#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n4v s ARG 2 N 0.00 1.95 0.02 0.03 3.52 -0.75 -5.08 118.95 118.64 3n4v s ARG 2 Ca 0.00 1.44 -0.00 0.00 -0.13 0.00 0.00 55.73 57.04 3n4v s ARG 2 Cb 0.00 -1.84 -0.02 0.00 -1.56 0.00 0.00 34.95 31.53 3n4v s ARG 2 CO 0.00 -1.91 -0.03 -0.08 -0.81 0.00 0.00 175.30 172.47 3n4v s THR 3 N -2.56 0.10 -0.02 4.11 -1.32 -1.26 -4.85 115.64 109.85 3n4v s THR 3 Ca 0.66 -0.85 0.06 0.00 -1.21 0.00 0.00 61.69 60.35 3n4v s THR 3 Cb -0.22 -0.24 -0.01 0.00 -1.51 0.00 0.00 72.50 70.52 3n4v s THR 3 CO 0.52 -0.47 -0.19 -0.31 -2.21 0.00 0.00 174.62 171.97 3n4v s TYR 4 N -1.37 1.71 0.48 9.09 2.02 -1.26 -5.13 117.35 122.89 3n4v s TYR 4 Ca -0.15 -0.35 -0.04 0.00 -0.37 0.00 0.00 57.07 56.16 3n4v s TYR 4 Cb -0.09 -1.11 -0.03 0.00 -0.40 0.00 0.00 41.96 40.33 3n4v s TYR 4 CO -0.01 -0.05 0.77 0.95 -1.57 0.00 0.00 175.55 175.64 3n4v s THR 5 N -0.37 4.64 0.41 -0.71 -4.23 -1.26 -4.97 115.64 109.15 3n4v s THR 5 Ca 0.05 0.04 0.12 0.00 -1.18 0.00 0.00 61.69 60.72 3n4v s THR 5 Cb -0.08 -3.76 0.33 0.00 1.34 0.00 0.00 72.50 70.33 3n4v s THR 5 CO -0.00 -0.71 1.94 -0.26 -0.54 0.00 0.00 174.62 175.05 3n4v h PHE 6 N 0.23 0.57 -0.14 3.99 0.04 -2.00 -2.62 116.94 117.00 3n4v h PHE 6 Ca -0.47 0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.25 3n4v h PHE 6 Cb 1.22 -0.18 -0.00 0.00 2.20 0.00 0.00 35.95 39.18 3n4v h PHE 6 CO 0.55 0.25 -0.16 -0.44 -0.60 0.00 0.00 178.31 177.91 3n4v h ASP 7 N 0.52 0.38 -0.81 2.17 5.19 -1.99 -1.27 116.42 120.60 3n4v h ASP 7 Ca 0.34 -0.50 0.12 0.00 -0.62 0.00 0.00 57.03 56.37 3n4v h ASP 7 Cb 0.62 -0.11 -0.06 0.00 0.18 0.00 0.00 39.33 39.96 3n4v h ASP 7 CO -0.11 0.80 0.53 1.56 -3.12 0.00 0.00 179.24 178.90 3n4v h GLN 8 N -0.03 0.65 0.45 3.56 4.20 -1.89 -1.01 115.11 121.04 3n4v h GLN 8 Ca 0.02 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 3n4v h GLN 8 Cb 0.70 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.34 3n4v h GLN 8 CO 0.04 0.43 -0.22 0.28 -0.67 0.00 0.00 178.83 178.69 3n4v h VAL 9 N 0.67 0.47 -0.92 -0.54 2.07 -1.30 -2.39 116.25 114.32 3n4v h VAL 9 Ca 0.39 -0.44 0.18 0.00 0.82 0.00 0.00 66.70 67.65 3n4v h VAL 9 Cb 0.59 0.65 -0.07 0.00 -1.52 0.00 0.00 31.29 30.93 3n4v h VAL 9 CO -0.15 0.07 0.59 -0.33 0.02 0.00 0.00 177.57 177.76 3n4v h GLU 10 N -0.89 0.54 0.00 1.57 5.08 -0.70 -2.57 114.58 117.62 3n4v h GLU 10 Ca -0.06 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.08 3n4v h GLU 10 Cb 0.57 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 3n4v h GLU 10 CO 0.10 0.36 -1.00 1.57 -1.00 0.00 0.00 179.01 179.04 3n4v h LYS 11 N 0.56 0.00 -0.28 2.33 2.10 -1.15 -2.30 116.57 117.83 3n4v h LYS 11 Ca 0.48 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 59.01 3n4v h LYS 11 Cb 0.98 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.30 3n4v h LYS 11 CO -0.22 0.69 -0.32 0.00 -2.00 0.00 0.00 179.45 177.59 3n4v h ALA 12 N 1.20 0.92 -0.30 0.07 0.00 -1.03 -1.59 119.26 118.53 3n4v h ALA 12 Ca -0.07 -0.40 -0.15 0.00 0.00 0.00 0.00 54.91 54.29 3n4v h ALA 12 Cb 1.66 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.33 3n4v h ALA 12 CO 0.09 0.62 -0.40 0.82 0.00 0.00 0.00 179.25 180.39 3n4v h ILE 13 N 0.51 1.29 0.08 0.00 2.04 -1.49 -3.21 117.51 116.73 3n4v h ILE 13 Ca 0.06 -1.58 0.02 0.00 1.00 0.00 0.00 64.86 64.35 3n4v h ILE 13 Cb 0.81 1.59 -0.02 0.00 -0.74 0.00 0.00 36.82 38.45 3n4v h ILE 13 CO 0.07 0.51 -0.17 -0.33 0.00 0.00 0.00 178.15 178.23 3n4v h GLU 14 N 0.56 -0.31 -0.84 2.37 5.08 -1.34 0.23 114.58 120.33 3n4v h GLU 14 Ca 0.03 0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.52 3n4v h GLU 14 Cb 0.99 0.07 -0.12 0.00 0.50 0.00 0.00 28.75 30.19 3n4v h GLU 14 CO 0.09 -0.21 -0.40 0.94 -1.00 0.00 0.00 179.01 178.43 3n4v n GLN 15 N -5.30 -0.27 -0.15 2.33 7.27 -0.61 -0.96 117.38 119.69 3n4v n GLN 15 Ca -0.06 1.27 0.09 0.00 0.07 0.00 0.00 57.00 58.37 3n4v n GLN 15 Cb 0.22 -1.88 0.16 0.00 2.41 0.00 0.00 30.24 31.15 3n4v n GLN 15 CO 0.00 0.00 0.00 1.47 0.07 0.00 0.00 177.06 178.60 3n4v n LEU 16 N -5.15 3.02 -3.38 1.69 -0.00 -1.18 -4.58 117.00 107.43 3n4v n LEU 16 Ca 0.05 -1.52 -0.26 0.00 -0.00 0.00 0.00 56.01 54.29 3n4v n LEU 16 Cb 0.28 -0.19 -0.08 0.00 -0.00 0.00 0.00 43.42 43.42 3n4v n LEU 16 CO -0.12 0.66 -0.18 -1.22 -0.00 0.00 0.00 177.39 176.54 3n4v n TYR 17 N 1.08 0.98 0.23 1.47 4.01 0.80 -4.97 117.16 120.76 3n4v n TYR 17 Ca 0.15 -3.75 0.09 0.00 -0.16 0.00 0.00 57.90 54.23 3n4v n TYR 17 Cb 0.49 -0.31 0.53 0.00 -0.31 0.00 0.00 39.34 39.75 3n4v n TYR 17 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3n4v h PRO 18 N 4.55 0.00 -0.01 -0.72 0.11 -1.70 -2.01 132.00 132.23 3n4v h PRO 18 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3n4v h PRO 18 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 3n4v h PRO 18 CO 0.57 0.23 -0.29 -0.25 -0.21 0.00 0.00 178.00 178.05 3n4v n ASP 19 N -3.64 1.17 -4.67 -2.05 8.00 -1.26 -4.88 116.55 109.22 3n4v n ASP 19 Ca -0.01 -0.99 -0.41 0.00 0.71 0.00 0.00 54.79 54.09 3n4v n ASP 19 Cb 0.36 0.18 -0.04 0.00 -0.02 0.00 0.00 41.12 41.60 3n4v n ASP 19 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3n4v s PHE 20 N -2.49 3.43 -0.29 1.24 5.36 -0.75 -5.03 117.98 119.44 3n4v s PHE 20 Ca 0.24 1.24 -0.11 0.00 -0.96 0.00 0.00 56.93 57.34 3n4v s PHE 20 Cb 0.19 -3.00 -0.04 0.00 -0.34 0.00 0.00 43.02 39.83 3n4v s PHE 20 CO 0.53 -0.22 0.20 0.99 -1.46 0.00 0.00 175.22 175.25 3n4v s THR 21 N 2.07 5.29 -0.44 0.12 2.01 -1.26 -4.92 115.64 118.51 3n4v s THR 21 Ca 0.38 0.08 -0.20 0.00 0.31 0.00 0.00 61.69 62.26 3n4v s THR 21 Cb -0.17 -3.57 0.03 0.00 0.01 0.00 0.00 72.50 68.80 3n4v s THR 21 CO 0.13 0.19 0.61 -0.63 -0.69 0.00 0.00 174.62 174.23 3n4v s ILE 22 N 1.75 4.87 -0.21 1.82 1.01 -1.26 -4.91 121.20 124.26 3n4v s ILE 22 Ca 0.07 -0.02 -0.17 0.00 0.00 0.00 0.00 60.65 60.53 3n4v s ILE 22 Cb -0.16 -4.19 -0.19 0.00 0.01 0.00 0.00 42.46 37.93 3n4v s ILE 22 CO 0.11 -0.60 0.10 0.59 0.00 0.00 0.00 174.94 175.14 3n4v n ASN 23 N 6.17 1.92 -4.06 3.58 3.02 -1.26 -4.96 115.26 119.66 3n4v n ASN 23 Ca -0.03 0.35 -0.19 0.00 -0.03 0.00 0.00 54.58 54.68 3n4v n ASN 23 Cb 0.48 -0.90 -0.14 0.00 -0.61 0.00 0.00 39.78 38.60 3n4v n ASN 23 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3n4v s THR 24 N -2.43 0.85 -0.10 3.41 -4.23 -1.26 -4.97 115.64 106.91 3n4v s THR 24 Ca -0.30 -0.59 -0.04 0.00 -1.18 0.00 0.00 61.69 59.58 3n4v s THR 24 Cb 0.08 -0.74 0.05 0.00 1.34 0.00 0.00 72.50 73.23 3n4v s THR 24 CO 0.60 0.14 0.21 -0.51 -0.54 0.00 0.00 174.62 174.52 3n4v s ILE 25 N -0.43 -0.17 0.13 2.99 2.07 -1.26 -0.08 121.20 124.45 3n4v s ILE 25 Ca 0.03 0.23 -0.01 0.00 -1.41 0.00 0.00 60.65 59.48 3n4v s ILE 25 Cb -0.05 -0.35 -0.04 0.00 0.13 0.00 0.00 42.46 42.15 3n4v s ILE 25 CO -0.00 0.09 0.04 -1.83 -1.91 0.00 0.00 174.94 171.34 3n4v s GLU 26 N 1.71 0.91 -0.07 3.50 -1.05 -0.81 -4.98 118.70 117.91 3n4v s GLU 26 Ca -0.04 -1.43 -0.25 0.00 -0.15 0.00 0.00 54.97 53.10 3n4v s GLU 26 Cb -0.11 0.21 -0.03 0.00 -0.44 0.00 0.00 34.13 33.75 3n4v s GLU 26 CO -0.07 -0.24 0.77 0.42 0.95 0.00 0.00 175.26 177.09 3n4v s ILE 27 N -4.01 4.99 -0.11 1.83 1.01 -1.26 0.17 121.20 123.81 3n4v s ILE 27 Ca 0.22 1.58 0.15 0.00 0.00 0.00 0.00 60.65 62.61 3n4v s ILE 27 Cb 0.07 -4.10 -0.23 0.00 0.01 0.00 0.00 42.46 38.21 3n4v s ILE 27 CO 0.01 0.20 0.46 -0.24 0.00 0.00 0.00 174.94 175.37 3n4v n SER 28 N 4.05 0.52 0.00 3.58 2.88 0.24 -4.80 113.62 120.09 3n4v n SER 28 Ca 0.01 0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 3n4v n SER 28 Cb 0.51 0.43 0.00 0.00 -0.75 0.00 0.00 64.21 64.40 3n4v n SER 28 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3n4v n GLY 29 N 1.59 -0.95 3.27 0.46 0.00 -1.11 -4.99 105.19 103.45 3n4v n GLY 29 Ca -0.21 -1.11 -0.12 0.00 0.00 0.00 0.00 46.02 44.58 3n4v n GLY 29 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3n4v s GLU 30 N -2.00 0.42 0.00 1.61 2.12 -1.26 -1.48 118.70 118.11 3n4v s GLU 30 Ca 0.00 0.61 0.00 0.00 0.36 0.00 0.00 54.97 55.94 3n4v s GLU 30 Cb 0.00 0.13 0.00 0.00 0.26 0.00 0.00 34.13 34.52 3n4v s GLU 30 CO 0.00 -0.09 0.00 0.41 -0.54 0.00 0.00 175.26 175.04 3n4v n GLY 31 N 3.36 5.05 0.26 -1.50 0.00 -0.49 -5.03 105.19 106.85 3n4v n GLY 31 Ca -0.17 -1.95 0.15 0.00 0.00 0.00 0.00 46.02 44.05 3n4v n GLY 31 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3n4v h ASN 32 N 0.00 0.00 0.00 1.61 2.35 -2.03 -3.37 115.58 114.14 3n4v h ASN 32 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3n4v h ASN 32 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3n4v h ASN 32 CO 0.00 0.07 -0.40 -0.90 -1.65 0.00 0.00 177.43 174.55 3n4v n ASP 33 N -3.20 1.98 -4.11 5.81 5.68 -1.26 -4.89 116.55 116.56 3n4v n ASP 33 Ca 0.00 -0.11 -0.13 0.00 -0.50 0.00 0.00 54.79 54.06 3n4v n ASP 33 Cb 0.33 0.61 -0.11 0.00 -1.14 0.00 0.00 41.12 40.82 3n4v n ASP 33 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3n4v s ILE 35 N -2.08 4.73 -0.16 0.00 1.01 0.06 -1.39 121.20 123.37 3n4v s ILE 35 Ca -0.02 -0.06 -0.04 0.00 0.00 0.00 0.00 60.65 60.53 3n4v s ILE 35 Cb -0.05 -3.09 -0.03 0.00 0.01 0.00 0.00 42.46 39.30 3n4v s ILE 35 CO -0.01 0.51 -0.03 0.00 0.00 0.00 0.00 174.94 175.41 3n4v s ALA 36 N -0.05 3.01 -0.13 9.38 0.00 -0.55 -1.01 121.76 132.41 3n4v s ALA 36 Ca 0.06 -0.85 -0.00 0.00 0.00 0.00 0.00 51.96 51.17 3n4v s ALA 36 Cb -0.12 -1.59 -0.02 0.00 0.00 0.00 0.00 23.12 21.39 3n4v s ALA 36 CO 0.01 0.15 -0.12 0.71 0.00 0.00 0.00 175.76 176.52 3n4v s TYR 37 N 0.47 2.84 -0.32 0.00 2.02 0.22 0.79 117.35 123.36 3n4v s TYR 37 Ca -0.03 -0.55 -0.18 0.00 -0.37 0.00 0.00 57.07 55.94 3n4v s TYR 37 Cb -0.14 -1.85 -0.01 0.00 -0.40 0.00 0.00 41.96 39.56 3n4v s TYR 37 CO 0.03 -0.15 0.50 -2.00 -1.57 0.00 0.00 175.55 172.35 3n4v s GLU 38 N 0.27 3.76 -0.12 -0.62 2.12 0.13 -1.23 118.70 123.01 3n4v s GLU 38 Ca -0.08 -0.03 0.02 0.00 0.36 0.00 0.00 54.97 55.23 3n4v s GLU 38 Cb -0.15 -3.76 -0.01 0.00 0.26 0.00 0.00 34.13 30.47 3n4v s GLU 38 CO 0.05 -0.55 -0.18 0.42 -0.54 0.00 0.00 175.26 174.46 3n4v s ILE 39 N 2.35 2.56 -1.23 -3.70 1.01 -0.53 -1.92 121.20 119.74 3n4v s ILE 39 Ca 0.19 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 60.00 3n4v s ILE 39 Cb -0.15 -2.03 0.00 0.00 0.01 0.00 0.00 42.46 40.28 3n4v s ILE 39 CO 0.12 0.54 0.00 0.59 0.00 0.00 0.00 174.94 176.19 3n4v n ASN 40 N 3.53 -3.43 0.00 3.58 3.02 0.89 -2.02 115.26 120.83 3n4v n ASN 40 Ca -0.19 0.27 