00 0.00 64.86 64.41 3n4u h ILE 180 Cb 0.38 0.92 -0.00 0.00 -3.07 0.00 0.00 36.82 35.05 3n4u h ILE 180 CO -0.31 0.13 -0.02 -0.07 -0.69 0.00 0.00 178.15 177.19 3n4u h LEU 181 N 0.28 0.00 -0.31 1.44 3.38 -0.38 -1.89 115.31 117.83 3n4u h LEU 181 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3n4u h LEU 181 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3n4u h LEU 181 CO -0.01 0.02 -0.06 1.21 0.09 0.00 0.00 178.44 179.69 3n4u n GLU 182 N -3.77 0.95 -3.67 1.13 4.07 -0.76 -4.76 120.64 113.83 3n4u n GLU 182 Ca -0.03 -0.31 -0.39 0.00 -0.06 0.00 0.00 57.16 56.37 3n4u n GLU 182 Cb 0.11 -1.49 -0.12 0.00 -0.06 0.00 0.00 31.44 29.88 3n4u n GLU 182 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 3n4u s ASN 183 N -2.27 5.54 0.42 4.31 3.84 -0.71 -4.97 114.94 121.10 3n4u s ASN 183 Ca 0.35 -1.05 0.10 0.00 0.21 0.00 0.00 52.86 52.48 3n4u s ASN 183 Cb 0.21 -1.95 0.90 0.00 -0.55 0.00 0.00 41.25 39.85 3n4u s ASN 183 CO 0.42 -0.36 1.99 -0.33 -2.79 0.00 0.00 177.10 176.04 3n4u h GLU 184 N 8.34 0.25 -1.20 0.43 4.39 -1.86 -2.87 114.58 122.06 3n4u h GLU 184 Ca -0.25 -0.04 0.34 0.00 0.34 0.00 0.00 59.36 59.76 3n4u h GLU 184 Cb 1.09 -0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 29.62 3n4u h GLU 184 CO 0.64 0.30 0.81 0.82 -1.16 0.00 0.00 179.01 180.42 3n4u h ILE 185 N 0.25 0.38 0.00 3.13 2.04 -1.93 0.31 117.51 121.69 3n4u h ILE 185 Ca 0.06 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3n4u h ILE 185 Cb 0.21 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 3n4u h ILE 185 CO 0.01 0.03 -0.20 -1.22 0.00 0.00 0.00 178.15 176.77 3n4u n TYR 186 N -4.44 0.72 -0.00 1.37 4.01 -1.08 -4.19 117.16 113.54 3n4u n TYR 186 Ca 0.29 0.21 0.00 0.00 -0.16 0.00 0.00 57.90 58.24 3n4u n TYR 186 Cb 1.18 -0.80 -0.01 0.00 -0.31 0.00 0.00 39.34 39.39 3n4u n TYR 186 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3n4u n PHE 187 N -2.13 0.00 -2.95 -0.72 3.01 0.84 -4.85 117.46 110.66 3n4u n PHE 187 Ca 0.05 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.07 3n4u n PHE 187 Cb 0.42 -0.06 -0.00 0.00 -0.01 0.00 0.00 39.48 39.83 3n4u n PHE 187 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 3n4u s LYS 188 N -2.09 4.03 0.25 -1.08 2.20 0.31 -4.95 119.74 118.41 3n4u s LYS 188 Ca -0.01 -2.49 0.01 0.00 -0.36 0.00 0.00 55.97 53.12 3n4u s LYS 188 Cb 0.01 -5.03 -0.05 0.00 -1.51 0.00 0.00 37.83 31.25 3n4u s LYS 188 CO 0.07 -1.76 0.11 1.52 -0.36 0.00 0.00 175.35 174.94 3n4u s TYR 189 N 1.66 1.46 -0.47 4.03 1.13 -1.26 -4.90 117.35 119.00 3n4u s TYR 189 Ca 0.41 -1.24 -0.20 0.00 -1.41 0.00 0.00 57.07 54.63 3n4u s TYR 189 Cb -0.03 -0.82 0.04 0.00 -1.10 0.00 0.00 41.96 40.04 3n4u s TYR 189 CO -0.01 -0.42 0.65 0.71 -2.51 0.00 0.00 175.55 173.96 3n4u s TYR 190 N -3.83 3.04 0.54 -3.49 2.02 -1.26 -5.04 117.35 109.33 3n4u s TYR 190 Ca 0.38 -0.25 -0.22 0.00 -0.37 0.00 0.00 57.07 56.61 3n4u s TYR 190 Cb 0.07 -3.44 -0.05 0.00 -0.40 0.00 0.00 41.96 38.14 3n4u s TYR 190 CO 0.14 -0.95 1.31 -2.30 -1.57 0.00 0.00 175.55 172.17 3n4u n PRO 191 N 6.28 1.63 -3.78 -1.71 -0.02 -1.26 -4.59 135.00 131.55 3n4u n PRO 191 Ca -0.03 0.60 -0.09 0.00 -2.02 0.00 0.00 63.50 61.95 3n4u n PRO 191 Cb 0.47 -2.51 -0.04 0.00 -0.02 0.00 0.00 33.50 31.40 3n4u n PRO 191 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3n4u s LEU 193 N -2.89 4.35 0.11 0.00 2.96 -1.26 -0.53 118.68 121.42 3n4u s LEU 193 Ca 0.11 2.09 0.05 0.00 -0.22 0.00 0.00 54.13 56.16 3n4u s LEU 193 Cb -0.01 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.07 3n4u s LEU 193 CO -0.02 -0.58 -0.12 0.27 -1.32 0.00 0.00 176.35 174.57 3n4u s ILE 194 N 1.49 1.17 0.08 6.68 -4.36 0.10 -3.99 121.20 122.37 3n4u s ILE 194 Ca 0.61 -1.68 -0.26 0.00 -0.26 0.00 0.00 60.65 59.06 3n4u s ILE 194 Cb -0.31 -1.45 -0.16 0.00 1.25 0.00 0.00 42.46 41.78 3n4u s ILE 194 CO 0.28 -0.47 1.69 -0.74 0.24 0.00 0.00 174.94 175.94 3n4u h HIS 195 N 3.55 -0.28 0.00 1.37 -0.00 -1.93 -2.03 115.15 115.83 3n4u h HIS 195 Ca -0.39 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 59.98 3n4u h HIS 195 Cb 1.19 0.09 0.00 0.00 -0.00 0.00 0.00 27.41 28.70 3n4u h HIS 195 CO 0.64 -0.17 0.00 -1.71 -0.00 0.00 0.00 177.93 176.70 3n4u n ASN 196 N -5.21 -0.99 -2.72 3.26 5.15 -1.26 -2.05 115.26 111.44 3n4u n ASN 196 Ca -0.09 0.00 -0.04 0.00 -0.60 0.00 0.00 54.58 53.85 3n4u n ASN 196 Cb 0.15 -0.16 0.09 0.00 -0.53 0.00 0.00 39.78 39.32 3n4u n ASN 196 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 3n4u n ASP 197 N 0.00 -0.20 -4.52 1.20 4.64 -1.26 -4.90 116.55 111.51 3n4u n ASP 197 Ca 0.00 -2.33 -0.42 0.00 -1.38 0.00 0.00 54.79 50.66 3n4u n ASP 197 Cb 0.00 0.22 -0.03 0.00 -1.04 0.00 0.00 41.12 40.27 3n4u n ASP 197 CO 0.00 0.00 0.00 0.12 -0.82 0.00 0.00 177.20 176.50 3n4u s PHE 198 N -1.53 2.71 0.22 -0.67 5.36 -1.26 -4.80 117.98 118.01 3n4u s PHE 198 Ca 0.21 -0.97 -0.06 0.00 -0.96 0.00 0.00 56.93 55.15 3n4u s PHE 198 Cb 0.41 -4.55 -0.02 0.00 -0.34 0.00 0.00 43.02 38.51 3n4u s PHE 198 CO -0.06 -1.79 0.28 -1.54 -1.46 0.00 0.00 175.22 170.64 3n4u s SER 199 N 4.44 0.05 0.39 6.13 1.04 -1.26 -3.75 113.70 120.75 3n4u s SER 199 Ca 0.40 -1.17 0.13 0.00 0.48 0.00 0.00 55.95 55.80 3n4u s SER 199 Cb -0.03 0.47 0.96 0.00 0.10 0.00 0.00 66.02 67.52 3n4u s SER 199 CO -0.08 -0.96 1.88 0.77 0.98 0.00 0.00 173.24 175.83 3n4u h SER 200 N 2.47 0.51 -0.08 7.02 4.64 -1.86 0.28 113.55 126.54 3n4u h SER 200 Ca -0.32 0.04 0.02 0.00 -0.47 0.00 0.00 61.79 61.06 3n4u h SER 200 Cb 1.25 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3n4u h SER 200 CO 0.46 0.25 0.10 0.44 -0.87 0.00 0.00 176.83 177.20 3n4u h ASP 201 N 0.53 0.00 -0.26 4.97 5.19 -1.93 -2.90 116.42 122.02 3n4u h ASP 201 Ca 0.43 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.84 3n4u h ASP 201 Cb 0.88 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.39 3n4u h ASP 201 CO -0.17 0.00 0.00 1.41 -3.12 0.00 0.00 179.24 177.36 3n4u n HIS 202 N -3.75 0.47 -3.93 4.55 8.25 0.99 -4.86 115.22 116.94 3n4u n HIS 202 Ca -0.01 -0.60 -0.35 0.00 -0.26 0.00 0.00 57.72 56.50 3n4u n HIS 202 Cb 0.20 -0.10 -0.14 0.00 1.12 0.00 0.00 29.99 31.07 3n4u n HIS 202 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3n4u s ILE 203 N -1.46 3.22 0.07 1.59 1.01 -1.10 -1.53 121.20 123.01 3n4u s ILE 203 Ca 0.24 -0.56 -0.08 0.00 0.00 0.00 0.00 60.65 60.26 3n4u s ILE 203 Cb 0.15 -2.46 -0.05 0.00 0.01 0.00 0.00 42.46 40.11 3n4u s ILE 203 CO 0.11 0.43 0.35 -0.76 0.00 0.00 0.00 174.94 175.07 3n4u s LEU 204 N 1.46 4.34 0.01 2.97 1.43 -0.34 -1.35 118.68 127.20 3n4u s LEU 204 Ca 0.06 0.66 0.04 0.00 -1.03 0.00 0.00 54.13 53.86 3n4u s LEU 204 Cb -0.14 -2.94 -0.01 0.00 0.03 0.00 0.00 46.19 43.13 3n4u s LEU 204 CO -0.04 0.18 -0.13 0.12 0.23 0.00 0.00 176.35 176.71 3n4u s PHE 205 N -1.42 1.13 -0.40 0.29 5.36 0.13 -0.67 117.98 122.40 3n4u s PHE 205 Ca 0.33 -0.28 -0.11 0.00 -0.96 0.00 0.00 56.93 55.91 3n4u s PHE 205 Cb -0.13 -0.70 0.05 0.00 -0.34 0.00 0.00 43.02 41.90 3n4u s PHE 205 CO 0.19 0.00 0.25 0.34 -1.46 0.00 0.00 175.22 174.54 3n4u s ASP 206 N -0.69 5.73 0.00 6.13 -1.08 0.86 -1.82 116.67 125.79 3n4u s ASP 206 Ca 0.03 -1.25 0.24 0.00 -0.52 0.00 0.00 52.55 51.05 3n4u s ASP 206 Cb -0.06 -2.02 1.08 0.00 -1.46 0.00 0.00 42.92 40.45 3n4u s ASP 206 CO 0.00 -0.48 1.78 0.35 0.52 0.00 0.00 175.17 177.34 3n4u n THR 207 N 4.98 0.32 -0.06 1.71 -2.24 -1.26 0.45 114.28 118.19 3n4u n THR 207 Ca -0.11 0.08 -0.04 0.00 -2.27 0.00 0.00 64.05 61.71 3n4u n THR 207 Cb 0.44 -0.67 -0.03 0.00 -2.10 0.00 0.00 70.33 67.97 3n4u n THR 207 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3n4u h GLU 208 N 0.00 0.00 0.00 -0.78 4.81 -1.95 -3.37 114.58 113.29 3n4u h GLU 208 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3n4u h GLU 208 Cb 0.36 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.74 3n4u h GLU 208 CO 0.00 0.25 0.00 1.63 -0.73 0.00 0.00 179.01 180.16 3n4u n LYS 209 N -4.73 0.22 -3.43 1.92 5.02 -1.17 -4.92 118.16 111.06 3n4u n LYS 209 Ca -0.03 0.29 -0.25 0.00 -2.02 0.00 0.00 58.31 56.30 3n4u n LYS 209 Cb 0.13 -1.81 0.04 0.00 -0.02 0.00 0.00 35.03 33.37 3n4u n LYS 209 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3n4u n ASN 210 N -2.19 -5.45 -4.15 4.39 3.02 0.17 -5.01 115.26 106.04 3n4u n ASN 210 Ca 0.04 -0.48 -0.14 0.00 -0.03 0.00 0.00 54.58 53.97 3n4u n ASN 210 Cb 0.34 -4.37 -0.11 0.00 -0.61 0.00 0.00 39.78 35.03 3n4u n ASN 210 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3n4u