#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n4k s ALA 0 N 0.00 3.16 0.03 -2.53 0.00 -1.26 -5.00 121.76 116.17 3n4k s ALA 0 Ca 0.00 0.16 -0.25 0.00 0.00 0.00 0.00 51.96 51.88 3n4k s ALA 0 Cb 0.00 -2.98 -0.17 0.00 0.00 0.00 0.00 23.12 19.97 3n4k s ALA 0 CO 0.00 0.07 1.48 1.98 0.00 0.00 0.00 175.76 179.29 3n4k h MET 1 N 1.64 -0.09 -3.35 0.00 4.05 -1.96 -2.87 114.93 112.35 3n4k h MET 1 Ca -0.48 0.01 -0.17 0.00 -0.28 0.00 0.00 59.70 58.78 3n4k h MET 1 Cb 1.18 0.02 -0.24 0.00 -0.80 0.00 0.00 31.60 31.76 3n4k h MET 1 CO 0.63 0.15 -0.49 -0.51 0.23 0.00 0.00 176.91 176.92 3n4k s LEU 2 N -9.72 1.35 -0.29 3.39 1.43 -1.26 -0.42 118.68 113.16 3n4k s LEU 2 Ca -0.14 0.17 -0.07 0.00 -1.03 0.00 0.00 54.13 53.05 3n4k s LEU 2 Cb 0.04 0.68 0.00 0.00 0.03 0.00 0.00 46.19 46.94 3n4k s LEU 2 CO 0.65 -0.18 0.09 0.20 0.23 0.00 0.00 176.35 177.33 3n4k s ASN 3 N -0.46 5.16 -0.22 2.29 0.01 -0.13 -1.04 114.94 120.56 3n4k s ASN 3 Ca -0.06 -0.60 -0.09 0.00 -0.71 0.00 0.00 52.86 51.41 3n4k s ASN 3 Cb -0.04 -1.90 -0.04 0.00 0.41 0.00 0.00 41.25 39.68 3n4k s ASN 3 CO 0.01 -0.16 0.11 -0.63 -1.51 0.00 0.00 177.10 174.92 3n4k s ILE 4 N 1.53 5.01 -0.20 0.60 1.09 0.01 -0.27 121.20 128.98 3n4k s ILE 4 Ca 0.04 0.06 -0.00 0.00 -1.10 0.00 0.00 60.65 59.64 3n4k s ILE 4 Cb -0.17 -3.31 0.05 0.00 -1.06 0.00 0.00 42.46 37.97 3n4k s ILE 4 CO 0.03 0.39 -0.05 -0.69 -0.10 0.00 0.00 174.94 174.52 3n4k s VAL 5 N 0.85 1.24 -0.30 2.92 1.01 0.03 -0.04 120.40 126.10 3n4k s VAL 5 Ca 0.06 -0.86 -0.12 0.00 0.00 0.00 0.00 61.98 61.05 3n4k s VAL 5 Cb -0.13 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 3n4k s VAL 5 CO 0.03 0.01 0.23 -0.76 0.00 0.00 0.00 175.10 174.60 3n4k s LEU 6 N 1.55 4.23 -0.32 3.92 1.43 -0.16 -1.12 118.68 128.22 3n4k s LEU 6 Ca -0.02 -0.16 -0.19 0.00 -1.03 0.00 0.00 54.13 52.73 3n4k s LEU 6 Cb -0.17 -2.15 -0.01 0.00 0.03 0.00 0.00 46.19 43.89 3n4k s LEU 6 CO -0.07 -0.14 0.58 0.12 0.23 0.00 0.00 176.35 177.07 3n4k s PHE 7 N 1.77 3.20 -1.25 0.29 5.36 -0.01 -0.93 117.98 126.41 3n4k s PHE 7 Ca 0.07 0.43 -0.02 0.00 -0.96 0.00 0.00 56.93 56.45 3n4k s PHE 7 Cb -0.17 -2.96 -0.01 0.00 -0.34 0.00 0.00 43.02 39.55 3n4k s PHE 7 CO 0.11 -0.49 0.76 0.39 -1.46 0.00 0.00 175.22 174.53 3n4k n GLU 8 N 5.82 -4.57 -1.62 10.12 1.02 -0.48 -3.49 120.64 127.44 3n4k n GLU 8 Ca -0.03 0.66 -0.49 0.00 -0.02 0.00 0.00 57.16 57.28 3n4k n GLU 8 Cb 0.49 -5.23 -0.05 0.00 -0.02 0.00 0.00 31.44 26.63 3n4k n GLU 8 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 3n4k n PRO 9 N -4.15 1.55 -0.09 3.49 -0.04 -1.26 -4.52 135.00 129.98 3n4k n PRO 9 Ca -0.26 0.56 -0.09 0.00 -0.04 0.00 0.00 63.50 63.66 3n4k n PRO 9 Cb 0.66 -2.25 -0.03 0.00 -0.04 0.00 0.00 33.50 31.85 