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 3n4v n ASN 40 Cb 0.53 -3.13 0.00 0.00 -0.61 0.00 0.00 39.78 36.57 3n4v n ASN 40 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3n4v n ARG 41 N -2.11 0.00 -0.00 3.52 5.12 -1.26 -4.68 116.66 117.25 3n4v n ARG 41 Ca -0.13 0.00 0.01 0.00 -1.93 0.00 0.00 57.85 55.80 3n4v n ARG 41 Cb 0.46 -3.55 -0.02 0.00 -1.16 0.00 0.00 32.46 28.20 3n4v n ARG 41 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 3n4v n ASP 42 N 0.00 4.51 -4.33 0.55 8.00 -0.90 -4.95 116.55 119.43 3n4v n ASP 42 Ca 0.00 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.25 3n4v n ASP 42 Cb 0.00 1.06 -0.12 0.00 -0.02 0.00 0.00 41.12 42.04 3n4v n ASP 42 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3n4v s PHE 43 N -2.14 1.95 -0.26 1.24 0.08 -0.86 -0.96 117.98 117.03 3n4v s PHE 43 Ca -0.01 -0.42 0.01 0.00 0.12 0.00 0.00 56.93 56.64 3n4v s PHE 43 Cb 0.01 -1.03 0.05 0.00 -0.57 0.00 0.00 43.02 41.49 3n4v s PHE 43 CO 0.09 0.30 -0.09 0.42 -0.10 0.00 0.00 175.22 175.83 3n4v s ILE 44 N -1.44 2.42 -0.15 0.64 -1.09 0.73 -1.45 121.20 120.87 3n4v s ILE 44 Ca 0.12 -1.42 -0.15 0.00 -2.23 0.00 0.00 60.65 56.97 3n4v s ILE 44 Cb -0.09 -2.34 -0.04 0.00 -1.58 0.00 0.00 42.46 38.40 3n4v s ILE 44 CO 0.06 0.06 0.36 -0.36 -1.23 0.00 0.00 174.94 173.82 3n4v s PHE 45 N 1.19 3.47 -0.17 3.97 0.08 -0.36 -0.63 117.98 125.53 3n4v s PHE 45 Ca -0.05 0.69 -0.05 0.00 0.12 0.00 0.00 56.93 57.64 3n4v s PHE 45 Cb -0.19 -2.42 -0.03 0.00 -0.57 0.00 0.00 43.02 39.82 3n4v s PHE 45 CO -0.05 0.21 -0.01 0.15 -0.10 0.00 0.00 175.22 175.42 3n4v s LYS 46 N 0.54 3.71 -0.13 0.44 1.02 0.16 -0.61 119.74 124.87 3n4v s LYS 46 Ca 0.20 -0.49 0.02 0.00 0.02 0.00 0.00 55.97 55.72 3n4v s LYS 46 Cb -0.14 -3.01 0.00 0.00 -0.52 0.00 0.00 37.83 34.17 3n4v s LYS 46 CO 0.06 0.20 -0.20 -0.06 -0.92 0.00 0.00 175.35 174.43 3n4v s PHE 47 N 0.51 2.69 0.27 3.18 0.08 -0.18 -2.41 117.98 122.12 3n4v s PHE 47 Ca -0.02 -1.11 -0.29 0.00 0.12 0.00 0.00 56.93 55.63 3n4v s PHE 47 Cb -0.14 -1.81 -0.09 0.00 -0.57 0.00 0.00 43.02 40.41 3n4v s PHE 47 CO 0.02 -0.48 0.95 -1.25 -0.10 0.00 0.00 175.22 174.36 3n4v s PRO 48 N 0.65 4.76 0.09 0.24 0.05 -1.26 -0.76 135.00 138.76 3n4v s PRO 48 Ca -0.10 1.46 0.23 0.00 0.05 0.00 0.00 61.00 62.64 3n4v s PRO 48 Cb -0.16 -3.12 0.13 0.00 0.05 0.00 0.00 34.50 31.40 3n4v s PRO 48 CO 0.02 0.42 1.11 1.63 0.05 0.00 0.00 177.00 180.24 3n4v n LYS 49 N 1.17 0.34 -3.88 4.56 5.02 0.13 -4.91 118.16 120.59 3n4v n LYS 49 Ca -0.01 0.04 -0.08 0.00 -2.02 0.00 0.00 58.31 56.24 3n4v n LYS 49 Cb 0.48 -1.65 -0.01 0.00 -0.02 0.00 0.00 35.03 33.82 3n4v n LYS 49 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 3n4v s HIS 50 N -3.22 0.09 0.15 2.13 -3.43 -1.26 -1.81 115.29 107.93 3n4v s HIS 50 Ca 0.04 -0.58 -0.20 0.00 -0.80 0.00 0.00 55.06 53.51 3n4v s HIS 50 Cb 0.13 0.61 0.04 0.00 -1.43 0.00 0.00 32.58 31.94 3n4v s HIS 50 CO 0.78 -1.30 1.66 0.77 -2.00 0.00 0.00 174.74 174.64 3n4v h SER 51 N 2.05 -0.53 -0.89 7.38 0.02 -1.94 -0.84 113.55 118.80 3n4v h SER 51 Ca -0.25 0.12 0.10 0.00 -0.84 0.00 0.00 61.79 60.91 3n4v h SER 51 Cb 1.25 0.28 -0.06 0.00 0.14 0.00 0.00 62.40 64.01 3n4v h SER 51 CO 0.32 -0.20 0.57 -0.09 -1.14 0.00 0.00 176.83 176.30 3n4v h ARG 52 N -0.13 0.86 -0.38 3.45 9.65 -1.98 -0.60 114.38 125.25 3n4v h ARG 52 Ca 0.15 -0.05 -0.15 0.00 -1.10 0.00 0.00 59.98 58.83 3n4v h ARG 52 Cb 0.35 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 28.73 3n4v h ARG 52 CO -0.36 0.57 -0.35 0.78 2.80 0.00 0.00 179.97 183.41 3n4v h GLY 53 N 0.88 0.95 1.03 2.80 0.00 -1.49 -1.29 103.07 105.95 3n4v h GLY 53 Ca 0.41 -0.94 -0.05 0.00 0.00 0.00 0.00 47.33 46.75 3n4v h GLY 53 CO -0.18 0.85 0.22 0.23 0.00 0.00 0.00 176.54 177.66 3n4v h SER 54 N 0.73 0.96 -0.78 0.19 0.87 -0.54 0.28 113.55 115.26 3n4v h SER 54 Ca 0.07 -0.20 -0.05 0.00 -1.23 0.00 0.00 61.79 60.38 3n4v h SER 54 Cb 0.92 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.60 3n4v h SER 54 CO 0.09 0.91 0.29 0.74 -0.53 0.00 0.00 176.83 178.33 3n4v h THR 55 N 0.97 1.26 -0.34 2.23 2.02 -0.92 0.66 112.91 118.79 3n4v h THR 55 Ca 0.22 -0.84 -0.11 0.00 0.77 0.00 0.00 66.41 66.45 3n4v h THR 55 Cb 0.28 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 3n4v h THR 55 CO -0.01 0.34 -0.23 0.78 0.37 0.00 0.00 175.52 176.77 3n4v h ASN 56 N 1.13 0.66 0.02 4.18 2.35 -0.82 0.78 115.58 123.88 3n4v h ASN 56 Ca 0.26 -0.23 -0.11 0.00 -0.55 0.00 0.00 56.30 55.66 3n4v h ASN 56 Cb 0.24 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 3n4v h ASN 56 CO -0.02 0.88 -0.35 0.25 -1.65 0.00 0.00 177.43 176.53 3n4v h LEU 57 N 0.58 0.48 -0.02 1.61 5.85 -0.57 0.23 115.31 123.47 3n4v h LEU 57 Ca 0.08 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 3n4v h LEU 57 Cb 0.70 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.59 3n4v h LEU 57 CO 0.05 0.80 -0.01 0.15 -0.34 0.00 0.00 178.44 179.10 3n4v h PHE 58 N 0.39 0.05 -0.71 1.25 3.57 -0.53 -2.31 116.94 118.66 3n4v h PHE 58 Ca 0.04 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.66 3n4v h PHE 58 Cb 0.81 -0.01 -0.09 0.00 2.79 0.00 0.00 35.95 39.44 3n4v h PHE 58 CO 0.03 0.41 0.26 -0.97 -2.23 0.00 0.00 178.31 175.80 3n4v h ASN 59 N -0.32 0.22 -0.42 0.41 -1.24 -0.59 -2.05 115.58 111.59 3n4v h ASN 59 Ca 0.01 0.11 -0.03 0.00 0.71 0.00 0.00 56.30 57.09 3n4v h ASN 59 Cb 0.39 0.09 -0.02 0.00 0.73 0.00 0.00 38.32 39.52 3n4v h ASN 59 CO 0.00 0.09 0.14 -0.08 -1.29 0.00 0.00 177.43 176.29 3n4v h GLU 60 N 0.41 0.66 -0.10 6.67 4.81 -0.45 -1.19 114.58 125.38 3n4v h GLU 60 Ca 0.38 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.47 3n4v h GLU 60 Cb 0.56 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 3n4v h GLU 60 CO -0.39 0.64 0.06 0.28 -0.73 0.00 0.00 179.01 178.87 3n4v h VAL 61 N 0.54 1.07 -0.25 0.32 2.07 -1.11 0.29 116.25 119.18 3n4v h VAL 61 Ca 0.14 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.47 3n4v h VAL 61 Cb 0.25 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 3n4v h VAL 61 CO -0.01 0.07 0.14 -1.13 0.02 0.00 0.00 177.57 176.66 3n4v h ASN 62 N 0.09 0.22 -0.47 0.57 -0.73 -1.26 -0.82 115.58 113.17 3n4v h ASN 62 Ca 0.04 0.00 -0.06 0.00 1.87 0.00 0.00 56.30 58.15 3n4v h ASN 62 Cb 0.05 -0.04 -0.02 0.00 0.27 0.00 0.00 38.32 38.58 3n4v h ASN 62 CO -0.01 0.16 0.07 0.40 -0.37 0.00 0.00 177.43 177.69 3n4v h ILE 63 N 0.29 1.25 -0.62 2.57 2.04 -1.12 -2.53 117.51 119.39 3n4v h ILE 63 Ca 0.10 -0.92 -0.07 0.00 1.00 0.00 0.00 64.86 64.97 3n4v h ILE 63 Cb 0.00 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 3n4v h ILE 63 CO -0.05 0.32 0.11 -0.07 0.00 0.00 0.00 178.15 178.47 3n4v h LEU 64 N 0.65 0.95 -1.28 1.44 3.38 -0.70 -2.06 115.31 117.70 3n4v h LEU 64 Ca 0.14 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 3n4v h LEU 64 Cb 0.39 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3n4v h LEU 64 CO 0.01 0.94 0.19 0.11 0.09 0.00 0.00 178.44 179.78 3n4v h LYS 65 N 0.94 0.68 0.00 1.13 1.57 -1.02 -1.94 116.57 117.94 3n4v h LYS 65 Ca 0.19 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3n4v h LYS 65 Cb 0.39 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.58 3n4v h LYS 65 CO 0.01 0.57 -0.72 2.89 -0.57 0.00 0.00 179.45 181.62 3n4v n ARG 66 N -4.35 0.18 -0.06 3.15 1.85 -0.97 -3.65 116.66 112.82 3n4v n ARG 66 Ca 0.04 0.03 0.05 0.00 -1.00 0.00 0.00 57.85 56.96 3n4v n ARG 66 Cb 0.16 -1.59 0.07 0.00 -1.05 0.00 0.00 32.46 30.05 3n4v n ARG 66 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06 3n4v n ILE 67 N -1.84 0.39 -1.63 8.89 -5.35 -0.81 -5.01 119.36 114.01 3n4v n ILE 67 Ca 0.04 -0.69 -0.58 0.00 -0.27 0.00 0.00 62.75 61.24 3n4v n ILE 67 Cb 0.40 0.93 -0.08 0.00 -1.74 0.00 0.00 39.64 39.15 3n4v n ILE 67 CO 0.00 0.00 0.00 1.57 -1.76 0.00 0.00 176.55 176.36 3n4v n HIS 68 N 0.47 1.47 -2.52 4.28 -0.00 -0.73 -1.81 115.22 116.37 3n4v n HIS 68 Ca 0.07 0.82 -0.15 0.00 0.46 0.00 0.00 57.72 58.92 3n4v n HIS 68 Cb 0.30 -2.28 0.01 0.00 -0.12 0.00 0.00 29.99 27.90 3n4v n HIS 68 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 3n4v n ASN 69 N 3.24 -4.61 0.00 0.26 3.02 -1.26 -4.88 115.26 111.03 3n4v n ASN 69 Ca 0.23 -0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 3n4v n ASN 69 Cb 0.10 -3.63 0.00 0.00 -0.61 0.00 0.00 39.78 35.64 3n4v n ASN 69 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3n4v n LYS 70 N -2.71 0.15 -4.43 3.52 5.02 -0.75 -5.08 118.16 113.87 3n4v n LYS 70 Ca -0.13 -0.65 -0.25 0.00 -2.02 0.00 0.00 58.31 55.26 3n4v n LYS 70 Cb 0.61 -0.88 -0.11 0.00 -0.02 0.00 0.00 35.03 34.63 3n4v n LYS 70 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3n4v s LEU 71 N -0.23 2.57 0.00 -0.35 1.43 -1.26 -4.89 118.68 115.95 3n4v s LEU 71 Ca 0.00 -0.92 0.31 0.00 -1.03 0.00 0.00 54.13 52.48 3n4v s LEU 71 Cb 0.00 -1.18 1.64 0.00 0.03 0.00 0.00 46.19 46.67 3n4v s LEU 71 CO 0.00 0.08 2.08 -0.81 0.23 0.00 0.00 176.35 177.93 3n4v n PRO 72 N -0.23 0.96 -4.27 1.29 -0.05 -1.26 -4.79 135.00 126.66 3n4v n PRO 72 Ca -0.08 -0.17 -0.22 0.00 -0.05 0.00 0.00 63.50 62.98 3n4v n PRO 72 Cb 0.58 -1.50 -0.12 0.00 -0.05 0.00 0.00 33.50 32.41 3n4v n PRO 72 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 175.50 174.94 3n4v s LEU 73 N -2.15 2.32 0.46 1.53 1.43 -1.26 -5.02 118.68 115.99 3n4v s LEU 73 Ca 0.41 -0.71 -0.24 0.00 -1.03 0.00 0.00 54.13 52.56 3n4v s LEU 73 Cb 0.21 -0.78 -0.07 0.00 0.03 0.00 0.00 46.19 45.58 3n4v s LEU 73 CO 0.39 0.00 1.29 -2.84 0.23 0.00 0.00 176.35 175.43 3n4v s PRO 74 N -2.06 3.67 0.12 1.29 0.02 -1.26 -4.85 135.00 131.92 3n4v s PRO 74 Ca 0.06 2.09 0.03 0.00 0.02 0.00 0.00 61.00 63.21 3n4v s PRO 74 Cb -0.09 -2.52 -0.04 0.00 0.02 0.00 0.00 34.50 31.87 3n4v s PRO 74 CO 0.04 -0.72 -0.09 0.96 -0.33 0.00 0.00 177.00 176.87 3n4v s ILE 75 N -1.34 0.96 0.93 2.83 -4.36 -1.26 -1.79 121.20 117.16 3n4v s ILE 75 Ca 0.63 -1.95 -0.11 0.00 -0.26 0.00 0.00 60.65 58.96 3n4v s ILE 75 Cb -0.36 -1.71 0.13 0.00 1.25 0.00 0.00 42.46 41.76 3n4v s ILE 75 CO 0.45 -0.76 0.99 -2.65 0.24 0.00 0.00 174.94 173.21 3n4v n PRO 76 N -0.02 -0.44 -5.02 0.37 -0.02 -1.26 -5.00 135.00 123.61 3n4v n PRO 76 Ca -0.12 -0.07 -0.28 0.00 -2.02 0.00 0.00 63.50 61.02 3n4v n PRO 76 Cb 0.60 -2.27 -0.16 0.00 -0.02 0.00 0.00 33.50 31.66 3n4v n PRO 76 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3n4v s GLU 77 N -4.43 1.82 -0.06 -0.52 2.12 -1.26 -4.92 118.70 111.45 3n4v s GLU 77 Ca 0.65 -0.74 -0.26 