s THR 211 N -3.20 0.85 0.20 3.41 -4.23 -1.05 -4.89 115.64 106.74 3n4u s THR 211 Ca 0.48 -1.55 -0.30 0.00 -1.18 0.00 0.00 61.69 59.13 3n4u s THR 211 Cb -0.23 -1.25 -0.09 0.00 1.34 0.00 0.00 72.50 72.27 3n4u s THR 211 CO 0.59 -0.54 1.40 -0.63 -0.54 0.00 0.00 174.62 174.90 3n4u s ILE 212 N -2.32 2.94 0.00 2.99 1.01 -1.26 -0.10 121.20 124.46 3n4u s ILE 212 Ca 0.03 0.75 0.00 0.00 0.00 0.00 0.00 60.65 61.43 3n4u s ILE 212 Cb -0.04 -3.48 0.00 0.00 0.01 0.00 0.00 42.46 38.95 3n4u s ILE 212 CO -0.00 0.10 0.88 0.00 0.00 0.00 0.00 174.94 175.91 3n4u n GLY 214 N -0.38 0.58 3.16 0.00 0.00 -1.18 -4.30 105.19 103.07 3n4u n GLY 214 Ca 0.00 -0.68 -0.25 0.00 0.00 0.00 0.00 46.02 45.08 3n4u n GLY 214 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3n4u s ILE 215 N -2.00 1.41 0.39 -0.61 -1.09 -0.32 -1.19 121.20 117.79 3n4u s ILE 215 Ca 0.00 -0.74 0.04 0.00 -2.23 0.00 0.00 60.65 57.72 3n4u s ILE 215 Cb 0.00 -1.19 -0.03 0.00 -1.58 0.00 0.00 42.46 39.66 3n4u s ILE 215 CO 0.00 0.40 0.15 0.27 -1.23 0.00 0.00 174.94 174.53 3n4u s ILE 216 N -0.24 0.52 -0.43 2.92 -4.36 -0.58 -4.03 121.20 115.00 3n4u s ILE 216 Ca 0.03 -2.00 -0.15 0.00 -0.26 0.00 0.00 60.65 58.26 3n4u s ILE 216 Cb -0.09 -2.40 0.02 0.00 1.25 0.00 0.00 42.46 41.25 3n4u s ILE 216 CO 0.00 0.00 0.59 0.47 0.24 0.00 0.00 174.94 176.25 3n4u n ASP 217 N -1.28 -7.88 -1.61 4.36 8.00 -1.26 -4.87 116.55 112.02 3n4u n ASP 217 Ca -0.04 0.52 0.08 0.00 0.71 0.00 0.00 54.79 56.07 3n4u n ASP 217 Cb 0.65 -5.34 0.36 0.00 -0.02 0.00 0.00 41.12 36.77 3n4u n ASP 217 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3n4u n PHE 218 N -0.33 1.66 0.29 1.24 3.72 -1.26 -4.54 117.46 118.25 3n4u n PHE 218 Ca 0.12 -0.70 0.13 0.00 -0.05 0.00 0.00 57.45 56.94 3n4u n PHE 218 Cb 0.45 -0.38 0.60 0.00 -0.94 0.00 0.00 39.48 39.22 3n4u n PHE 218 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3n4u h GLY 219 N 3.66 0.00 -0.61 1.37 0.00 -1.90 -1.98 103.07 103.61 3n4u h GLY 219 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3n4u h GLY 219 CO 0.35 0.00 -0.28 1.22 0.00 0.00 0.00 176.54 177.83 3n4u n ASP 220 N -2.37 1.44 -4.69 0.19 8.00 -1.26 -4.66 116.55 113.19 3n4u n ASP 220 Ca 0.00 -1.22 -0.40 0.00 0.71 0.00 0.00 54.79 53.88 3n4u n ASP 220 Cb 0.14 0.47 0.02 0.00 -0.02 0.00 0.00 41.12 41.73 3n4u n ASP 220 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3n4u n ALA 221 N -0.18 1.15 -3.84 2.24 0.00 -0.74 -4.67 120.51 114.46 3n4u n ALA 221 Ca 0.06 0.21 0.09 0.00 0.00 0.00 0.00 53.44 53.79 3n4u n ALA 221 Cb 0.28 -2.25 0.02 0.00 0.00 0.00 0.00 19.45 17.50 3n4u n ALA 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3n4u n ALA 222 N -0.54 -2.61 -2.63 0.00 0.00 -0.76 -4.97 120.51 109.00 3n4u n ALA 222 Ca 0.08 -0.93 -0.40 0.00 0.00 0.00 0.00 53.44 52.19 3n4u n ALA 222 Cb 0.41 0.48 -0.07 0.00 0.00 0.00 0.00 19.45 20.27 3n4u n ALA 222 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3n4u s ILE 223 N -2.09 5.05 0.00 0.00 1.01 0.24 0.01 121.20 125.43 3n4u s ILE 223 Ca 0.22 0.96 0.00 0.00 0.00 0.00 0.00 60.65 61.83 3n4u s ILE 223 Cb -0.02 -3.86 0.00 0.00 0.01 0.00 0.00 42.46 38.59 3n4u s ILE 223 CO 0.04 0.09 0.00 -0.24 0.00 0.00 0.00 174.94 174.83 3n4u n SER 224 N 5.44 0.00 -4.64 3.58 2.88 0.31 -0.55 113.62 120.63 3n4u n SER 224 Ca -0.03 -0.12 -0.41 0.00 -1.33 0.00 0.00 58.87 56.97 3n4u n SER 224 Cb 0.50 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.91 3n4u n SER 224 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3n4u s ASP 225 N 1.64 6.79 0.61 -3.46 3.68 -1.26 -0.90 116.67 123.77 3n4u s ASP 225 Ca 0.00 0.98 0.37 0.00 2.13 0.00 0.00 52.55 56.03 3n4u s ASP 225 Cb 0.00 -2.42 1.95 0.00 -1.45 0.00 0.00 42.92 41.01 3n4u s ASP 225 CO 0.00 -0.47 2.23 1.55 0.13 0.00 0.00 175.17 178.61 3n4u h PRO 226 N 7.68 0.00 0.00 4.34 0.13 -1.86 -1.96 132.00 140.33 3n4u h PRO 226 Ca -0.24 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3n4u h PRO 226 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 3n4u h PRO 226 CO 0.85 0.03 -0.01 -0.44 -0.23 0.00 0.00 178.00 178.19 3n4u h ASP 227 N 0.00 0.00 0.54 1.44 3.32 -1.96 -2.35 116.42 117.40 3n4u h ASP 227 Ca -0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3n4u h ASP 227 Cb 0.16 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.70 3n4u h ASP 227 CO 0.00 0.01 -0.08 0.78 -1.72 0.00 0.00 179.24 178.24 3n4u h ASN 228 N 0.00 0.00 1.44 6.45 2.35 -1.77 -2.45 115.58 121.61 3n4u h ASN 228 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3n4u h ASN 228 Cb 0.