0.00 0.36 0.00 0.00 54.97 54.97 3n4v s GLU 77 Cb -0.23 -1.69 -0.03 0.00 0.26 0.00 0.00 34.13 32.44 3n4v s GLU 77 CO 0.60 0.40 0.84 0.08 -0.54 0.00 0.00 175.26 176.64 3n4v s VAL 78 N -0.35 4.94 0.00 3.70 1.01 -1.26 -1.08 120.40 127.36 3n4v s VAL 78 Ca 0.04 1.74 0.00 0.00 0.00 0.00 0.00 61.98 63.76 3n4v s VAL 78 Cb -0.09 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.11 3n4v s VAL 78 CO 0.00 0.16 0.00 0.55 0.00 0.00 0.00 175.10 175.82 3n4v n VAL 79 N 4.04 0.00 -4.82 2.92 3.14 -0.32 -4.96 118.33 118.33 3n4v n VAL 79 Ca 0.03 0.00 -0.29 0.00 -2.96 0.00 0.00 64.34 61.12 3n4v n VAL 79 Cb 0.51 -0.56 -0.14 0.00 -1.06 0.00 0.00 33.84 32.58 3n4v n VAL 79 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 3n4v s PHE 80 N -1.62 2.21 0.09 1.45 0.08 -0.69 -4.95 117.98 114.55 3n4v s PHE 80 Ca 0.00 -0.40 0.03 0.00 0.12 0.00 0.00 56.93 56.68 3n4v s PHE 80 Cb 0.00 -1.31 -0.03 0.00 -0.57 0.00 0.00 43.02 41.10 3n4v s PHE 80 CO 0.00 0.13 -0.10 0.95 -0.10 0.00 0.00 175.22 176.11 3n4v s THR 81 N -0.82 0.87 0.00 0.64 -4.23 -1.26 -0.73 115.64 110.11 3n4v s THR 81 Ca 0.11 -1.59 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 3n4v s THR 81 Cb -0.10 -1.29 0.00 0.00 1.34 0.00 0.00 72.50 72.45 3n4v s THR 81 CO 0.02 -0.56 0.00 0.61 -0.54 0.00 0.00 174.62 174.15 3n4v n GLY 82 N 0.63 1.79 3.24 3.99 0.00 -0.24 -4.89 105.19 109.71 3n4v n GLY 82 Ca -0.17 -1.87 -0.10 0.00 0.00 0.00 0.00 46.02 43.89 3n4v n GLY 82 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3n4v s MET 83 N 3.50 0.90 0.85 1.61 -1.94 -0.46 -4.89 119.30 118.88 3n4v s MET 83 Ca 0.00 -0.82 -0.15 0.00 -1.71 0.00 0.00 55.69 53.01 3n4v s MET 83 Cb 0.00 0.38 -0.03 0.00 2.01 0.00 0.00 34.83 37.19 3n4v s MET 83 CO 0.00 -0.31 0.26 -2.30 -0.01 0.00 0.00 175.02 172.66 3n4v n PRO 84 N -0.02 -0.01 -3.15 2.03 -0.02 -0.74 -4.15 135.00 128.93 3n4v n PRO 84 Ca -0.16 0.03 0.04 0.00 -2.02 0.00 0.00 63.50 61.40 3n4v n PRO 84 Cb 0.62 -1.69 -0.00 0.00 -0.02 0.00 0.00 33.50 32.42 3n4v n PRO 84 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3n4v s SER 85 N -1.62 -1.50 0.80 2.55 1.04 0.92 -4.97 113.70 110.92 3n4v s SER 85 Ca 0.58 0.17 0.00 0.00 0.48 0.00 0.00 55.95 57.17 3n4v s SER 85 Cb -0.27 1.95 0.00 0.00 0.10 0.00 0.00 66.02 67.80 3n4v s SER 85 CO 0.66 -0.27 0.00 -0.62 0.98 0.00 0.00 173.24 173.99 3n4v n GLU 86 N 5.37 0.00 -0.09 4.02 1.02 -1.26 -1.55 120.64 128.15 3n4v n GLU 86 Ca 0.06 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.09 3n4v n GLU 86 Cb 0.54 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.93 3n4v n GLU 86 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 3n4v h THR 87 N 0.00 1.25 -3.15 2.62 1.35 -2.02 -3.44 112.91 109.52 3n4v h THR 87 Ca 0.00 -0.88 -0.53 0.00 -0.55 0.00 0.00 66.41 64.44 3n4v h THR 87 Cb 0.00 1.30 0.01 0.00 -1.73 0.00 0.00 68.15 67.73 3n4v h THR 87 CO 0.00 0.28 0.60 -0.31 -0.25 0.00 0.00 175.52 175.84 3n4v s TYR 88 N -5.04 3.39 -0.02 4.73 4.12 -0.60 -4.89 117.35 119.04 3n4v s TYR 88 Ca -0.14 1.22 -0.26 0.00 0.02 0.00 0.00 57.07 57.92 3n4v s TYR 88 Cb 0.08 -3.48 -0.20 0.00 -1.52 0.00 0.00 41.96 36.83 3n4v s TYR 88 CO 0.75 -1.54 1.26 1.96 0.02 0.00 0.00 175.55 178.00 3n4v h GLN 89 N 6.77 0.03 0.00 -0.62 4.20 -1.85 0.26 115.11 123.90 3n4v h GLN 89 Ca -0.42 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.28 3n4v h GLN 89 Cb 1.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.99 3n4v h GLN 89 CO 0.82 0.52 0.00 -1.33 -0.67 0.00 0.00 178.83 178.17 3n4v n MET 90 N -4.83 0.00 0.00 1.46 2.81 -1.25 -1.79 117.12 113.51 3n4v n MET 90 Ca -0.08 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.81 3n4v n MET 90 Cb 0.26 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.77 3n4v n MET 90 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3n4v n SER 91 N 0.00 0.00 -3.77 7.83 3.41 -1.26 -1.36 113.62 118.47 3n4v n SER 91 Ca 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.65 3n4v n SER 91 Cb 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 63.96 3n4v n SER 91 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3n4v s PHE 92 N -0.64 -0.00 -0.12 7.33 -0.12 -1.26 -4.41 117.98 118.76 3n4v s PHE 92 Ca 0.00 -0.04 -0.30 0.00 -0.05 0.00 0.00 56.93 56.54 3n4v s PHE 92 Cb 0.00 0.52 0.10 0.00 -0.63 0.00 0.00 43.02 43.01 3n4v s PHE 92 CO 0.00 -0.10 0.83 0.00 -0.05 0.00 0.00 175.22 175.90 3n4v s ALA 93 N -2.07 -1.85 -0.14 1.99 0.00 -1.01 -1.08 121.76 117.60 3n4v s ALA 93 Ca 0.23 1.50 0.02 0.00 0.00 0.00 0.00 51.96 53.71 3n4v s ALA 93 Cb 0.03 -0.43 0.01 0.00 0.00 0.00 0.00 23.12 22.73 3n4v s ALA 93 CO -0.04 -0.34 -0.21 0.20 0.00 0.00 0.00 175.76 175.38 3n4v s GLY 94 N -1.00 1.38 0.17 0.00 0.00 0.10 -0.67 107.32 107.30 3n4v s GLY 94 Ca -0.06 -1.08 0.09 0.00 0.00 0.00 0.00 44.72 43.68 3n4v s GLY 94 CO 0.05 -0.03 -0.14 -1.36 0.00 0.00 0.00 173.10 171.63 3n4v s PHE 95 N 0.79 2.57 0.46 1.90 0.08 0.20 -1.17 117.98 122.80 3n4v s PHE 95 Ca -0.07 -0.25 -0.25 0.00 0.12 0.00 0.00 56.93 56.48 3n4v s PHE 95 Cb -0.16 -1.28 -0.08 0.00 -0.57 0.00 0.00 43.02 40.94 3n4v s PHE 95 CO -0.01 0.48 1.37 0.95 -0.10 0.00 0.00 175.22 177.91 3n4v s THR 96 N -1.56 2.23 -0.12 0.64 -4.23 -0.24 -0.19 115.64 112.17 3n4v s THR 96 Ca 0.23 0.20 -0.25 0.00 -1.18 0.00 0.00 61.69 60.68 3n4v s THR 96 Cb -0.09 -3.11 -0.02 0.00 1.34 0.00 0.00 72.50 70.61 3n4v s THR 96 CO 0.13 0.02 0.80 -0.75 -0.54 0.00 0.00 174.62 174.28 3n4v s LYS 97 N -2.52 4.37 -0.33 3.99 2.20 -0.13 -4.37 119.74 122.95 3n4v s LYS 97 Ca 0.63 1.00 -0.18 0.00 -0.36 0.00 0.00 55.97 57.05 3n4v s LYS 97 Cb -0.41 -3.52 -0.01 0.00 -1.51 0.00 0.00 37.83 32.38 3n4v s LYS 97 CO 0.52 -0.17 0.51 0.42 -0.36 0.00 0.00 175.35 176.27 3n4v s ILE 98 N 1.58 5.03 0.55 5.43 1.01 -1.26 -4.95 121.20 128.58 3n4v s ILE 98 Ca 0.39 0.43 -0.21 0.00 0.00 0.00 0.00 60.65 61.27 3n4v s ILE 98 Cb -0.17 -3.94 -0.05 0.00 0.01 0.00 0.00 42.46 38.31 3n4v s ILE 98 CO 0.16 -0.16 1.27 -0.54 0.00 0.00 0.00 174.94 175.67 3n4v s LYS 99 N 2.38 3.19 0.00 2.79 -0.14 -1.26 -4.87 119.74 121.82 3n4v s LYS 99 Ca 0.19 2.01 0.00 0.00 -1.36 0.00 0.00 55.97 56.81 3n4v s LYS 99 Cb -0.15 -2.17 0.00 0.00 -1.68 0.00 0.00 37.83 33.83 3n4v s LYS 99 CO 0.13 -1.08 0.00 0.41 -0.76 0.00 0.00 175.35 174.04 3n4v n GLY 100 N 0.62 1.10 3.17 -3.33 0.00 -1.26 -4.84 105.19 100.66 3n4v n GLY 100 Ca 0.11 -1.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.08 3n4v n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3n4v s VAL 101 N -1.08 0.02 0.32 1.61 1.01 -0.69 -4.83 120.40 116.76 3n4v s VAL 101 Ca 0.00 -0.20 -0.29 0.00 0.00 0.00 0.00 61.98 61.49 3n4v s VAL 101 Cb 0.00 -0.45 -0.11 0.00 0.00 0.00 0.00 36.38 35.82 3n4v s VAL 101 CO 0.00 -0.11 1.57 -2.84 0.00 0.00 0.00 175.10 173.72 3n4v s PRO 102 N -0.39 4.11 -1.33 2.72 0.02 -1.26 0.15 135.00 139.02 3n4v s PRO 102 Ca -0.05 2.60 -0.17 0.00 0.02 0.00 0.00 61.00 63.40 3n4v s PRO 102 Cb -0.03 -3.00 0.04 0.00 0.02 0.00 0.00 34.50 31.53 3n4v s PRO 102 CO 0.01 -0.62 1.93 -0.11 -0.33 0.00 0.00 177.00 177.88 3n4v n LEU 103 N 1.63 5.46 -4.76 -5.54 7.94 0.11 -4.73 117.00 117.11 3n4v n LEU 103 Ca 0.06 -3.91 -0.34 0.00 -1.11 0.00 0.00 56.01 50.71 3n4v n LEU 103 Cb 0.38 -1.69 0.04 0.00 0.53 0.00 0.00 43.42 42.68 3n4v n LEU 103 CO 0.64 0.34 0.77 0.28 -1.11 0.00 0.00 177.39 178.31 3n4v s THR 104 N 4.32 3.01 0.47 1.96 -1.32 -1.26 -4.67 115.64 118.15 3n4v s THR 104 Ca 0.53 0.52 0.14 0.00 -1.21 0.00 0.00 61.69 61.66 3n4v s THR 104 Cb 0.08 -3.08 0.23 0.00 -1.51 0.00 0.00 72.50 68.22 3n4v s THR 104 CO 0.03 -0.25 2.07 -0.65 -2.21 0.00 0.00 174.62 173.61 3n4v h PRO 105 N 0.28 0.10 0.01 7.08 0.11 -1.90 -0.06 132.00 137.63 3n4v h PRO 105 Ca -0.48 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 3n4v h PRO 105 Cb 1.26 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3n4v h PRO 105 CO 0.54 0.14 -0.01 1.25 -0.21 0.00 0.00 178.00 179.72 3n4v h LEU 106 N 0.10 -0.01 -0.29 2.35 5.85 -1.95 -1.01 115.31 120.35 3n4v h LEU 106 Ca 0.02 -0.20 0.06 0.00 0.84 0.00 0.00 57.88 58.61 3n4v h LEU 106 Cb 0.12 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 3n4v h LEU 106 CO 0.00 0.19 -0.12 0.25 -0.34 0.00 0.00 178.44 178.43 3n4v h LEU 107 N -0.22 -0.40 -0.11 2.25 5.85 -1.84 -1.76 115.31 119.07 3n4v h LEU 107 Ca -0.00 0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.86 3n4v h LEU 107 Cb 0.21 0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.42 3n4v h LEU 107 CO 0.00 -0.15 -0.18 0.25 -0.34 0.00 0.00 178.44 178.02 3n4v h LEU 108 N -0.06 -0.57 -1.74 2.25 5.85 -0.89 -2.58 115.31 117.58 3n4v h LEU 108 Ca 0.15 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 3n4v h LEU 108 Cb 0.29 0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.57 3n4v h LEU 108 CO -0.33 -0.24 -0.11 -1.13 -0.34 0.00 0.00 178.44 176.29 3n4v h ASN 109 N -0.24 0.00 0.75 1.25 -1.24 -0.95 -1.87 115.58 113.28 3n4v h ASN 109 Ca 0.09 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.10 3n4v h ASN 109 Cb 0.37 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.42 3n4v h ASN 109 CO -0.25 0.11 -0.06 0.59 -1.29 0.00 0.00 177.43 176.52 3n4v n ASN 110 N -3.39 0.10 -4.82 1.15 3.02 -0.68 -4.92 115.26 105.71 3n4v n ASN 110 Ca -0.01 0.11 -0.33 0.00 -0.03 0.00 0.00 54.58 54.32 3n4v n ASN 110 Cb 0.28 -0.31 -0.06 0.00 -0.61 0.00 0.00 39.78 39.08 3n4v n ASN 110 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3n4v s LEU 111 N -2.81 3.88 0.74 3.41 1.02 -0.70 -5.03 118.68 119.19 3n4v s LEU 111 Ca 0.20 1.68 -0.16 0.00 0.02 0.00 0.00 54.13 55.88 3n4v s LEU 111 Cb 0.19 -4.54 -0.01 0.00 0.02 0.00 0.00 46.19 41.86 3n4v s LEU 111 CO 0.52 -0.43 0.74 -2.65 0.02 0.00 0.00 176.35 174.55 3n4v n PRO 112 N -0.83 0.33 -0.27 1.29 -0.02 -1.26 -4.72 135.00 129.52 3n4v n PRO 112 Ca 0.07 0.16 -0.04 0.00 -2.02 0.00 0.00 63.50 61.67 3n4v n PRO 112 Cb 0.54 -2.03 0.11 0.00 -0.02 0.00 0.00 33.50 32.10 3n4v n PRO 112 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3n4v h LYS 113 N -0.44 1.13 -0.44 -0.52 1.79 -1.96 -0.88 116.57 115.24 3n4v h LYS 113 Ca -0.46 -0.18 -0.10 0.00 -2.18 0.00 0.00 60.65 57.72 3n4v h LYS 113 Cb 1.34 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 31.77 3n4v h LYS 113 CO 0.44 0.90 -0.14 -0.56 -1.08 0.00 0.00 179.45 179.00 3n4v h GLN 114 N 1.12 0.82 0.00 3.15 3.07 -1.99 -0.59 115.11 120.69 3n4v h GLN 114 Ca 0.26 -0.30 -0.06 0.00 0.09 0.00 0.00 58.65 58.65 3n4v h GLN 114 Cb 0.17 -0.06 -0.01 0.00 0.08 0.00 0.00 27.48 27.66 3n4v h GLN 114 CO -0.03 0.92 -0.27 0.77 0.09 0.00 0.00 178.83 180.31 3n4v h SER 115 N 0.74 0.00 -0.33 0.06 0.02 -1.79 0.88 113.55 113.12 3n4v h SER 115 Ca 0.12 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.90 3n4v h SER 115 Cb 0.65 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.19 3n4v h SER 115 CO 0.05 0.27 -0.46 1.56 -1.14 0.00 0.00 176.83 177.11 3n4v h GLN 116 N 0.00 0.89 -0.45 3.45 4.20 -0.38 -2.77 115.11 120.05 3n4v h GLN 116 Ca -0.00 -0.52 -0.11 0.00 0.06 0.00 0.00 58.65 58.08 3n4v h GLN 116 Cb 0.60 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 3n4v h GLN 116 CO 0.04 1.16 -0.14 -0.91 -0.67 0.00 0.00 178.83 178.31 3n4v h ASN 117 N 0.69 0.90 -0.16 1.46 -0.26 -0.49 -2.33 115.58 115.40 3n4v h ASN 117 Ca 0.04 -0.37 -0.06 0.00 -0.56 0.00 0.00 56.30 55.34 3n4v h ASN 117 Cb 1.06 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 38.06 3n4v h ASN 117 CO 0.11 1.07 -0.08 -0.61 -1.06 0.00 0.00 177.43 176.86 3n4v h GLN 118 N 0.73 0.50 0.05 0.81 5.75 -0.90 -2.09 115.11 119.96 3n4v h GLN 118 Ca 0.11 -0.13 -0.00 0.00 -0.15 0.00 0.00 58.65 58.48 3n4v h GLN 118 Cb 0.69 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.18 3n4v h GLN 118 CO 0.05 0.59 -0.02 0.00 -2.65 0.00 0.00 178.83 176.79 3n4v h ALA 119 N 1.45 -0.07 -0.90 3.38 0.00 -1.18 -0.90 119.26 121.05 3n4v h ALA 119 Ca 0.09 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.01 3n4v h ALA 119 Cb 0.43 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.17 3n4v h ALA 119 CO 0.02 -0.44 0.53 0.00 0.00 0.00 0.00 179.25 179.36 3n4v h ALA 120 N 0.68 1.32 -0.08 0.00 0.00 -1.26 0.19 119.26 120.11 3n4v h ALA 120 Ca -0.01 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3n4v h ALA 120 Cb 0.23 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3n4v h ALA 120 CO 0.01 0.13 0.04 -0.22 0.00 0.00 0.00 179.25 179.22 3n4v h LYS 121 N 0.86 0.11 -0.27 0.00 3.64 -1.18 -1.00 116.57 118.72 3n4v h LYS 121 Ca 0.44 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.74 3n4v h LYS 121 Cb 0.44 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 3n4v h LYS 121 CO -0.26 0.16 -0.12 -0.44 -2.27 0.00 0.00 179.45 176.51 3n4v h ASP 122 N 0.04 0.44 -0.11 4.20 3.32 -0.31 0.35 116.42 124.34 3n4v h ASP 122 Ca 0.03 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 56.94 3n4v h ASP 122 Cb 0.08 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 3n4v h ASP 122 CO -0.00 0.59 -0.05 -0.07 -1.72 0.00 0.00 179.24 177.99 3n4v h LEU 123 N 0.42 0.24 -0.62 1.55 -0.00 -0.89 -1.69 115.31 114.33 3n4v h LEU 123 Ca 0.08 -0.40 0.10 0.00 -0.00 0.00 0.00 57.88 57.65 3n4v h LEU 123 Cb 0.47 -0.07 -0.07 0.00 -0.00 0.00 0.00 40.66 40.99 3n4v h LEU 123 CO 0.03 0.59 0.23 0.00 -0.00 0.00 0.00 178.44 179.28 3n4v h ALA 124 N 0.66 0.80 -0.38 1.53 0.00 -0.59 -0.89 119.26 120.38 3n4v h ALA 124 Ca 0.03 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3n4v h ALA 124 Cb 0.49 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3n4v h ALA 124 CO 0.02 -0.19 0.02 -0.09 0.00 0.00 0.00 179.25 179.00 3n4v h ARG 125 N 0.41 0.67 -0.35 0.00 2.43 -0.88 -0.92 114.38 115.73 3n4v h ARG 125 Ca 0.31 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3n4v h ARG 125 Cb 0.39 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 3n4v h ARG 125 CO -0.31 0.76 0.23 0.35 -1.51 0.00 0.00 179.97 179.48 3n4v h PHE 126 N 0.49 0.45 -0.21 2.20 3.57 -0.67 -1.28 116.94 121.49 3n4v h PHE 126 Ca 0.11 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.48 3n4v h PHE 126 Cb 0.44 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 3n4v h PHE 126 CO 0.03 0.29 -0.46 -0.07 -2.23 0.00 0.00 178.31 175.88 3n4v h LEU 127 N 0.47 0.58 -0.65 0.59 3.38 -1.02 0.20 115.31 118.86 3n4v h LEU 127 Ca 0.13 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 57.85 3n4v h LEU 127 Cb -0.04 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 3n4v h LEU 127 CO -0.03 0.96 0.40 -1.28 0.09 0.00 0.00 178.44 178.58 3n4v h SER 128 N 0.44 0.65 0.09 -0.43 0.87 -0.86 0.17 113.55 114.49 3n4v h SER 128 Ca 0.03 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.59 3n4v h SER 128 Cb 0.97 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 3n4v h SER 128 CO 0.09 0.45 -0.05 -0.33 -0.53 0.00 0.00 176.83 176.46 3n4v h GLU 129 N 0.78 -0.12 -0.68 2.24 4.39 -0.95 -2.76 114.58 117.48 3n4v h GLU 129 Ca 0.27 0.01 0.15 0.00 0.34 0.00 0.00 59.36 60.12 3n4v h GLU 129 Cb 0.04 0.03 -0.12 0.00 -0.10 0.00 0.00 28.75 28.60 3n4v h GLU 129 CO -0.11 0.37 0.00 1.25 -1.16 0.00 0.00 179.01 179.36 3n4v h LEU 130 N -0.71 -0.31 0.00 1.33 5.85 -0.48 -1.20 115.31 119.80 3n4v h LEU 130 Ca -0.01 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3n4v h LEU 130 Cb 0.55 0.31 0.00 0.00 0.37 0.00 0.00 40.66 41.88 3n4v h LEU 130 CO 0.02 -0.14 0.00 1.41 -0.34 0.00 0.00 178.44 179.39 3n4v n HIS 131 N -5.31 0.00 0.96 1.25 8.25 0.60 -2.60 115.22 118.37 3n4v n HIS 131 Ca 0.11 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.67 3n4v n HIS 131 Cb 0.41 -0.32 -0.07 0.00 1.12 0.00 0.00 29.99 31.13 3n4v n HIS 131 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3n4v n SER 132 N -1.32 1.40 -4.71 0.41 7.64 -0.48 -4.68 113.62 111.88 3n4v n SER 132 Ca 0.12 -1.20 -0.42 0.00 1.01 0.00 0.00 58.87 58.38 3n4v n SER 132 Cb 0.25 0.77 -0.03 0.00 -1.01 0.00 0.00 64.21 64.19 3n4v n SER 132 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3n4v s ILE 133 N -2.70 2.34 0.18 0.44 1.01 -1.07 -4.90 121.20 116.51 3n4v s ILE 133 Ca 0.12 0.18 -0.32 0.00 0.00 0.00 0.00 60.65 60.64 3n4v s ILE 133 Cb 0.16 -3.12 -0.11 0.00 0.01 0.00 0.00 42.46 39.40 3n4v s ILE 133 CO 0.71 0.01 1.76 0.21 0.00 0.00 0.00 174.94 177.63 3n4v s ASN 134 N 1.47 6.39 0.00 3.58 3.84 -1.26 -4.67 114.94 124.29 3n4v s ASN 134 Ca 0.74 2.84 0.20 0.00 0.21 0.00 0.00 52.86 56.85 3n4v s ASN 134 Cb -0.47 -2.59 0.26 0.00 -0.55 0.00 0.00 41.25 37.90 3n4v s ASN 134 CO 0.32 -0.99 1.23 0.00 -2.79 0.00 0.00 177.10 174.88 3n4v n ILE 135 N 4.24 0.23 -0.30 -5.21 0.13 -1.26 -4.67 119.36 112.51 3n4v n ILE 135 Ca 0.17 -0.62 0.05 0.00 -1.10 0.00 0.00 62.75 61.25 3n4v n ILE 135 Cb 0.36 1.22 0.20 0.00 -0.84 0.00 0.00 39.64 40.58 3n4v n ILE 135 CO 0.00 0.00 0.00 0.28 2.80 0.00 0.00 176.55 179.63 3n4v h SER 136 N 3.99 0.65 -0.08 9.51 0.02 -2.03 -2.72 113.55 122.89 3n4v h SER 136 Ca 0.00 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3n4v h SER 136 Cb 0.88 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.36 3n4v h SER 136 CO 0.00 0.33 0.00 0.61 -1.14 0.00 0.00 176.83 176.63 3n4v n GLY 137 N -1.32 0.11 3.75 -3.77 0.00 -1.26 -4.89 105.19 97.81 3n4v n GLY 137 Ca 0.16 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 3n4v n GLY 137 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3n4v s PHE 138 N -1.90 3.52 0.99 1.61 2.99 -1.03 -5.04 117.98 119.11 3n4v s PHE 138 Ca 0.35 1.57 -0.16 0.00 0.00 0.00 0.00 56.93 58.69 3n4v s PHE 138 Cb 0.19 -3.34 0.21 0.00 0.00 0.00 0.00 43.02 40.08 3n4v s PHE 138 CO 0.30 -0.82 1.30 0.15 -0.00 0.00 0.00 175.22 176.15 3n4v s LYS 139 N -0.73 0.43 0.20 0.44 1.02 -1.26 -4.99 119.74 114.85 3n4v s LYS 139 Ca 0.49 -0.37 0.00 0.00 0.02 0.00 0.00 55.97 56.11 3n4v s LYS 139 Cb -0.32 -1.82 0.14 0.00 -0.52 0.00 0.00 37.83 35.32 3n4v s LYS 139 CO 0.38 -2.56 1.50 0.66 -0.92 0.00 0.00 175.35 174.40 3n4v h SER 140 N -1.75 0.44 0.00 2.83 4.64 -1.96 -3.01 113.55 114.75 3n4v h SER 140 Ca -0.44 -0.26 0.00 0.00 -0.47 0.00 0.00 61.79 60.61 3n4v h SER 140 Cb 1.24 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3n4v h SER 140 CO 0.38 0.96 0.31 -0.55 -0.87 0.00 0.00 176.83 177.06 3n4v h ASN 141 N 0.28 0.00 0.11 4.97 7.08 -2.04 0.15 115.58 126.14 3n4v h ASN 141 Ca -0.01 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.21 3n4v h ASN 141 Cb 1.18 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.42 3n4v h ASN 141 CO 0.11 0.00 -1.04 0.18 -2.08 0.00 0.00 177.43 174.60 3n4v n LEU 142 N -2.88 0.79 -4.85 6.14 4.77 -1.14 -4.95 117.00 114.89 3n4v n LEU 142 Ca -0.02 -0.33 -0.32 0.00 -0.03 0.00 0.00 56.01 55.31 3n4v n LEU 142 Cb 0.36 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.34 3n4v n LEU 142 CO 0.14 0.18 0.41 -0.69 -1.33 0.00 0.00 177.39 176.10 3n4v s VAL 143 N -3.08 4.70 -0.44 4.08 1.01 0.53 -1.19 120.40 126.02 3n4v s VAL 143 Ca 0.06 0.89 0.04 0.00 0.00 0.00 0.00 61.98 62.97 3n4v s VAL 143 Cb 0.16 -3.62 0.12 0.00 0.00 0.00 0.00 36.38 33.04 3n4v s VAL 143 CO 0.84 -0.20 0.17 -0.22 0.00 0.00 0.00 175.10 175.70 3n4v s LEU 144 N -3.04 4.54 -0.59 3.92 0.20 -0.56 -4.88 118.68 118.27 3n4v s LEU 144 Ca 0.54 -2.64 -0.27 0.00 0.69 0.00 0.00 54.13 52.45 3n4v s LEU 144 Cb -0.10 -1.64 0.00 0.00 -0.43 0.00 0.00 46.19 44.02 3n4v s LEU 144 CO 0.19 -0.30 1.59 -0.62 -0.29 0.00 0.00 176.35 176.91 3n4v s ASP 145 N 0.26 5.80 0.12 3.68 -1.08 -1.26 -4.81 116.67 119.37 3n4v s ASP 145 Ca 0.14 0.27 -0.15 0.00 -0.52 0.00 0.00 52.55 52.30 3n4v s ASP 145 Cb -0.23 -2.54 -0.04 0.00 -1.46 0.00 0.00 42.92 38.65 3n4v s ASP 145 CO -0.04 -1.98 1.53 0.15 0.52 0.00 0.00 175.17 175.36 3n4v h PHE 146 N 12.49 0.77 -0.33 -5.34 3.57 -1.96 -0.57 116.94 125.55 3n4v h PHE 146 Ca -0.27 -0.16 -0.07 0.00 3.53 0.00 0.00 57.97 61.00 3n4v h PHE 146 Cb 1.12 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.65 3n4v h PHE 146 CO 1.05 0.82 -0.08 -0.09 -2.23 0.00 0.00 178.31 177.78 3n4v h ARG 147 N 0.49 0.55 -0.39 1.11 2.43 -1.92 0.03 114.38 116.68 3n4v h ARG 147 Ca 0.10 -0.15 -0.08 0.00 -0.81 0.00 0.00 59.98 59.04 3n4v h ARG 147 Cb 0.56 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 3n4v h ARG 147 CO 0.03 0.64 -0.07 1.49 -1.51 0.00 0.00 179.97 180.55 3n4v h GLU 148 N 0.52 0.73 -0.29 0.20 4.57 -1.89 -0.86 114.58 117.56 3n4v h GLU 148 Ca 0.10 -0.27 0.05 0.00 -1.18 0.00 0.00 59.36 58.06 3n4v h GLU 148 Cb 0.46 -0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.95 3n4v h GLU 148 CO 0.02 0.86 -0.01 -0.22 -1.18 0.00 0.00 179.01 178.49 3n4v h LYS 149 N 0.54 0.08 -0.76 1.92 1.63 -0.51 -0.20 116.57 119.27 3n4v h LYS 149 Ca 0.10 -0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.84 3n4v h LYS 149 Cb 0.57 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.15 3n4v h LYS 149 CO 0.03 0.05 0.24 0.82 -3.45 0.00 0.00 179.45 177.15 3n4v h ILE 150 N 0.08 1.26 -0.71 2.00 1.08 -0.92 -0.37 117.51 119.94 3n4v h ILE 