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.42 3n4u h ASN 228 CO 0.00 0.08 -0.05 0.47 -1.65 0.00 0.00 177.43 176.28 3n4u n ASP 229 N -3.36 0.82 -0.04 5.81 10.43 -0.88 -2.50 116.55 126.83 3n4u n ASP 229 Ca -0.01 0.54 -0.21 0.00 2.57 0.00 0.00 54.79 57.69 3n4u n ASP 229 Cb 0.25 -0.73 -0.13 0.00 1.84 0.00 0.00 41.12 42.34 3n4u n ASP 229 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 3n4u n PHE 230 N -2.27 0.89 0.21 1.24 3.01 -0.97 -4.36 117.46 115.21 3n4u n PHE 230 Ca 0.05 0.19 0.06 0.00 1.01 0.00 0.00 57.45 58.77 3n4u n PHE 230 Cb 0.43 -1.12 0.53 0.00 -0.01 0.00 0.00 39.48 39.32 3n4u n PHE 230 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 3n4u h ILE 231 N 0.01 1.09 0.00 4.37 2.04 -1.48 -1.46 117.51 122.07 3n4u h ILE 231 Ca -0.47 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 64.99 3n4u h ILE 231 Cb 1.97 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 39.20 3n4u h ILE 231 CO 0.02 0.12 0.00 -1.54 0.00 0.00 0.00 178.15 176.75 3n4u n SER 232 N -4.40 0.00 -0.18 1.72 3.41 -1.04 -2.59 113.62 110.54 3n4u n SER 232 Ca -0.02 -0.41 0.06 0.00 -0.26 0.00 0.00 58.87 58.24 3n4u n SER 232 Cb 0.18 -0.12 -0.02 0.00 -0.26 0.00 0.00 64.21 63.99 3n4u n SER 232 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3n4u n LEU 233 N -1.12 1.06 0.01 1.04 4.77 -0.55 -4.40 117.00 117.80 3n4u n LEU 233 Ca 0.14 -0.67 -0.11 0.00 -0.03 0.00 0.00 56.01 55.33 3n4u n LEU 233 Cb 0.12 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.07 3n4u n LEU 233 CO 0.14 0.22 -0.43 0.24 -1.33 0.00 0.00 177.39 176.23 3n4u h MET 234 N 0.86 0.08 -6.39 3.23 2.86 -1.52 0.09 114.93 114.14 3n4u h MET 234 Ca 0.00 -0.14 -0.64 0.00 -2.06 0.00 0.00 59.70 56.87 3n4u h MET 234 Cb 0.36 0.05 0.07 0.00 0.06 0.00 0.00 31.60 32.14 3n4u h MET 234 CO 0.00 0.77 0.44 -1.91 1.06 0.00 0.00 176.91 177.27 3n4u n GLU 235 N -3.22 1.45 -0.01 1.72 0.00 -1.26 -2.53 120.64 116.78 3n4u n GLU 235 Ca -0.16 0.52 -0.13 0.00 0.00 0.00 0.00 57.16 57.38 3n4u n GLU 235 Cb 1.03 -2.11 -0.01 0.00 0.00 0.00 0.00 31.44 30.35 3n4u n GLU 235 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 3n4u h ASP 236 N 4.10 0.76 0.07 4.31 3.32 -1.92 -0.62 116.42 126.44 3n4u h ASP 236 Ca -0.45 -0.46 -0.21 0.00 0.02 0.00 0.00 57.03 55.93 3n4u h ASP 236 Cb 1.32 -0.22 0.02 0.00 0.22 0.00 0.00 39.33 40.67 3n4u h ASP 236 CO 0.75 1.23 -0.86 0.44 -1.72 0.00 0.00 179.24 179.08 3n4u h ASP 237 N 0.47 0.63 0.00 6.45 5.19 -1.99 -3.39 116.42 123.77 3n4u h ASP 237 Ca -0.02 -0.83 -0.09 0.00 -0.62 0.00 0.00 57.03 55.46 3n4u h ASP 237 Cb 1.27 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 40.56 3n4u h ASP 237 CO 0.13 1.39 -2.01 1.21 -3.12 0.00 0.00 179.24 176.85 3n4u n GLU 238 N -4.06 0.71 0.00 3.56 4.07 -1.25 -5.03 120.64 118.64 3n4u n GLU 238 Ca -0.12 -0.13 0.00 0.00 -0.06 0.00 0.00 57.16 56.84 3n4u n GLU 238 Cb 0.81 -1.47 0.00 0.00 -0.06 0.00 0.00 31.44 30.72 3n4u n GLU 238 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 3n4u n GLU 239 N -2.33 3.23 0.06 5.31 -0.58 -0.24 -4.77 120.64 121.33 3n4u n GLU 239 Ca -0.11 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.53 3n4u n GLU 239 Cb 0.68 0.00 -0.13 0.00 -0.57 0.00 0.00 31.44 31.42 3n4u n GLU 239 CO 0.00 0.00 0.00 1.88 -0.48 0.00 0.00 177.13 178.53 3n4u h TYR 240 N 0.00 0.17 0.00 -0.32 0.05 -1.03 -3.43 116.97 112.41 3n4u h TYR 240 Ca 0.00 -0.12 0.00 0.00 0.05 0.00 0.00 58.73 58.66 3n4u h TYR 240 Cb 0.00 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.73 3n4u h TYR 240 CO 0.00 1.11 0.00 0.41 -1.05 0.00 0.00 178.16 178.63 3n4u n GLY 241 N 1.46 -0.62 0.14 3.88 0.00 -1.05 -4.57 105.19 104.43 3n4u n GLY 241 Ca -0.06 -1.70 -0.01 0.00 0.00 0.00 0.00 46.02 44.25 3n4u n GLY 241 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3n4u h MET 242 N 0.00 0.00 -0.67 1.61 2.86 -1.91 -2.27 114.93 114.55 3n4u h MET 242 Ca 