150 Ca 0.14 -0.91 -0.00 0.00 -0.39 0.00 0.00 64.86 63.69 3n4v h ILE 150 Cb 0.18 0.42 -0.03 0.00 -3.07 0.00 0.00 36.82 34.32 3n4v h ILE 150 CO -0.24 0.36 0.43 0.78 -0.69 0.00 0.00 178.15 178.79 3n4v h ASN 151 N 1.13 0.84 0.80 1.72 2.35 -0.77 0.33 115.58 121.98 3n4v h ASN 151 Ca 0.25 -0.06 -0.19 0.00 -0.55 0.00 0.00 56.30 55.75 3n4v h ASN 151 Cb 0.30 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 3n4v h ASN 151 CO -0.01 0.65 -0.88 -0.08 -1.65 0.00 0.00 177.43 175.47 3n4v h GLU 152 N 0.96 0.05 0.22 0.81 4.81 -0.70 -2.76 114.58 117.96 3n4v h GLU 152 Ca 0.25 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 3n4v h GLU 152 Cb -0.04 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.36 3n4v h GLU 152 CO -0.05 0.89 -0.10 -0.44 -0.73 0.00 0.00 179.01 178.58 3n4v h ASP 153 N 0.02 -0.25 -0.79 1.04 5.19 -0.94 -1.98 116.42 118.72 3n4v h ASP 153 Ca -0.02 -0.06 0.23 0.00 -0.62 0.00 0.00 57.03 56.56 3n4v h ASP 153 Cb 1.54 0.06 -0.03 0.00 0.18 0.00 0.00 39.33 41.08 3n4v h ASP 153 CO 0.12 -0.09 0.67 -1.13 -3.12 0.00 0.00 179.24 175.69 3n4v h ASN 154 N -0.39 0.00 0.11 6.45 -0.00 -0.83 0.21 115.58 121.13 3n4v h ASN 154 Ca -0.03 0.00 -0.21 0.00 -0.00 0.00 0.00 56.30 56.06 3n4v h ASN 154 Cb 0.30 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 38.62 3n4v h ASN 154 CO 0.05 0.00 -1.00 0.11 -0.00 0.00 0.00 177.43 176.59 3n4v h LYS 155 N 0.00 0.24 -0.46 6.67 1.57 -1.23 -2.84 116.57 120.52 3n4v h LYS 155 Ca 0.38 -0.40 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 3n4v h LYS 155 Cb 1.71 0.15 -0.03 0.00 0.08 0.00 0.00 32.23 34.14 3n4v h LYS 155 CO -0.00 1.19 0.27 0.87 -0.57 0.00 0.00 179.45 181.21 3n4v h LYS 156 N -0.43 0.53 -0.10 3.15 1.57 -0.26 -2.38 116.57 118.64 3n4v h LYS 156 Ca -0.20 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.41 3n4v h LYS 156 Cb 1.62 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.80 3n4v h LYS 156 CO 0.08 0.35 -0.55 -0.84 -0.57 0.00 0.00 179.45 177.93 3n4v h ILE 157 N 0.54 1.36 -0.96 1.86 3.07 -1.22 -0.93 117.51 121.22 3n4v h ILE 157 Ca 0.18 -1.84 0.00 0.00 1.55 0.00 0.00 64.86 64.76 3n4v h ILE 157 Cb 0.02 1.89 -0.05 0.00 -0.27 0.00 0.00 36.82 38.41 3n4v h ILE 157 CO -0.09 0.55 0.61 0.11 -1.05 0.00 0.00 178.15 178.28 3n4v h LYS 158 N 0.22 1.29 -0.56 0.16 1.57 -1.32 0.74 116.57 118.66 3n4v h LYS 158 Ca 0.00 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.58 3n4v h LYS 158 Cb 1.03 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 33.04 3n4v h LYS 158 CO 0.09 0.88 -0.05 -0.22 -0.57 0.00 0.00 179.45 179.57 3n4v h LYS 159 N 1.32 1.03 -0.03 3.15 1.63 -1.06 -2.85 116.57 119.76 3n4v h LYS 159 Ca 0.35 -0.36 -0.02 0.00 -0.85 0.00 0.00 60.65 59.77 3n4v h LYS 159 Cb -0.10 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.45 3n4v h LYS 159 CO -0.07 1.05 -0.06 -0.07 -3.45 0.00 0.00 179.45 176.84 3n4v h LEU 160 N 0.92 0.10 0.00 5.20 -0.00 -0.78 -3.29 115.31 117.46 3n4v h LEU 160 Ca 0.15 -0.59 0.00 0.00 -0.00 0.00 0.00 57.88 57.44 3n4v h LEU 160 Cb 0.62 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.25 3n4v h LEU 160 CO 0.04 0.68 0.00 0.18 -0.00 0.00 0.00 178.44 179.33 3n4v n LEU 161 N -4.72 0.00 0.29 1.67 4.77 0.22 -2.92 117.00 116.31 3n4v n LEU 161 Ca -0.08 0.26 0.17 0.00 -0.03 0.00 0.00 56.01 56.33 3n4v n LEU 161 Cb 0.34 -0.26 0.85 0.00 -2.33 0.00 0.00 43.42 42.01 3n4v n LEU 161 CO 0.35 -0.01 1.04 0.77 -1.33 0.00 0.00 177.39 178.21 3n4v h SER 162 N 0.00 0.00 -0.68 -1.43 4.64 -1.57 -1.13 113.55 113.38 3n4v h SER 162 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3n4v h SER 162 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3n4v h SER 162 CO 0.00 0.05 0.00 0.54 -0.87 0.00 0.00 176.83 176.55 3n4v n ARG 163 N -3.28 2.93 0.00 4.77 1.74 -1.15 -4.62 116.66 117.06 3n4v n ARG 163 Ca -0.01 -2.65 0.00 0.00 -0.77 0.00 0.00 57.85 54.42 3n4v n ARG 163 Cb 0.22 -1.60 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 3n4v n ARG 163 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3n4v n GLU 164 N 1.43 3.64 -4.24 5.56 -0.58 -0.61 -5.09 120.64 120.74 3n4v n GLU 164 Ca 0.23 0.00 -0.17 0.00 -0.42 0.00 0.00 57.16 56.81 3n4v n GLU 164 Cb 0.65 -0.59 -0.14 0.00 -0.57 0.00 0.00 31.44 30.79 3n4v n GLU 164 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3n4v s LEU 165 N -0.86 2.08 0.63 -4.62 1.02 -0.53 -5.08 118.68 111.33 3n4v s LEU 165 Ca 0.00 -0.26 -0.07 0.00 0.02 0.00 0.00 54.13 53.83 3n4v s LEU 165 Cb 0.00 -0.36 0.02 0.00 0.02 0.00 0.00 46.19 45.87 3n4v s LEU 165 CO 0.00 0.02 0.95 -0.54 0.02 0.00 0.00 176.35 176.80 3n4v s LYS 166 N -0.58 2.73 0.22 1.70 -0.14 -1.26 -4.79 119.74 117.62 3n4v s LYS 166 Ca 0.00 -0.02 -0.16 0.00 -1.36 0.00 0.00 55.97 54.43 3n4v s LYS 166 Cb -0.05 -2.22 0.23 0.00 -1.68 0.00 0.00 37.83 34.11 3n4v s LYS 166 CO 0.00 -0.87 1.59 0.78 -0.76 0.00 0.00 175.35 176.09 3n4v h GLY 167 N -0.33 0.21 0.68 -3.33 0.00 -1.99 -1.59 103.07 96.73 3n4v h GLY 167 Ca -0.45 0.37 0.06 0.00 0.00 0.00 0.00 47.33 47.31 3n4v h GLY 167 CO 0.61 -0.25 0.33 -2.55 0.00 0.00 0.00 176.54 174.69 3n4v h PRO 168 N -0.07 0.61 0.00 4.80 0.11 -2.01 -1.42 132.00 134.02 3n4v h PRO 168 Ca 0.31 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.39 3n4v h PRO 168 Cb 0.57 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.54 3n4v h PRO 168 CO -0.78 0.40 0.00 1.96 -0.21 0.00 0.00 178.00 179.37 3n4v h GLN 169 N 0.62 0.00 0.00 1.05 7.50 -1.79 -3.22 115.11 119.27 3n4v h GLN 169 Ca 0.28 0.00 -0.15 0.00 0.50 0.00 0.00 58.65 59.28 3n4v h GLN 169 Cb 0.18 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.68 3n4v h GLN 169 CO -0.18 0.00 -1.22 1.98 -1.50 0.00 0.00 178.83 177.91 3n4v h MET 170 N 0.00 0.00 -0.20 1.46 4.05 -0.35 -3.24 114.93 116.65 3n4v h MET 170 Ca 0.00 0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.31 3n4v h MET 170 Cb 0.74 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.53 3n4v h MET 170 CO 0.00 0.31 -0.34 -0.22 0.23 0.00 0.00 176.91 176.89 3n4v h LYS 171 N 0.00 0.42 -0.76 0.39 3.64 -1.31 -1.25 116.57 117.70 3n4v h LYS 171 Ca -0.12 -0.18 0.06 0.00 -1.27 0.00 0.00 60.65 59.13 3n4v h LYS 171 Cb 1.51 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 33.27 3n4v h LYS 171 CO 0.05 0.71 0.50 0.00 -2.27 0.00 0.00 179.45 178.44 3n4v h ALA 172 N 1.28 1.63 0.02 5.00 0.00 -1.64 0.61 119.26 126.17 3n4v h ALA 172 Ca 0.04 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3n4v h ALA 172 Cb 0.77 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3n4v h ALA 172 CO 0.06 0.26 -0.27 -0.24 0.00 0.00 0.00 179.25 179.05 3n4v h VAL 173 N 0.84 1.65 -0.90 0.00 3.04 -1.65 -2.68 116.25 116.56 3n4v h VAL 173 Ca 0.32 -2.36 0.24 0.00 -1.01 0.00 0.00 66.70 63.89 3n4v h VAL 173 Cb 0.20 3.24 -0.14 0.00 -2.01 0.00 0.00 31.29 32.58 3n4v h VAL 173 CO -0.11 0.60 0.32 0.44 -1.01 0.00 0.00 177.57 177.81 3n4v h ASP 174 N -0.90 0.16 -0.26 3.17 3.45 -0.94 0.97 116.42 122.08 3n4v h ASP 174 Ca -0.06 0.18 -0.05 0.00 0.43 0.00 0.00 57.03 57.53 3n4v h ASP 174 Cb 1.14 0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 40.10 3n4v h ASP 174 CO 0.00 -0.11 0.02 0.44 -1.57 0.00 0.00 179.24 178.02 3n4v h ASP 175 N 0.28 0.52 0.07 6.45 3.45 0.15 -2.43 116.42 124.90 3n4v h ASP 175 Ca 0.58 -0.09 -0.23 0.00 0.43 0.00 0.00 57.03 57.71 3n4v h ASP 175 Cb 1.17 -0.13 0.01 0.00 -0.56 0.00 0.00 39.33 39.82 3n4v h ASP 175 CO -0.61 0.57 -0.91 0.15 -1.57 0.00 0.00 179.24 176.87 3n4v h PHE 176 N 0.53 0.89 -0.13 4.55 3.57 0.12 -1.57 116.94 124.91 3n4v h PHE 176 Ca 0.12 -0.45 -0.09 0.00 3.53 0.00 0.00 57.97 61.08 3n4v h PHE 176 Cb 0.31 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 3n4v h PHE 176 CO 0.01 1.27 -0.34 1.88 -2.23 0.00 0.00 178.31 178.90 3n4v h TYR 177 N 0.38 0.29 -0.17 0.41 -1.99 -0.90 -2.39 116.97 112.61 3n4v h TYR 177 Ca -0.08 -0.07 -0.06 0.00 2.00 0.00 0.00 58.73 60.52 3n4v h TYR 177 Cb 1.54 -0.07 -0.00 0.00 2.00 0.00 0.00 36.73 40.20 3n4v h TYR 177 CO 0.08 0.57 -0.12 -0.09 -0.00 0.00 0.00 178.16 178.60 3n4v h ARG 178 N 0.22 0.38 -0.81 4.88 2.43 -1.30 -1.84 114.38 118.34 3n4v h ARG 178 Ca 0.03 -0.18 0.07 0.00 -0.81 0.00 0.00 59.98 59.09 3n4v h ARG 178 Cb 0.71 -0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.19 3n4v h ARG 178 CO 0.05 0.72 0.48 -0.44 -1.51 0.00 0.00 179.97 179.27 3n4v h ASP 179 N 0.04 0.72 0.34 -3.80 3.45 -1.22 -2.13 116.42 113.82 3n4v h ASP 179 Ca 0.03 0.03 -0.02 0.00 0.43 0.00 0.00 57.03 57.51 3n4v h ASP 179 Cb 0.63 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 39.28 3n4v h ASP 179 CO 0.03 0.45 -0.17 0.40 -1.57 0.00 0.00 179.24 178.38 3n4v h ILE 180 N 0.85 0.67 0.00 0.35 2.04 -1.29 -2.91 117.51 117.22 3n4v h ILE 180 Ca 0.37 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 66.15 3n4v h ILE 180 Cb 0.24 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 3n4v h ILE 180 CO -0.20 0.02 0.00 -0.07 0.00 0.00 0.00 178.15 177.90 3n4v h LEU 181 N -0.50 0.00 -0.43 1.44 3.38 -0.95 -1.48 115.31 116.77 3n4v h LEU 181 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3n4v h LEU 181 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3n4v h LEU 181 CO 0.08 0.00 -0.46 -0.62 0.09 0.00 0.00 178.44 177.52 3n4v n GLU 182 N -2.98 0.62 -3.43 1.13 1.02 -0.84 -4.78 120.64 111.39 3n4v n GLU 182 Ca -0.01 -0.43 -0.44 0.00 -0.02 0.00 0.00 57.16 56.27 3n4v n GLU 182 Cb 0.20 -1.49 -0.08 0.00 -0.02 0.00 0.00 31.44 30.04 3n4v n GLU 182 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3n4v s ASN 183 N -2.68 6.05 0.53 1.62 2.47 -0.56 -4.95 114.94 117.43 3n4v s ASN 183 Ca 0.18 -1.34 0.29 0.00 0.42 0.00 0.00 52.86 52.41 3n4v s ASN 183 Cb 0.18 -2.15 1.48 0.00 -1.45 0.00 0.00 41.25 39.31 3n4v s ASN 183 CO 0.62 -0.62 2.07 -0.33 -3.72 0.00 0.00 177.10 175.12 3n4v h GLU 184 N 8.68 0.00 -0.60 0.43 4.39 -1.86 -2.99 114.58 122.64 3n4v h GLU 184 Ca -0.27 0.00 0.17 0.00 0.34 0.00 0.00 59.36 59.60 3n4v h GLU 184 Cb 1.11 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.73 3n4v h GLU 184 CO 0.85 0.11 0.55 0.97 -1.16 0.00 0.00 179.01 180.33 3n4v h ILE 185 N 0.00 0.42 0.00 3.13 2.10 -1.92 0.48 117.51 121.72 3n4v h ILE 185 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3n4v h ILE 185 Cb 0.35 0.58 0.00 0.00 -1.09 0.00 0.00 36.82 36.66 3n4v h ILE 185 CO 0.01 0.00 -0.09 1.88 -1.08 0.00 0.00 178.15 178.87 3n4v h TYR 186 N 0.00 0.00 0.00 2.19 0.05 -1.87 -3.38 116.97 113.95 3n4v h TYR 186 Ca 0.29 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.06 3n4v h TYR 186 Cb 1.39 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.13 3n4v h TYR 186 CO 0.00 0.00 -1.04 1.19 -1.05 0.00 0.00 178.16 177.26 3n4v n PHE 187 N -2.80 0.00 -3.29 4.88 3.01 0.14 -4.85 117.46 114.55 3n4v n PHE 187 Ca 0.04 0.00 -0.46 0.00 1.01 0.00 0.00 57.45 58.04 3n4v n PHE 187 Cb 0.50 -0.02 -0.02 0.00 -0.01 0.00 0.00 39.48 39.93 3n4v n PHE 187 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 3n4v s LYS 188 N -2.05 3.75 0.09 -1.08 2.20 0.56 -4.97 119.74 118.24 3n4v s LYS 188 Ca -0.00 -2.57 -0.05 0.00 -0.36 0.00 0.00 55.97 52.99 3n4v s LYS 188 Cb 0.00 -4.52 -0.02 0.00 -1.51 0.00 0.00 37.83 31.78 3n4v s LYS 188 CO 0.04 -1.34 0.10 1.52 -0.36 0.00 0.00 175.35 175.31 3n4v s TYR 189 N 0.12 0.44 -0.57 4.03 -0.85 -1.26 -4.84 117.35 114.42 3n4v s TYR 189 Ca 0.23 -0.90 -0.22 0.00 -0.52 0.00 0.00 57.07 55.66 3n4v s TYR 189 Cb -0.09 -0.25 0.05 0.00 0.38 0.00 0.00 41.96 42.05 3n4v s TYR 189 CO -0.09 -0.50 0.86 0.71 -1.52 0.00 0.00 175.55 175.01 3n4v s TYR 190 N -3.93 2.83 0.56 -3.49 2.02 -1.26 -5.01 117.35 109.07 3n4v s TYR 190 Ca 0.11 -0.31 -0.21 0.00 -0.37 0.00 0.00 57.07 56.29 3n4v s TYR 190 Cb 0.06 -4.00 -0.04 0.00 -0.40 0.00 0.00 41.96 37.58 3n4v s TYR 190 CO -0.07 -1.35 1.28 -2.14 -1.57 0.00 0.00 175.55 171.70 3n4v s PRO 191 N 3.61 3.11 0.22 -1.71 0.02 -1.26 -4.64 135.00 134.35 3n4v s PRO 191 Ca 0.24 2.03 -0.23 0.00 0.02 0.00 0.00 61.00 63.06 3n4v s PRO 191 Cb -0.16 -2.13 0.04 0.00 0.02 0.00 0.00 34.50 32.27 3n4v s PRO 191 CO 0.15 -1.15 0.79 0.00 -0.33 0.00 0.00 177.00 176.45 3n4v s LEU 193 N -2.90 4.37 0.08 0.00 2.96 -1.26 -0.86 118.68 121.06 3n4v s LEU 193 Ca 0.10 2.38 0.06 0.00 -0.22 0.00 0.00 54.13 56.45 3n4v s LEU 193 Cb -0.04 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.03 3n4v s LEU 193 CO 0.04 -0.71 -0.16 0.27 -1.32 0.00 0.00 176.35 174.47 3n4v s ILE 194 N 1.30 1.25 0.13 6.68 -4.36 0.70 -4.21 121.20 122.67 3n4v s ILE 194 Ca 0.66 -1.33 -0.16 0.00 -0.26 0.00 0.00 60.65 59.56 3n4v s ILE 194 Cb -0.38 -1.17 -0.02 0.00 1.25 0.00 0.00 42.46 42.14 3n4v s ILE 194 CO 0.30 -0.17 1.66 -0.74 0.24 0.00 0.00 174.94 176.23 3n4v h HIS 195 N 4.30 0.59 0.00 1.37 -0.00 -1.94 -1.87 115.15 117.60 3n4v h HIS 195 Ca -0.42 -0.05 0.00 0.00 -0.00 0.00 0.00 60.37 59.90 3n4v h HIS 195 Cb 1.19 -0.17 0.00 0.00 -0.00 0.00 0.00 27.41 28.43 3n4v h HIS 195 CO 0.62 0.55 0.00 -1.71 -0.00 0.00 0.00 177.93 177.39 3n4v n ASN 196 N -4.65 -1.30 -2.75 3.26 5.15 -1.26 -2.11 115.26 111.61 3n4v n ASN 196 Ca -0.01 0.00 -0.03 0.00 -0.60 0.00 0.00 54.58 53.94 3n4v n ASN 196 Cb 0.16 -1.25 0.07 0.00 -0.53 0.00 0.00 39.78 38.22 3n4v n ASN 196 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 3n4v n ASP 197 N -0.13 0.62 -4.47 1.20 4.64 -1.26 -4.84 116.55 112.31 3n4v n ASP 197 Ca 0.00 -2.28 -0.43 0.00 -1.38 0.00 0.00 54.79 50.70 3n4v n ASP 197 Cb 0.06 -0.12 -0.03 0.00 -1.04 0.00 0.00 41.12 39.99 3n4v n ASP 197 CO 0.00 0.00 0.00 0.12 -0.82 0.00 0.00 177.20 176.50 3n4v s PHE 198 N -2.50 2.93 0.25 -0.67 5.36 -1.26 -4.85 117.98 117.24 3n4v s PHE 198 Ca 0.23 -1.13 -0.06 0.00 -0.96 0.00 0.00 56.93 55.01 3n4v s PHE 198 Cb 0.39 -4.36 -0.02 0.00 -0.34 0.00 0.00 43.02 38.70 3n4v s PHE 198 CO -0.04 -1.60 0.34 -1.54 -1.46 0.00 0.00 175.22 170.92 3n4v s SER 199 N 3.86 0.23 0.31 6.13 1.04 -1.26 -3.99 113.70 120.02 3n4v s SER 199 Ca 0.33 -1.23 0.07 0.00 0.48 0.00 0.00 55.95 55.60 3n4v s SER 199 Cb -0.06 0.52 0.87 0.00 0.10 0.00 0.00 66.02 67.44 3n4v s SER 199 CO -0.06 -1.05 1.67 0.77 0.98 0.00 0.00 173.24 175.55 3n4v h SER 200 N 2.37 0.29 0.22 7.02 4.64 -1.90 0.22 113.55 126.41 3n4v h SER 200 Ca -0.30 0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 3n4v h SER 200 Cb 1.25 0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 3n4v h SER 200 CO 0.43 -0.10 0.00 0.47 -0.87 0.00 0.00 176.83 176.75 3n4v n ASP 201 N -5.11 0.00 -0.12 4.97 9.92 -1.26 -2.34 116.55 122.60 3n4v n ASP 201 Ca 0.26 -0.27 0.01 0.00 -0.53 0.00 0.00 54.79 54.26 3n4v n ASP 201 Cb 0.79 -0.17 0.02 0.00 -0.64 0.00 0.00 41.12 41.13 3n4v n ASP 201 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 3n4v n HIS 202 N -1.17 0.04 -3.70 1.24 8.25 0.76 -4.88 115.22 115.77 3n4v n HIS 202 Ca 0.12 -0.21 -0.39 0.00 -0.26 0.00 0.00 57.72 56.99 3n4v n HIS 202 Cb 0.12 -0.02 -0.12 0.00 1.12 0.00 0.00 29.99 31.10 3n4v n HIS 202 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3n4v s ILE 203 N -0.54 4.05 0.18 1.59 1.01 -0.99 -1.24 121.20 125.27 3n4v s ILE 203 Ca 0.04 -1.01 -0.15 0.00 0.00 0.00 0.00 60.65 59.53 3n4v s ILE 203 Cb 0.02 -3.27 -0.07 0.00 0.01 0.00 0.00 42.46 39.15 3n4v s ILE 203 CO 0.03 -0.18 0.61 -0.76 0.00 0.00 0.00 174.94 174.64 3n4v s LEU 204 N 1.46 4.31 0.03 2.97 1.43 -0.69 0.07 118.68 128.26 3n4v s LEU 204 Ca -0.00 1.17 0.03 0.00 -1.03 0.00 0.00 54.13 54.31 3n4v s LEU 204 Cb -0.19 -3.43 -0.02 0.00 0.03 0.00 0.00 46.19 42.58 3n4v s LEU 204 CO 0.04 0.05 -0.11 0.12 0.23 0.00 0.00 176.35 176.69 3n4v s PHE 205 N -1.53 0.93 -0.38 0.29 5.36 0.39 -1.39 117.98 121.65 3n4v s PHE 205 Ca 0.41 -0.34 -0.02 0.00 -0.96 0.00 0.00 56.93 56.02 3n4v s PHE 205 Cb -0.15 -0.56 0.09 0.00 -0.34 0.00 0.00 43.02 42.07 3n4v s PHE 205 CO 0.20 -0.01 0.14 0.34 -1.46 0.00 0.00 175.22 174.43 3n4v s ASP 206 N -1.03 5.14 0.35 6.13 -1.08 -0.38 -1.71 116.67 124.08 3n4v s ASP 206 Ca -0.01 -1.86 0.17 0.00 -0.52 0.00 0.00 52.55 50.32 3n4v s ASP 206 Cb -0.07 -1.79 0.58 0.00 -1.46 0.00 0.00 42.92 40.18 3n4v s ASP 206 CO 0.01 -0.46 1.69 0.71 0.52 0.00 0.00 175.17 177.64 3n4v h THR 207 N 6.40 1.03 -0.30 1.71 1.35 -1.96 0.73 112.91 121.87 3n4v h THR 207 Ca -0.14 -1.69 -0.01 0.00 -0.55 0.00 0.00 66.41 64.02 3n4v h THR 207 Cb 1.05 2.00 -0.01 0.00 -1.73 0.00 0.00 68.15 69.45 3n4v h THR 207 CO 0.64 0.43 0.15 -0.08 -0.25 0.00 0.00 175.52 176.41 3n4v h GLU 208 N 0.00 0.44 0.00 4.72 4.57 -1.97 -3.12 114.58 119.22 3n4v h GLU 208 Ca -0.00 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 3n4v h GLU 208 Cb 0.96 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.47 3n4v h GLU 208 CO 0.06 0.41 -0.51 0.87 -1.18 0.00 0.00 179.01 178.66 3n4v h LYS 209 N 0.36 0.00 -6.07 1.92 1.57 -1.86 -3.48 116.57 109.01 3n4v h LYS 209 Ca 0.10 0.00 -0.43 0.00 -1.87 0.00 0.00 60.65 58.45 3n4v h LYS 209 Cb 0.12 0.00 0.05 0.00 0.08 0.00 0.00 32.23 32.48 3n4v h LYS 209 CO -0.01 0.00 -0.75 0.09 -0.57 0.00 0.00 179.45 178.21 3n4v n ASN 210 N -2.52 -4.45 -3.91 0.86 4.13 0.25 -5.03 115.26 104.59 3n4v n ASN 210 Ca 0.03 -0.70 -0.10 0.00 1.68 0.00 0.00 54.58 55.49 3n4v n ASN 210 Cb 0.49 -4.39 -0.11 0.00 -1.54 0.00 0.00 39.78 34.24 3n4v n ASN 210 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 3n4v s THR 211 N -3.37 0.08 0.37 3.41 -4.23 -1.05 -4.95 115.64 105.90 3n4v s THR 211 Ca 0.47 -0.69 -0.28 0.00 -1.18 0.00 0.00 61.69 60.01 3n4v s THR 211 Cb -0.22 -0.33 -0.11 0.00 1.34 0.00 0.00 72.50 73.17 3n4v s THR 211 CO 0.79 -0.38 1.45 -0.38 -0.54 0.00 0.00 174.62 175.56 3n4v n ILE 212 N 1.69 1.97 -1.04 2.99 5.41 -1.26 -1.25 119.36 127.88 3n4v n ILE 212 Ca -0.22 -0.49 0.00 0.00 1.00 0.00 0.00 62.75 63.04 3n4v n ILE 212 Cb 0.56 -1.90 0.00 0.00 -0.71 0.00 0.00 39.64 37.59 3n4v n ILE 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3n4v s GLY 214 N -0.00 -0.23 -0.02 0.00 0.00 -1.19 -4.43 107.32 101.45 3n4v s GLY 214 Ca 0.00 1.83 0.01 0.00 0.00 0.00 0.00 44.72 46.56 3n4v s GLY 214 CO 0.00 0.65 -0.02 -0.42 0.00 0.00 0.00 173.10 173.31 3n4v s ILE 215 N -2.11 0.25 0.34 0.90 -1.09 -0.74 -1.70 121.20 117.05 3n4v s ILE 215 Ca 0.09 -0.02 0.03 0.00 -2.23 0.00 0.00 60.65 58.53 3n4v s ILE 215 Cb -0.01 -0.29 -0.04 0.00 -1.58 0.00 0.00 42.46 40.54 3n4v s ILE 215 CO -0.04 0.13 0.13 0.27 -1.23 0.00 0.00 174.94 174.20 3n4v s ILE 216 N 0.64 0.55 -0.35 2.92 -4.36 -0.37 -4.00 121.20 116.23 3n4v s ILE 216 Ca -0.07 -2.00 -0.12 0.00 -0.26 0.00 0.00 60.65 58.20 3n4v s ILE 216 Cb -0.10 -2.51 0.01 0.00 1.25 0.00 0.00 42.46 41.11 3n4v s ILE 216 CO -0.01 0.00 0.44 0.47 0.24 0.00 0.00 174.94 176.08 3n4v n ASP 217 N -0.99 -7.06 -1.58 4.36 8.00 -1.26 -4.85 116.55 113.17 3n4v n ASP 217 Ca -0.02 0.55 0.09 0.00 0.71 0.00 0.00 54.79 56.13 3n4v n ASP 217 Cb 0.65 -4.72 0.36 0.00 -0.02 0.00 0.00 41.12 37.39 3n4v n ASP 217 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3n4v n PHE 218 N -0.22 1.49 0.21 1.24 3.72 -1.26 -4.62 117.46 118.02 3n4v n PHE 218 Ca 0.09 -0.62 0.14 0.00 -0.05 0.00 0.00 57.45 57.01 3n4v n PHE 218 Cb 0.34 -0.25 0.76 0.00 -0.94 0.00 0.00 39.48 39.40 3n4v n PHE 218 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3n4v h GLY 219 N 4.05 0.00 0.53 1.37 0.00 -1.89 -0.84 103.07 106.29 3n4v h GLY 219 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3n4v h GLY 219 CO 0.24 0.00 -0.92 1.22 0.00 0.00 0.00 176.54 177.08 3n4v n ASP 220 N -4.15 0.66 -4.60 0.19 8.00 -1.26 -4.65 116.55 110.74 3n4v n ASP 220 Ca 0.00 -0.41 -0.39 0.00 0.71 0.00 0.00 54.79 54.71 3n4v n ASP 220 Cb 0.24 0.74 0.04 0.00 -0.02 0.00 0.00 41.12 42.12 3n4v n ASP 220 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3n4v n ALA 221 N -1.68 0.12 -3.65 2.24 0.00 -0.32 -4.73 120.51 112.49 3n4v n ALA 221 Ca 0.03 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3n4v n ALA 221 Cb 0.39 -2.08 -0.01 0.00 0.00 0.00 0.00 19.45 17.75 3n4v n ALA 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3n4v s ALA 222 N -1.45 -2.10 -0.44 0.00 0.00 -0.70 -4.98 121.76 112.09 3n4v s ALA 222 Ca 0.70 0.61 -0.24 0.00 0.00 0.00 0.00 51.96 53.03 3n4v s ALA 222 Cb -0.47 0.40 0.02 0.00 0.00 0.00 0.00 23.12 23.08 3n4v s ALA 222 CO 0.51 -1.03 0.86 0.42 0.00 0.00 0.00 175.76 176.52 3n4v s ILE 223 N -2.62 4.57 0.00 0.00 1.01 -0.33 -0.22 121.20 123.61 3n4v s ILE 223 Ca 0.13 0.70 0.00 0.00 0.00 0.00 0.00 60.65 61.48 3n4v s ILE 223 Cb 0.03 -4.36 0.00 0.00 0.01 0.00 0.00 42.46 38.14 3n4v s ILE 223 CO -0.03 -0.73 0.00 -0.24 0.00 0.00 0.00 174.94 173.95 3n4v n SER 224 N 6.91 0.00 -4.65 3.58 2.88 -0.04 -1.49 113.62 120.80 3n4v n SER 224 Ca 0.05 -0.31 -0.43 0.00 -1.33 0.00 0.00 58.87 56.84 3n4v n SER 224 Cb 0.48 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.92 3n4v n SER 224 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3n4v s ASP 225 N 0.97 6.96 0.45 -3.46 3.68 -1.26 -1.62 116.67 122.38 3n4v s ASP 225 Ca 0.00 1.31 0.21 0.00 2.13 0.00 0.00 