0.00 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 3n4u h MET 242 Cb 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 3n4u h MET 242 CO 0.00 0.61 0.09 1.49 1.06 0.00 0.00 176.91 180.16 3n4u h GLU 243 N 0.00 1.12 -0.01 1.72 4.81 -1.97 0.26 114.58 120.50 3n4u h GLU 243 Ca -0.01 -0.31 -0.20 0.00 -0.13 0.00 0.00 59.36 58.71 3n4u h GLU 243 Cb 1.10 -0.13 0.02 0.00 0.63 0.00 0.00 28.75 30.37 3n4u h GLU 243 CO 0.08 1.03 -0.78 0.35 -0.73 0.00 0.00 179.01 178.96 3n4u h PHE 244 N 1.04 0.81 -0.14 0.92 3.04 -1.78 -3.20 116.94 117.63 3n4u h PHE 244 Ca 0.20 -0.43 -0.10 0.00 3.98 0.00 0.00 57.97 61.61 3n4u h PHE 244 Cb 0.46 -0.10 -0.01 0.00 2.56 0.00 0.00 35.95 38.86 3n4u h PHE 244 CO 0.03 1.26 -0.38 0.28 -2.02 0.00 0.00 178.31 177.48 3n4u h VAL 245 N 0.13 1.30 -0.76 1.41 2.07 -1.35 -2.45 116.25 116.60 3n4u h VAL 245 Ca -0.09 -1.46 0.06 0.00 0.82 0.00 0.00 66.70 66.03 3n4u h VAL 245 Cb 1.46 1.61 -0.06 0.00 -1.52 0.00 0.00 31.29 32.78 3n4u h VAL 245 CO 0.15 0.44 0.45 0.28 0.02 0.00 0.00 177.57 178.91 3n4u h SER 246 N 0.25 0.68 -0.54 0.57 0.02 -1.01 0.03 113.55 113.55 3n4u h SER 246 Ca 0.03 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 3n4u h SER 246 Cb 0.78 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.18 3n4u h SER 246 CO 0.06 0.44 0.24 0.11 -1.14 0.00 0.00 176.83 176.54 3n4u h LYS 247 N 0.81 0.79 -0.20 3.45 1.57 -1.44 -1.16 116.57 120.39 3n4u h LYS 247 Ca 0.33 -0.13 0.03 0.00 -1.87 0.00 0.00 60.65 59.01 3n4u h LYS 247 Cb 0.18 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 3n4u h LYS 247 CO -0.18 0.66 0.04 0.82 -0.57 0.00 0.00 179.45 180.22 3n4u h ILE 248 N 0.73 0.91 -0.95 1.86 2.04 -1.08 -1.44 117.51 119.58 3n4u h ILE 248 Ca 0.18 -0.04 0.04 0.00 1.00 0.00 0.00 64.86 66.04 3n4u h ILE 248 Cb 0.15 0.78 -0.06 0.00 -0.74 0.00 0.00 36.82 36.95 3n4u h ILE 248 CO -0.02 0.02 0.62 -0.07 0.00 0.00 0.00 178.15 178.70 3n4u h LEU 249 N 0.12 1.03 -0.06 1.44 3.38 -0.66 0.02 115.31 120.58 3n4u h LEU 249 Ca 0.09 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3n4u h LEU 249 Cb 0.09 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 3n4u h LEU 249 CO -0.12 0.71 0.02 -1.13 0.09 0.00 0.00 178.44 178.00 3n4u h ASN 250 N 1.20 0.09 0.25 -0.43 -0.73 -0.98 -1.75 115.58 113.23 3n4u h ASN 250 Ca 0.38 -0.22 -0.06 0.00 1.87 0.00 0.00 56.30 58.27 3n4u h ASN 250 Cb -0.00 -0.02 -0.01 0.00 0.27 0.00 0.00 38.32 38.56 3n4u h ASN 250 CO -0.12 0.28 -0.28 0.45 -0.37 0.00 0.00 177.43 177.39 3n4u h HIS 251 N -0.11 0.06 0.00 0.67 3.86 -0.95 -1.72 115.15 116.96 3n4u h HIS 251 Ca 0.02 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3n4u h HIS 251 Cb 0.23 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.68 3n4u h HIS 251 CO 0.00 0.34 0.00 -0.92 0.86 0.00 0.00 177.93 178.21 3n4u h TYR 252 N 0.05 0.00 -1.76 2.45 5.03 -0.92 -3.46 116.97 118.36 3n4u h TYR 252 Ca 0.01 0.00 -0.19 0.00 2.58 0.00 0.00 58.73 61.13 3n4u h TYR 252 Cb 0.53 0.00 0.01 0.00 1.55 0.00 0.00 36.73 38.81 3n4u h TYR 252 CO 0.00 0.00 -0.26 1.63 -1.32 0.00 0.00 178.16 178.21 3n4u n LYS 253 N -2.50 -1.38 -1.66 1.82 5.02 -0.65 -4.97 118.16 113.84 3n4u n LYS 253 Ca 0.04 0.45 -0.45 0.00 -2.02 0.00 0.00 58.31 56.33 3n4u n LYS 253 Cb 0.41 -4.40 -0.03 0.00 -0.02 0.00 0.00 35.03 30.99 3n4u n LYS 253 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 3n4u n HIS 254 N -3.93 2.09 1.02 2.13 -0.00 -0.84 -4.90 115.22 110.79 3n4u n HIS 254 Ca -0.09 0.46 0.11 0.00 0.46 0.00 0.00 57.72 58.66 3n4u n HIS 254 Cb 0.57 -2.44 0.04 0.00 -0.12 0.00 0.00 29.99 28.04 3n4u n HIS 254 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 3n4u n LYS 255 N 1.95 0.26 -3.14 1.57 4.76 -1.26 -4.59 118.16 117.70 3n4u n LYS 255 Ca 0.12 -0.20 -0.20 0.00 -2.87 0.00 0.00 58.31 55.16 3n4u n LYS 255 Cb 0.31 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 31.96 3n4u n LYS 255 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3n4u n ASP 256 N -1.20 0.09 -0.33 4.39 2.03 -1.26 -4.96 116.55 115.31 3n4u n ASP 256 Ca 0.06 -2.89 0.02 0.00 0.52 0.00 0.00 54.79 52.49 3n4u n ASP 256 Cb 0.35 -0.35 0.16 0.00 -0.72 0.00 0.00 41.12 40.56 3n4u n ASP 256 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3n4u