52.55 56.19 3n4v s ASP 225 Cb 0.00 -2.54 1.18 0.00 -1.45 0.00 0.00 42.92 40.11 3n4v s ASP 225 CO 0.00 -0.81 1.88 1.55 0.13 0.00 0.00 175.17 177.92 3n4v h PRO 226 N 8.05 0.29 -0.07 4.34 0.13 -1.85 -1.29 132.00 141.60 3n4v h PRO 226 Ca -0.22 -0.02 0.02 0.00 -0.87 0.00 0.00 66.00 64.91 3n4v h PRO 226 Cb 1.07 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.14 3n4v h PRO 226 CO 1.00 0.19 0.08 -0.44 -0.23 0.00 0.00 178.00 178.61 3n4v h ASP 227 N 0.30 0.00 -0.46 1.44 3.32 -1.97 -1.90 116.42 117.15 3n4v h ASP 227 Ca 0.43 0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.54 3n4v h ASP 227 Cb 1.22 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.74 3n4v h ASP 227 CO -0.12 0.00 0.31 0.78 -1.72 0.00 0.00 179.24 178.49 3n4v h ASN 228 N 0.00 0.33 1.08 6.45 2.35 -1.64 -2.05 115.58 122.10 3n4v h ASN 228 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3n4v h ASN 228 Cb 0.20 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.50 3n4v h ASN 228 CO -0.00 0.21 0.00 0.44 -1.65 0.00 0.00 177.43 176.43 3n4v h ASP 229 N 0.37 0.00 0.18 5.81 3.45 -1.53 -2.52 116.42 122.18 3n4v h ASP 229 Ca 0.20 0.00 -0.35 0.00 0.43 0.00 0.00 57.03 57.31 3n4v h ASP 229 Cb 0.33 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 39.06 3n4v h ASP 229 CO -0.05 0.00 -2.07 0.49 -1.57 0.00 0.00 179.24 176.04 3n4v n PHE 230 N -3.05 0.78 -0.17 4.55 3.01 -0.83 -4.18 117.46 117.57 3n4v n PHE 230 Ca 0.01 0.20 0.11 0.00 1.01 0.00 0.00 57.45 58.79 3n4v n PHE 230 Cb 0.32 -1.12 0.44 0.00 -0.01 0.00 0.00 39.48 39.11 3n4v n PHE 230 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 3n4v h ILE 231 N 0.03 0.89 0.00 4.37 2.04 -1.35 -2.26 117.51 121.23 3n4v h ILE 231 Ca -0.44 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 3n4v h ILE 231 Cb 2.03 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 38.40 3n4v h ILE 231 CO 0.04 0.10 -0.03 0.28 0.00 0.00 0.00 178.15 178.54 3n4v h SER 232 N 0.55 0.00 -0.01 1.72 0.02 -1.61 -2.90 113.55 111.31 3n4v h SER 232 Ca 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 3n4v h SER 232 Cb 0.59 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.13 3n4v h SER 232 CO -0.12 0.03 -0.39 0.18 -1.14 0.00 0.00 176.83 175.39 3n4v n LEU 233 N -3.38 1.46 0.12 5.07 4.77 -0.85 -4.66 117.00 119.52 3n4v n LEU 233 Ca -0.02 -0.72 0.12 0.00 -0.03 0.00 0.00 56.01 55.35 3n4v n LEU 233 Cb 0.15 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.30 3n4v n LEU 233 CO 0.25 0.29 0.22 0.24 -1.33 0.00 0.00 177.39 177.06 3n4v h MET 234 N 1.47 0.00 -6.05 3.23 2.86 -1.47 -2.41 114.93 112.57 3n4v h MET 234 Ca 0.00 0.00 -0.68 0.00 -2.06 0.00 0.00 59.70 56.96 3n4v h MET 234 Cb 0.51 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 3n4v h MET 234 CO 0.00 0.00 1.28 -1.91 1.06 0.00 0.00 176.91 177.34 3n4v n GLU 235 N -2.66 1.15 -2.32 1.72 0.00 -1.26 -3.95 120.64 113.32 3n4v n GLU 235 Ca 0.01 0.35 -0.39 0.00 0.00 0.00 0.00 57.16 57.13 3n4v n GLU 235 Cb 0.53 -2.36 -0.03 0.00 0.00 0.00 0.00 31.44 29.58 3n4v n GLU 235 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3n4v s ASP 236 N 6.19 6.83 -0.85 4.31 1.01 -1.26 -1.11 116.67 131.79 3n4v s ASP 236 Ca 1.06 2.38 -0.04 0.00 0.71 0.00 0.00 52.55 56.67 3n4v s ASP 236 Cb -0.91 -2.62 -0.01 0.00 1.01 0.00 0.00 42.92 40.38 3n4v s ASP 236 CO 0.53 -0.46 0.73 0.47 0.21 0.00 0.00 175.17 176.65 3n4v n ASP 237 N 0.59 -6.84 0.00 0.27 9.92 -1.26 -4.61 116.55 114.62 3n4v n ASP 237 Ca 0.02 -0.43 0.00 0.00 -0.53 0.00 0.00 54.79 53.84 3n4v n ASP 237 Cb 0.45 -4.46 0.00 0.00 -0.64 0.00 0.00 41.12 36.47 3n4v n ASP 237 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 3n4v n GLU 238 N -2.44 0.00 0.00 -1.24 4.07 -1.25 -5.11 120.64 114.68 3n4v n GLU 238 Ca -0.08 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.02 3n4v n GLU 238 Cb 0.56 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.94 3n4v n GLU 238 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 3n4v n GLU 239 N 0.00 2.84 -1.60 5.31 -0.58 -0.26 -4.90 120.64 121.45 3n4v n GLU 239 Ca 0.00 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.45 3n4v n GLU 239 Cb 0.00 0.00 0.11 0.00 -0.57 0.00 0.00 31.44 30.98 3n4v n GLU 239 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 3n4v s TYR 240 N 1.15 2.75 0.77 -0.32 2.02 -0.91 -4.67 117.35 118.15 3n4v s TYR 240 Ca 0.00 0.99 -0.15 0.00 -0.37 0.00 0.00 57.07 57.54 3n4v s TYR 240 Cb 0.00 -3.26 0.03 0.00 -0.40 0.00 0.00 41.96 38.33 3n4v s TYR 240 CO 0.00 -1.97 0.91 0.41 -1.57 0.00 0.00 175.55 173.33 3n4v n GLY 241 N -2.32 -0.66 0.14 0.71 0.00 -1.26 -4.14 105.19 97.66 3n4v n GLY 241 Ca 0.07 -0.44 0.12 0.00 0.00 0.00 0.00 46.02 45.77 3n4v n GLY 241 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3n4v h MET 242 N -0.63 0.00 0.02 1.61 4.05 -1.89 -2.92 114.93 115.17 3n4v h MET 242 Ca -0.46 0.00 -0.34 0.00 -0.28 0.00 0.00 59.70 58.62 3n4v h MET 242 Cb 1.32 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 32.07 3n4v h MET 242 CO 0.44 0.00 -2.03 -1.91 0.23 0.00 0.00 176.91 173.65 3n4v n GLU 243 N -2.31 0.67 0.03 0.39 2.13 -1.26 -3.67 120.64 116.62 3n4v n GLU 243 Ca 0.02 0.19 -0.13 0.00 0.66 0.00 0.00 57.16 57.91 3n4v n GLU 243 Cb 0.25 -1.68 -0.08 0.00 0.27 0.00 0.00 31.44 30.20 3n4v n GLU 243 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 3n4v h PHE 244 N 0.01 -0.03 0.00 4.31 3.04 -1.89 -3.19 116.94 119.19 3n4v h PHE 244 Ca -0.41 -0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.50 3n4v h PHE 244 Cb 2.07 0.01 -0.01 0.00 2.56 0.00 0.00 35.95 40.58 3n4v h PHE 244 CO 0.02 0.20 -0.17 -0.39 -2.02 0.00 0.00 178.31 175.94 3n4v h VAL 245 N -0.25 0.63 0.00 1.41 -1.51 -1.69 0.17 116.25 115.01 3n4v h VAL 245 Ca -0.00 -0.77 0.00 0.00 -1.23 0.00 0.00 66.70 64.70 3n4v h VAL 245 Cb 0.24 1.49 0.00 0.00 -2.13 0.00 0.00 31.29 30.89 3n4v h VAL 245 CO 0.01 0.17 0.00 0.77 -1.23 0.00 0.00 177.57 177.29 3n4v h SER 246 N 0.00 0.00 0.15 4.19 4.64 -1.62 0.43 113.55 121.34 3n4v h SER 246 Ca -0.00 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.06 3n4v h SER 246 Cb 0.48 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.59 3n4v h SER 246 CO 0.02 0.00 -1.02 0.11 -0.87 0.00 0.00 176.83 175.07 3n4v h LYS 247 N 0.00 0.58 -0.18 4.77 1.57 -0.67 -2.95 116.57 119.68 3n4v h LYS 247 Ca 0.00 -0.64 -0.02 0.00 -1.87 0.00 0.00 60.65 58.12 3n4v h LYS 247 Cb 0.35 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 3n4v h LYS 247 CO 0.00 1.25 0.03 0.82 -0.57 0.00 0.00 179.45 180.97 3n4v h ILE 248 N 0.32 1.23 -0.45 1.86 2.04 -0.61 -2.00 117.51 119.91 3n4v h ILE 248 Ca -0.11 -0.75 0.07 0.00 1.00 0.00 0.00 64.86 65.07 3n4v h ILE 248 Cb 1.67 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 39.09 3n4v h ILE 248 CO 0.19 0.23 0.30 -0.07 0.00 0.00 0.00 178.15 178.80 3n4v h LEU 249 N 0.09 0.26 -0.04 1.44 3.38 -0.35 -1.58 115.31 118.51 3n4v h LEU 249 Ca 0.06 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.78 3n4v h LEU 249 Cb 0.32 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.03 3n4v h LEU 249 CO 0.00 0.16 -1.08 0.78 0.09 0.00 0.00 178.44 178.40 3n4v h ASN 250 N 0.29 0.57 0.58 -0.43 -0.26 -1.29 -0.76 115.58 114.29 3n4v h ASN 250 Ca 0.20 -0.51 -0.11 0.00 -0.56 0.00 0.00 56.30 55.32 3n4v h ASN 250 Cb 0.42 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 37.49 3n4v h ASN 250 CO -0.04 1.33 -0.52 0.45 -1.06 0.00 0.00 177.43 177.59 3n4v h HIS 251 N 0.20 0.00 0.00 1.19 3.86 -1.08 -3.06 115.15 116.27 3n4v h HIS 251 Ca -0.11 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.02 3n4v h HIS 251 Cb 1.74 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 30.20 3n4v h HIS 251 CO 0.07 0.52 -0.38 -0.92 0.86 0.00 0.00 177.93 178.08 3n4v h TYR 252 N 0.00 0.00 -0.59 2.45 5.03 -1.24 -3.47 116.97 119.15 3n4v h TYR 252 Ca -0.01 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.30 3n4v h TYR 252 Cb 0.95 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.23 3n4v h TYR 252 CO 0.00 0.38 0.00 1.63 -1.32 0.00 0.00 178.16 178.85 3n4v n LYS 253 N -3.44 0.00 -2.03 1.82 4.01 -0.49 -5.01 118.16 113.02 3n4v n LYS 253 Ca 0.00 0.00 -0.41 0.00 -0.51 0.00 0.00 58.31 57.39 3n4v n LYS 253 Cb 0.55 -2.39 -0.02 0.00 -0.51 0.00 0.00 35.03 32.66 3n4v n LYS 253 CO 0.00 0.00 0.00 -1.58 -1.11 0.00 0.00 177.40 174.71 3n4v s HIS 254 N -2.59 3.05 -2.66 2.13 2.46 -0.41 -4.92 115.29 112.34 3n4v s HIS 254 Ca 0.00 1.03 0.22 0.00 0.47 0.00 0.00 55.06 56.78 3n4v s HIS 254 Cb 0.00 -3.80 0.15 0.00 -0.13 0.00 0.00 32.58 28.80 3n4v s HIS 254 CO 0.00 -2.62 1.18 1.63 -2.47 0.00 0.00 174.74 172.46 3n4v n LYS 255 N 2.45 1.98 -2.99 2.88 4.76 -1.26 -4.67 118.16 121.31 3n4v n LYS 255 Ca 0.07 -1.70 -0.14 0.00 -2.87 0.00 0.00 58.31 53.67 3n4v n LYS 255 Cb 0.40 -1.43 -0.02 0.00 -1.84 0.00 0.00 35.03 32.14 3n4v n LYS 255 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3n4v n ASP 256 N 1.06 -2.05 -0.04 4.39 2.03 -1.26 -5.00 116.55 115.68 3n4v n ASP 256 Ca 0.12 -2.82 -0.11 0.00 0.52 0.00 0.00 54.79 52.50 3n4v n ASP 256 Cb 0.54 0.82 0.03 0.00 -0.72 0.00 0.00 41.12 41.79 3n4v n ASP 256 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3n4v h ILE 257 N 4.07 1.30 -0.84 5.18 2.04 -2.01 -2.85 117.51 124.39 3n4v h ILE 257 Ca 0.07 -1.70 0.22 0.00 1.00 0.00 0.00 64.86 64.46 3n4v h ILE 257 Cb 1.01 1.63 -0.04 0.00 -0.74 0.00 0.00 36.82 38.67 3n4v h ILE 257 CO 0.24 0.54 0.58 -0.65 0.00 0.00 0.00 178.15 178.86 3n4v h PRO 258 N 0.55 0.15 -0.24 2.37 0.11 -1.99 -1.05 132.00 131.89 3n4v h PRO 258 Ca 0.02 -0.01 -0.18 0.00 0.11 0.00 0.00 66.00 65.94 3n4v h PRO 258 Cb 1.06 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 3n4v h PRO 258 CO 0.10 0.10 -0.58 1.15 -0.21 0.00 0.00 178.00 178.56 3n4v h THR 259 N 0.15 1.29 -0.34 -1.15 2.02 -1.93 -0.85 112.91 112.10 3n4v h THR 259 Ca 0.41 -1.79 0.00 0.00 0.77 0.00 0.00 66.41 65.81 3n4v h THR 259 Cb 1.40 1.72 -0.02 0.00 -1.74 0.00 0.00 68.15 69.51 3n4v h THR 259 CO -0.07 0.57 0.23 0.58 0.37 0.00 0.00 175.52 177.20 3n4v h VAL 260 N 0.58 1.09 -0.68 3.16 2.07 -1.23 0.12 116.25 121.36 3n4v h VAL 260 Ca 0.00 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 3n4v h VAL 260 Cb 1.17 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 3n4v h VAL 260 CO 0.12 0.08 0.33 -0.07 0.02 0.00 0.00 177.57 178.06 3n4v h LEU 261 N 0.46 0.86 -0.52 2.57 3.38 -1.28 0.36 115.31 121.15 3n4v h LEU 261 Ca 0.12 -0.09 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 3n4v h LEU 261 Cb -0.05 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 3n4v h LEU 261 CO -0.03 0.73 -0.19 -0.08 0.09 0.00 0.00 178.44 178.97 3n4v h GLU 262 N 0.96 1.01 -0.46 1.13 4.81 -0.68 -1.07 114.58 120.27 3n4v h GLU 262 Ca 0.24 -0.41 -0.14 0.00 -0.13 0.00 0.00 59.36 58.91 3n4v h GLU 262 Cb 0.09 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 3n4v h GLU 262 CO -0.03 1.09 -0.25 0.87 -0.73 0.00 0.00 179.01 179.96 3n4v h LYS 263 N 0.88 0.98 0.17 1.92 1.57 -0.18 -2.84 116.57 119.06 3n4v h LYS 263 Ca 0.12 -0.44 0.01 0.00 -1.87 0.00 0.00 60.65 58.47 3n4v h LYS 263 Cb 0.76 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.03 3n4v h LYS 263 CO 0.06 1.12 -0.24 -0.92 -0.57 0.00 0.00 179.45 178.90 3n4v h TYR 264 N 0.83 -0.63 -1.00 -1.35 3.20 -0.19 -1.10 116.97 116.74 3n4v h TYR 264 Ca 0.10 0.01 0.26 0.00 3.14 0.00 0.00 58.73 62.24 3n4v h TYR 264 Cb 0.84 0.25 -0.06 0.00 1.54 0.00 0.00 36.73 39.30 3n4v h TYR 264 CO 0.06 -0.34 0.68 0.00 -1.64 0.00 0.00 178.16 176.91 3n4v h ARG 265 N -0.46 0.22 0.18 1.82 3.08 -1.16 0.20 114.38 118.25 3n4v h ARG 265 Ca 0.01 -0.01 -0.27 0.00 0.07 0.00 0.00 59.98 59.78 3n4v h ARG 265 Cb 0.46 -0.05 0.02 0.00 0.08 0.00 0.00 29.97 30.49 3n4v h ARG 265 CO -0.10 0.14 -1.23 1.98 -1.07 0.00 0.00 179.97 179.69 3n4v h MET 266 N 0.22 0.38 -0.33 0.04 4.05 -1.20 -3.07 114.93 115.02 3n4v h MET 266 Ca 0.52 -0.65 -0.01 0.00 -0.28 0.00 0.00 59.70 59.27 3n4v h MET 266 Cb 1.62 0.24 -0.02 0.00 -0.80 0.00 0.00 31.60 32.64 3n4v h MET 266 CO -0.14 1.31 0.15 -0.22 0.23 0.00 0.00 176.91 178.24 3n4v h LYS 267 N -0.14 0.46 0.02 0.39 3.64 -0.35 0.13 116.57 120.71 3n4v h LYS 267 Ca -0.23 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.10 3n4v h LYS 267 Cb 1.88 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.61 3n4v h LYS 267 CO 0.18 0.36 -0.01 1.49 -2.27 0.00 0.00 179.45 179.21 3n4v h GLU 268 N 0.46 -0.03 -0.51 1.90 4.81 -1.02 -1.99 114.58 118.21 3n4v h GLU 268 Ca 0.12 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.36 3n4v h GLU 268 Cb 0.06 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 3n4v h GLU 268 CO -0.02 0.13 0.32 0.87 -0.73 0.00 0.00 179.01 179.58 3n4v h LYS 269 N -0.18 0.62 0.00 1.92 1.57 -1.37 -2.87 116.57 116.26 3n4v h LYS 269 Ca -0.00 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3n4v h LYS 269 Cb 0.17 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 3n4v h LYS 269 CO 0.00 0.41 -0.00 -0.92 -0.57 0.00 0.00 179.45 178.37 3n4v h TYR 270 N 0.64 0.00 -0.88 -1.35 3.20 -0.51 -3.12 116.97 114.95 3n4v h TYR 270 Ca 0.20 0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.18 3n4v h TYR 270 Cb -0.02 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 38.16 3n4v h TYR 270 CO -0.05 0.00 0.50 2.35 -1.64 0.00 0.00 178.16 179.32 3n4v h TRP 271 N 0.00 0.91 -0.76 -3.82 -0.00 -1.13 -1.16 115.95 109.98 3n4v h TRP 271 Ca -0.00 0.03 0.15 0.00 -0.00 0.00 0.00 58.89 59.07 3n4v h TRP 271 Cb 0.01 -0.27 -0.10 0.00 -0.00 0.00 0.00 29.16 28.80 3n4v h TRP 271 CO 0.00 0.32 0.30 0.77 -0.00 0.00 0.00 178.44 179.83 3n4v h SER 272 N 0.79 0.27 -0.10 2.65 0.02 -1.75 -0.37 113.55 115.06 3n4v h SER 272 Ca 0.44 0.11 -0.14 0.00 -0.84 0.00 0.00 61.79 61.36 3n4v h SER 272 Cb 0.49 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 3n4v h SER 272 CO -0.29 0.09 -0.43 -0.26 -1.14 0.00 0.00 176.83 174.80 3n4v h PHE 273 N 0.43 0.77 -0.80 3.45 0.04 -1.44 -2.58 116.94 116.81 3n4v h PHE 273 Ca 0.42 -0.23 -0.03 0.00 2.80 0.00 0.00 57.97 60.93 3n4v h PHE 273 Cb 0.65 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 38.61 3n4v h PHE 273 CO -0.17 0.96 0.37 0.93 -0.60 0.00 0.00 178.31 179.80 3n4v h GLU 274 N 0.52 1.16 -0.88 1.51 4.39 -0.99 -1.84 114.58 118.45 3n4v h GLU 274 Ca 0.04 -0.17 0.06 0.00 0.34 0.00 0.00 59.36 59.63 3n4v h GLU 274 Cb 0.96 -0.21 -0.06 0.00 -0.10 0.00 0.00 28.75 29.35 3n4v h GLU 274 CO 0.09 0.90 0.57 0.87 -1.16 0.00 0.00 179.01 180.28 3n4v h LYS 275 N 1.14 0.96 -0.20 2.33 1.57 -0.86 0.93 116.57 122.45 3n4v h LYS 275 Ca 0.27 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.84 3n4v h LYS 275 Cb 0.13 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.23 3n4v h LYS 275 CO -0.03 0.63 -0.50 0.82 -0.57 0.00 0.00 179.45 179.80 3n4v h ILE 276 N 0.99 1.31 -0.07 1.86 2.04 -1.06 0.25 117.51 122.83 3n4v h ILE 276 Ca 0.38 -1.73 -0.04 0.00 1.00 0.00 0.00 64.86 64.46 3n4v h ILE 276 Cb 0.21 1.89 -0.00 0.00 -0.74 0.00 0.00 36.82 38.18 3n4v h ILE 276 CO -0.14 0.54 -0.12 0.40 0.00 0.00 0.00 178.15 178.83 3n4v h ILE 277 N 0.39 1.40 0.04 -0.67 2.04 -1.06 -2.72 117.51 116.94 3n4v h ILE 277 Ca -0.01 -1.38 -0.24 0.00 1.00 0.00 0.00 64.86 64.22 3n4v h ILE 277 Cb 1.12 2.14 0.01 0.00 -0.74 0.00 0.00 36.82 39.34 3n4v h ILE 277 CO 0.11 0.39 -1.04 1.88 0.00 0.00 0.00 178.15 179.48 3n4v h TYR 278 N -0.25 0.62 -0.87 1.37 0.05 -0.89 -2.22 116.97 114.78 3n4v h TYR 278 Ca 0.01 -0.37 0.17 0.00 0.05 0.00 0.00 58.73 58.59 3n4v h TYR 278 Cb 0.68 -0.06 -0.07 0.00 1.01 0.00 0.00 36.73 38.30 3n4v h TYR 278 CO 0.11 1.21 0.57 0.78 -1.05 0.00 0.00 178.16 179.78 3n4v h GLY 279 N 1.22 0.96 1.50 3.88 0.00 -0.57 -0.10 103.07 109.97 3n4v h GLY 279 Ca -0.10 -0.22 -0.26 0.00 0.00 0.00 0.00 47.33 46.74 3n4v h GLY 279 CO 0.18 0.03 -1.35 1.70 0.00 0.00 0.00 176.54 177.11 3n4v h LYS 280 N 0.50 0.10 0.02 4.80 1.63 -1.33 -1.70 116.57 120.59 3n4v h LYS 280 Ca 0.45 -0.17 -0.22 0.00 -0.85 0.00 0.00 60.65 59.86 3n4v h LYS 280 Cb 0.97 0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.64 3n4v h LYS 280 CO -0.18 0.94 -1.02 0.93 -3.45 0.00 0.00 179.45 176.67 3n4v h GLU 281 N 0.03 0.06 0.02 1.90 5.08 -0.83 -3.30 114.58 117.53 3n4v h GLU 281 Ca -0.15 -0.09 -0.28 0.00 -1.00 0.00 0.00 59.36 57.83 3n4v h GLU 281 Cb 1.92 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 31.16 3n4v h GLU 281 CO 0.13 1.02 -1.55 1.88 -1.00 0.00 0.00 179.01 179.49 3n4v h TYR 282 N 0.02 0.06 0.00 4.33 0.05 -1.18 -3.48 116.97 116.77 3n4v h TYR 282 Ca -0.03 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.70 3n4v h TYR 282 Cb 1.76 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.49 3n4v h TYR 282 CO 0.01 1.07 0.00 0.41 -1.05 0.00 0.00 178.16 178.60 3n4v n GLY 283 N 1.54 0.57 3.57 3.88 0.00 -1.01 -4.88 105.19 108.87 3n4v n GLY 283 Ca -0.14 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.69 3n4v n GLY 283 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3n4v s TYR 284 N -2.00 1.42 -0.77 1.61 4.12 -0.67 -4.74 117.35 116.32 3n4v s TYR 284 Ca 0.00 1.65 0.10 0.00 0.02 0.00 0.00 57.07 58.83 3n4v s TYR 284 Cb 0.00 -3.58 0.46 0.00 -1.52 0.00 0.00 41.96 37.32 3n4v s TYR 284 CO 0.00 -1.13 1.30 -1.33 0.02 0.00 0.00 175.55 174.40 3n4v n MET 285 N 8.44 0.05 0.01 -0.62 2.81 -1.26 -1.26 117.12 125.29 3n4v n MET 285 Ca 0.43 0.48 -0.02 0.00 -1.81 0.00 0.00 57.70 56.78 3n4v n MET 285 Cb 0.46 -1.64 -0.10 0.00 -0.71 0.00 0.00 33.22 31.23 3n4v n MET 285 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 3n4v n ASP 286 N -1.74 0.79 0.02 7.83 5.68 -1.26 -3.21 116.55 124.66 3n4v n ASP 286 Ca 0.00 0.35 -0.13 0.00 -0.50 0.00 0.00 54.79 54.52 3n4v n ASP 286 Cb 0.06 0.22 -0.09 0.00 -1.14 0.00 0.00 41.12 40.16 3n4v n ASP 286 CO 0.00 0.00 0.00 -0.50 -1.33 0.00 0.00 177.20 175.37 3n4v h TRP 287 N 0.00 -0.07 -0.44 2.11 4.06 -1.50 -2.94 115.95 117.18 3n4v h TRP 287 Ca -0.21 -0.00 0.07 0.00 2.06 0.00 0.00 58.89 60.81 3n4v h TRP 287 Cb 1.70 0.02 -0.09 0.00 -1.00 0.00 0.00 29.16 29.79 3n4v h TRP 287 CO 0.00 0.36 -0.47 -0.92 -3.56 0.00 0.00 178.44 173.85 3n4v h TYR 288 N -0.52 -1.41 -0.05 0.49 3.20 -1.48 -0.87 116.97 116.33 3n4v h TYR 288 Ca -0.01 0.08 -0.11 0.00 3.14 0.00 0.00 58.73 61.83 3n4v h TYR 288 Cb 0.46 0.68 -0.01 0.00 1.54 0.00 0.00 36.73 39.39 3n4v h TYR 288 CO 0.07 -0.46 -0.47 1.05 -1.64 0.00 0.00 178.16 176.72 3n4v h GLU 289 N -0.34 0.11 -0.00 1.82 4.11 -1.63 0.12 114.58 118.77 3n4v h GLU 289 Ca 0.12 -0.06 -0.23 0.00 0.07 0.00 0.00 59.36 59.27 3n4v h GLU 289 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 3n4v h GLU 289 CO -0.60 0.56 -0.94 1.49 0.07 0.00 0.00 179.01 179.58 3n4v h GLU 290 N 0.09 0.45 -0.43 1.06 4.81 -1.30 0.37 114.58 119.63 3n4v h GLU 290 Ca 0.00 -0.48 -0.13 0.00 -0.13 0.00 0.00 59.36 58.62 3n4v h GLU 290 Cb 0.87 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 3n4v h GLU 290 CO 0.07 1.13 -0.26 0.78 -0.73 0.00 0.00 179.01 180.00 3n4v h GLY 291 N 1.13 0.99 0.97 1.92 0.00 -0.92 -2.12 103.07 105.05 3n4v h GLY 291 Ca -0.08 -0.90 -0.00 0.00 0.00 0.00 0.00 47.33 46.34 3n4v h GLY 291 CO 0.17 0.82 0.18 -2.00 0.00 0.00 0.00 176.54 175.71 3n4v h LEU 292 N 0.78 0.38 -0.50 3.11 5.85 -0.56 -2.61 115.31 121.77 3n4v h LEU 292 Ca 0.10 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.80 3n4v h LEU 292 Cb 0.82 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.70 3n4v h LEU 292 CO 0.07 0.34 0.22 0.78 -0.34 0.00 0.00 178.44 179.51 3n4v h ASN 293 N 0.40 0.28 -0.19 1.25 2.35 -0.18 -0.67 115.58 118.82 3n4v h ASN 293 Ca 0.11 0.04 0.06 0.00 -0.55 0.00 0.00 56.30 55.96 3n4v h ASN 293 Cb 0.03 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 3n4v h ASN 293 CO -0.02 0.20 0.14 -0.33 -1.65 0.00 0.00 177.43 175.76 3n4v h GLU 294 N 0.43 0.00 0.11 0.81 5.08 -1.19 -2.61 114.58 117.21 3n4v h GLU 294 Ca 0.23 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.27 3n4v h GLU 294 Cb 0.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3n4v h GLU 294 CO -0.19 0.00 -1.64 0.82 -1.00 0.00 0.00 179.01 176.99 3n4v h ILE 295 N 0.00 1.02 -0.06 3.13 2.04 -0.86 -3.11 117.51 119.66 3n4v h ILE 295 Ca 0.09 -2.69 0.02 0.00 1.00 0.00 0.00 64.86 63.28 3n4v h ILE 295 Cb 0.37 2.68 -0.00 0.00 -0.74 0.00 0.00 36.82 39.13 3n4v h ILE 295 CO -0.00 0.80 0.13 0.03 0.00 0.00 0.00 178.15 179.10 3n4v h ARG 296 N 0.06 0.00 -0.01 2.37 3.08 -0.79 -1.00 114.38 118.10 3n4v h ARG 296 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 3n4v h ARG 296 Cb 2.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.08 3n4v h ARG 296 CO 0.14 0.00 -0.10 0.43 -1.07 0.00 0.00 179.97 179.37 3n4v n SER 297 N -3.43 0.92 0.00 7.04 7.64 -1.11 -5.11 113.62 119.58 3n4v n SER 297 Ca -0.01 -1.02 0.12 0.00 1.01 0.00 0.00 58.87 58.97 3n4v n SER 297 Cb 0.21 0.02 0.74 0.00 -1.01 0.00 0.00 64.21 64.17 3n4v n SER 297 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03