h ILE 257 N 1.75 1.05 -0.80 5.18 2.04 -2.00 -1.85 117.51 122.88 3n4u h ILE 257 Ca 0.06 -0.35 0.15 0.00 1.00 0.00 0.00 64.86 65.72 3n4u h ILE 257 Cb 0.93 -0.08 -0.06 0.00 -0.74 0.00 0.00 36.82 36.88 3n4u h ILE 257 CO 0.45 0.19 0.53 -0.65 0.00 0.00 0.00 178.15 178.67 3n4u h PRO 258 N 1.03 0.46 -0.31 2.37 0.11 -1.99 -0.26 132.00 133.42 3n4u h PRO 258 Ca 0.40 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 66.33 3n4u h PRO 258 Cb 0.19 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.19 3n4u h PRO 258 CO -0.18 0.31 -0.41 1.15 -0.21 0.00 0.00 178.00 178.66 3n4u h THR 259 N 0.48 1.29 -0.41 -1.15 2.02 -1.76 -1.92 112.91 111.45 3n4u h THR 259 Ca 0.40 -1.59 -0.01 0.00 0.77 0.00 0.00 66.41 65.98 3n4u h THR 259 Cb 0.85 1.48 -0.02 0.00 -1.74 0.00 0.00 68.15 68.73 3n4u h THR 259 CO -0.14 0.52 0.23 0.58 0.37 0.00 0.00 175.52 177.07 3n4u h VAL 260 N 0.62 1.15 -0.80 3.16 2.07 -0.91 -1.50 116.25 120.04 3n4u h VAL 260 Ca 0.05 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.19 3n4u h VAL 260 Cb 0.96 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 3n4u h VAL 260 CO 0.09 0.16 0.53 -0.07 0.02 0.00 0.00 177.57 178.30 3n4u h LEU 261 N 0.53 0.91 -0.31 2.57 3.38 -1.05 -1.24 115.31 120.10 3n4u h LEU 261 Ca 0.14 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3n4u h LEU 261 Cb 0.05 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3n4u h LEU 261 CO -0.02 0.66 0.08 -0.08 0.09 0.00 0.00 178.44 179.17 3n4u h GLU 262 N 1.08 0.50 -0.59 1.13 4.81 -1.05 -1.89 114.58 118.57 3n4u h GLU 262 Ca 0.30 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.37 3n4u h GLU 262 Cb -0.11 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.18 3n4u h GLU 262 CO -0.07 0.56 0.21 0.87 -0.73 0.00 0.00 179.01 179.86 3n4u h LYS 263 N 0.35 0.87 -0.65 1.92 1.57 -0.79 -1.49 116.57 118.35 3n4u h LYS 263 Ca 0.10 -0.15 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 3n4u h LYS 263 Cb 0.28 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 3n4u h LYS 263 CO -0.00 0.73 0.18 -0.92 -0.57 0.00 0.00 179.45 178.86 3n4u h TYR 264 N 0.85 1.04 -0.66 -1.35 3.20 -1.05 -0.24 116.97 118.76 3n4u h TYR 264 Ca 0.20 -0.10 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 3n4u h TYR 264 Cb 0.20 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 3n4u h TYR 264 CO 0.01 0.85 0.33 -0.09 -1.64 0.00 0.00 178.16 177.62 3n4u h ARG 265 N 0.96 0.94 -0.34 1.82 2.43 -0.71 -0.06 114.38 119.42 3n4u h ARG 265 Ca 0.21 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 59.22 3n4u h ARG 265 Cb 0.31 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 3n4u h ARG 265 CO -0.00 0.74 0.10 1.98 -1.51 0.00 0.00 179.97 181.28 3n4u h MET 266 N 0.91 0.53 -0.37 0.20 4.05 -1.05 -3.18 114.93 116.03 3n4u h MET 266 Ca 0.23 -0.12 -0.03 0.00 -0.28 0.00 0.00 59.70 59.50 3n4u h MET 266 Cb 0.10 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 30.80 3n4u h MET 266 CO -0.03 0.57 0.10 0.87 0.23 0.00 0.00 176.91 178.64 3n4u h LYS 267 N 0.40 0.54 -0.10 0.39 1.79 -0.55 -0.80 116.57 118.23 3n4u h LYS 267 Ca 0.11 -0.08 0.04 0.00 -2.18 0.00 0.00 60.65 58.54 3n4u h LYS 267 Cb 0.26 -0.09 -0.06 0.00 -1.58 0.00 0.00 32.23 30.75 3n4u h LYS 267 CO -0.00 0.49 -0.38 0.93 -1.08 0.00 0.00 179.45 179.40 3n4u h GLU 268 N 0.53 -0.46 -0.33 3.15 5.08 -0.99 0.63 114.58 122.19 3n4u h GLU 268 Ca 0.12 0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.42 3n4u h GLU 268 Cb 0.20 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 3n4u h GLU 268 CO -0.00 -0.31 -0.19 0.87 -1.00 0.00 0.00 179.01 178.37 3n4u h LYS 269 N -0.48 0.62 -0.27 2.33 1.57 -1.56 -2.89 116.57 115.88 3n4u h LYS 269 Ca 0.08 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3n4u h LYS 269 Cb 0.61 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 3n4u h LYS 269 CO -0.36 0.77 0.17 -0.92 -0.57 0.00 0.00 179.45 178.54 3n4u h TYR 270 N 0.55 0.36 -0.87 -1.35 3.20 0.03 -2.54 116.97 116.35 3n4u h TYR 270 Ca 0.09 -0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.11 3n4u h TYR 270 Cb 0.64 -0.12 -0.09 0.00 1.54 0.00 0.00 36.73 38.70 3n4u h TYR 270 CO 0.03 0.26 0.46 -1.49 -1.64 0.00 0.00 178.16 175.78 3n4u h TRP 271 N 0.35 0.81 -0.83 -3.82 -0.00 0.44 -1.38 115.95 111.51 3n4u h TRP 271 Ca 0.10 0.03 0.05 0.00 -0.00 0.00 0.00 58.89 59.07 3n4u h TRP 271 Cb 0.01 -0.23 -0.05 0.00 -0.00 0.00 0.00 29.16 28.89 3n4u h TRP 271 CO -0.05 0.20 0.54 0.77 -0.00 0.00 0.00 178.44 179.90 3n4u h SER 272 N 0.65 0.84 -0.04 -3.49 0.02 -1.38 0.10 113.55 110.26 3n4u h SER 272 Ca 0.48 -0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 61.26 3n4u h SER 272 Cb 0.67 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 63.04 3n4u h SER 272 CO -0.36 0.56 -0.62 -0.26 -1.14 0.00 0.00 176.83 175.02 3n4u h PHE 273 N 0.97 0.69 -0.52 3.45 0.04 -1.24 -3.26 116.94 117.08 3n4u h PHE 273 Ca 0.34 -0.35 0.08 0.00 2.80 0.00 0.00 57.97 60.84 3n4u h PHE 273 Cb 0.13 -0.09 -0.06 0.00 2.20 0.00 0.00 35.95 38.13 3n4u h PHE 273 CO -0.00 1.16 0.16 1.49 -0.60 0.00 0.00 178.31 180.52 3n4u h GLU 274 N 0.03 0.32 -0.01 1.51 4.81 -0.72 -1.50 114.58 119.03 3n4u h GLU 274 Ca -0.07 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3n4u h GLU 274 Cb 1.30 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.60 3n4u h GLU 274 CO 0.12 0.21 0.09 0.87 -0.73 0.00 0.00 179.01 179.58 3n4u h LYS 275 N 0.33 0.00 -0.52 1.92 1.57 -0.87 0.17 116.57 119.16 3n4u h LYS 275 Ca 0.25 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.95 3n4u h LYS 275 Cb 0.30 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 3n4u h LYS 275 CO -0.28 0.00 0.00 0.82 -0.57 0.00 0.00 179.45 179.42 3n4u h ILE 276 N 0.00 1.25 0.57 1.86 2.04 -1.31 0.37 117.51 122.29 3n4u h ILE 276 Ca 0.00 -1.06 -0.03 0.00 1.00 0.00 0.00 64.86 64.78 3n4u h ILE 276 Cb 0.19 0.85 0.01 0.00 -0.74 0.00 0.00 36.82 37.12 3n4u h ILE 276 CO -0.00 0.38 -0.27 0.40 0.00 0.00 0.00 178.15 178.65 3n4u h ILE 277 N 0.82 0.36 -0.54 -0.67 1.08 -0.73 -0.39 117.51 117.44 3n4u h ILE 277 Ca 0.16 -0.26 -0.10 0.00 -0.39 0.00 0.00 64.86 64.27 3n4u h ILE 277 Cb 0.49 0.45 -0.02 0.00 -3.07 0.00 0.00 36.82 34.67 3n4u h ILE 277 CO 0.02 0.04 -0.04 1.88 -0.69 0.00 0.00 178.15 179.36 3n4u h TYR 278 N -0.95 1.05 -0.30 1.37 -1.99 -1.59 -2.30 116.97 112.26 3n4u h TYR 278 Ca -0.08 -0.18 0.06 0.00 2.00 0.00 0.00 58.73 60.53 3n4u h TYR 278 Cb 0.65 -0.27 -0.06 0.00 2.00 0.00 0.00 36.73 39.04 3n4u h TYR 278 CO -0.00 0.96 -0.10 0.78 -0.00 0.00 0.00 178.16 179.79 3n4u h GLY 279 N 0.98 0.17 1.48 3.88 0.00 -0.18 0.82 103.07 110.21 3n4u h GLY 279 Ca 0.15 0.13 -0.17 0.00 0.00 0.00 0.00 47.33 47.45 3n4u h GLY 279 CO 0.03 -0.14 -0.61 1.70 0.00 0.00 0.00 176.54 177.53 3n4u h LYS 280 N -0.04 0.54 0.76 4.80 3.64 -1.01 -0.25 116.57 125.01 3n4u h LYS 280 Ca 0.15 -0.37 -0.04 0.00 -1.27 0.00 0.00 60.65 59.12 3n4u h LYS 280 Cb 0.27 0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.15 3n4u h LYS 280 CO -0.33 0.98 -0.37 1.49 -2.27 0.00 0.00 179.45 178.96 3n4u h GLU 281 N 0.40 -0.98 0.00 1.90 4.57 -0.94 -3.24 114.58 116.28 3n4u h GLU 281 Ca -0.01 0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 3n4u h GLU 281 Cb 1.17 0.22 0.00 0.00 -0.16 0.00 0.00 28.75 29.98 3n4u h GLU 281 CO 0.11 -0.64 0.00 0.66 -1.18 0.00 0.00 179.01 177.96 3n4u n TYR 282 N -5.49 0.13 -3.16 0.92 4.01 0.28 -4.91 117.16 108.94 3n4u n TYR 282 Ca -0.14 0.04 -0.15 0.00 -0.16 0.00 0.00 57.90 57.49 3n4u n TYR 282 Cb 0.42 -0.56 0.05 0.00 -0.31 0.00 0.00 39.34 38.94 3n4u n TYR 282 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3n4u n GLY 283 N 1.44 -0.04 3.57 2.72 0.00 -0.20 -5.00 105.19 107.68 3n4u n GLY 283 Ca 0.07 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3n4u n GLY 283 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3n4u s TYR 284 N -3.22 3.18 0.18 1.61 4.12 -0.61 -4.96 117.35 117.66 3n4u s TYR 284 Ca 0.30 0.33 -0.06 0.00 0.02 0.00 0.00 57.07 57.66 3n4u s TYR 284 Cb -0.13 -2.99 0.08 0.00 -1.52 0.00 0.00 41.96 37.40 3n4u s TYR 284 CO 0.48 -0.54 1.53 1.98 0.02 0.00 0.00 175.55 179.02 3n4u h MET 285 N 8.38 0.76 0.00 -0.62 1.85 -1.95 -2.39 114.93 120.97 3n4u h MET 285 Ca -0.27 -0.40 0.00 0.00 -0.61 0.00 0.00 59.70 58.42 3n4u h MET 285 Cb 1.12 0.01 0.00 0.00 0.43 0.00 0.00 31.60 33.16 3n4u h MET 285 CO 0.79 1.02 0.00 -3.47 -0.40 0.00 0.00 176.91 174.85 3n4u n ASP 286 N -4.04 0.00 -0.33 1.39 -0.08 -1.26 -1.17 116.55 111.07 3n4u n ASP 286 Ca -0.02 0.92 0.06 0.00 -1.51 0.00 0.00 54.79 54.24 3n4u n ASP 286 Cb 0.53 -0.42 0.25 0.00 2.34 0.00 0.00 41.12 43.83 3n4u n ASP 286 CO 0.00 0.00 0.00 -0.50 0.12 0.00 0.00 177.20 176.82 3n4u h TRP 287 N 0.00 1.06 0.12 -0.67 6.55 -1.86 -2.10 115.95 119.06 3n4u h TRP 287 Ca 0.00 0.03 -0.01 0.00 0.95 0.00 0.00 58.89 59.86 3n4u h TRP 287 Cb 0.00 -0.34 0.00 0.00 -0.86 0.00 0.00 29.16 27.96 3n4u h TRP 287 CO -0.57 0.49 -0.06 -0.92 -1.05 0.00 0.00 178.44 176.33 3n4u h TYR 288 N 0.99 -0.16 -0.18 0.49 3.20 -1.27 -2.87 116.97 117.17 3n4u h TYR 288 Ca 0.44 -0.00 -0.18 0.00 3.14 0.00 0.00 58.73 62.13 3n4u h TYR 288 Cb 0.37 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.69 3n4u h TYR 288 CO -0.00 0.32 -0.61 1.05 -1.64 0.00 0.00 178.16 177.28 3n4u h GLU 289 N -0.86 0.62 0.04 1.82 4.11 -1.14 -1.63 114.58 117.55 3n4u h GLU 289 Ca -0.02 -0.42 0.02 0.00 0.07 0.00 0.00 59.36 59.00 3n4u h GLU 289 Cb 0.55 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 3n4u h GLU 289 CO 0.03 1.04 -0.13 0.93 0.07 0.00 0.00 179.01 180.95 3n4u h GLU 290 N 0.46 -0.23 -0.71 1.06 5.08 -1.52 0.20 114.58 118.93 3n4u h GLU 290 Ca -0.00 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3n4u h GLU 290 Cb 1.18 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.44 3n4u h GLU 290 CO 0.12 -0.15 0.47 0.78 -1.00 0.00 0.00 179.01 179.22 3n4u h GLY 291 N -0.24 0.99 1.61 -3.84 0.00 -1.38 0.92 103.07 101.13 3n4u h GLY 291 Ca 0.03 -0.36 -0.17 0.00 0.00 0.00 0.00 47.33 46.83 3n4u h GLY 291 CO -0.10 0.35 -0.65 -2.00 0.00 0.00 0.00 176.54 174.14 3n4u h LEU 292 N 0.94 0.45 -0.88 3.11 5.85 -0.93 -1.62 115.31 122.23 3n4u h LEU 292 Ca 0.26 -0.27 -0.11 0.00 0.84 0.00 0.00 57.88 58.60 3n4u h LEU 292 Cb -0.08 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 3n4u h LEU 292 CO -0.06 0.98 -0.34 0.78 -0.34 0.00 0.00 178.44 179.46 3n4u h ASN 293 N 0.28 0.42 -0.11 1.25 -0.26 0.23 -2.59 115.58 114.82 3n4u h ASN 293 Ca -0.01 -0.16 -0.00 0.00 -0.56 0.00 0.00 56.30 55.56 3n4u h ASN 293 Cb 1.20 -0.12 -0.00 0.00 -1.06 0.00 0.00 38.32 38.33 3n4u h ASN 293 CO 0.11 0.74 0.05 -0.08 -1.06 0.00 0.00 177.43 177.19 3n4u h GLU 294 N 0.35 0.16 -0.25 0.81 4.57 -0.34 -2.04 114.58 117.84 3n4u h GLU 294 Ca 0.04 -0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.24 3n4u h GLU 294 Cb 0.77 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.29 3n4u h GLU 294 CO 0.06 0.23 -0.04 0.82 -1.18 0.00 0.00 179.01 178.91 3n4u h ILE 295 N 0.04 0.78 -0.13 2.32 2.04 -1.24 -2.20 117.51 119.12 3n4u h ILE 295 Ca 0.04 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.86 3n4u h ILE 295 Cb 0.13 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 3n4u h ILE 295 CO -0.00 0.00 -0.04 0.03 0.00 0.00 0.00 178.15 178.14 3n4u h ARG 296 N 0.03 0.19 0.00 2.37 3.08 -1.38 -1.60 114.38 117.06 3n4u h ARG 296 Ca 0.12 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3n4u h ARG 296 Cb 0.17 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3n4u h ARG 296 CO -0.23 0.25 0.00 0.66 -1.07 0.00 0.00 179.97 179.58 3n4u h SER 297 N 0.19 0.00 -3.57 7.04 4.64 -0.75 -3.45 113.55 117.65 3n4u h SER 297 Ca 0.04 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.84 3n4u h SER 297 Cb 0.20 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.34 3n4u h SER 297 CO 0.01 0.00 0.66 -0.63 -0.87 0.00 0.00 176.83 176.00 3n4u s ILE 298 N -3.57 2.95 -0.18 0.95 1.01 -0.60 -5.03 121.20 116.74 3n4u s ILE 298 Ca 0.02 0.85 0.00 0.00 0.00 0.00 0.00 60.65 61.52 3n4u s ILE 298 Cb 0.08 -3.54 0.01 0.00 0.01 0.00 0.00 42.46 39.02 3n4u s ILE 298 CO 0.56 0.16 -0.17 -0.75 0.00 0.00 0.00 174.94 174.75 3n4u s LYS 299 N -0.80 3.11 0.05 2.79 2.47 -1.26 -5.05 119.74 121.05 3n4u s LYS 299 Ca 0.54 -0.78 -0.30 0.00 -1.56 0.00 0.00 55.97 53.86 3n4u s LYS 299 Cb -0.38 -2.64 -0.08 0.00 -1.46 0.00 0.00 37.83 33.27 3n4u s LYS 299 CO 0.44 -0.13 1.66 0.42 0.16 0.00 0.00 175.35 177.90 3n4u s ILE 300 N 1.16 3.13 0.00 5.43 1.01 -1.26 -5.18 121.20 125.49 3n4u s ILE 300 Ca 0.01 0.52 0.00 0.00 0.00 0.00 0.00 60.65 61.18 3n4u s ILE 300 Cb -0.14 -3.33 0.00 0.00 0.01 0.00 0.00 42.46 39.00 3n4u s ILE 300 CO -0.07 -0.01 0.00 0.29 0.00 0.00 0.00 174.94 175.15