3n4k n PRO 9 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3n4k n GLU 10 N 2.82 0.52 -3.61 0.54 1.02 -1.26 -0.49 120.64 120.19 3n4k n GLU 10 Ca 0.18 0.27 -0.40 0.00 -0.02 0.00 0.00 57.16 57.18 3n4k n GLU 10 Cb 0.23 -1.48 -0.11 0.00 -0.02 0.00 0.00 31.44 30.06 3n4k n GLU 10 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3n4k s ILE 11 N -2.78 4.55 0.37 -3.67 1.01 -1.26 -4.01 121.20 115.41 3n4k s ILE 11 Ca -0.27 -0.84 0.09 0.00 0.00 0.00 0.00 60.65 59.62 3n4k s ILE 11 Cb 0.04 -3.53 0.31 0.00 0.01 0.00 0.00 42.46 39.30 3n4k s ILE 11 CO 0.40 -0.22 1.92 -0.65 0.00 0.00 0.00 174.94 176.40 3n4k h PRO 12 N 8.42 0.65 -0.06 2.79 0.11 -1.92 -2.24 132.00 139.75 3n4k h PRO 12 Ca -0.26 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.72 3n4k h PRO 12 Cb 1.11 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 3n4k h PRO 12 CO 0.66 0.43 -0.37 -1.35 -0.21 0.00 0.00 178.00 177.16 3n4k h PRO 13 N 0.67 0.12 -0.19 1.05 0.11 -1.99 -1.45 132.00 130.32 3n4k h PRO 13 Ca 0.37 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.43 3n4k h PRO 13 Cb 0.52 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.62 3n4k h PRO 13 CO -0.14 0.48 0.12 -0.91 -0.21 0.00 0.00 178.00 177.34 3n4k h ASN 14 N 0.10 0.22 -0.75 -2.05 2.35 -1.84 -0.93 115.58 112.68 3n4k h ASN 14 Ca 0.01 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 3n4k h ASN 14 Cb 0.71 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.99 3n4k h ASN 14 CO 0.05 0.18 0.43 0.74 -1.65 0.00 0.00 177.43 177.18 3n4k h THR 15 N 0.24 1.22 -0.67 2.81 2.02 -1.34 -1.26 112.91 115.93 3n4k h THR 15 Ca 0.07 -0.51 0.04 0.00 0.77 0.00 0.00 66.41 66.77 3n4k h THR 15 Cb -0.00 0.20 -0.04 0.00 -1.74 0.00 0.00 68.15 66.56 3n4k h THR 15 CO -0.01 0.23 0.41 1.23 0.37 0.00 0.00 175.52 177.75 3n4k h GLY 16 N 1.03 0.96 1.54 2.16 0.00 -1.05 -0.19 103.07 107.53 3n4k h GLY 16 Ca 0.27 -0.30 -0.08 0.00 0.00 0.00 0.00 47.33 47.21 3n4k h GLY 16 CO -0.05 0.24 -0.17 3.43 0.00 0.00 0.00 176.54 180.00 3n4k h ASN 17 N 0.79 0.53 -0.26 0.19 2.35 -0.83 -2.28 115.58 116.07 3n4k h ASN 17 Ca 0.27 -0.16 -0.11 0.00 -0.55 0.00 0.00 56.30 55.76 3n4k h ASN 17 Cb 0.06 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 3n4k h ASN 17 CO -0.12 0.72 -0.21 0.40 -1.65 0.00 0.00 177.43 176.57 3n4k h ILE 18 N 0.49 1.27 -0.29 2.81 2.04 -0.60 -1.15 117.51 122.08 3n4k h ILE 18 Ca 0.08 -1.30 0.01 0.00 1.00 0.00 0.00 64.86 64.65 3n4k h ILE 18 Cb 0.57 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 3n4k h ILE 18 CO 0.04 0.43 0.18 0.40 0.00 0.00 0.00 178.15 179.20 3n4k h ILE 19 N 0.64 1.05 -0.54 -0.67 2.04 -0.67 0.23 117.51 119.59 3n4k h ILE 19 Ca 0.09 -0.13 -0.07 0.00 1.00 0.00 0.00 64.86 65.75 3n4k h ILE 19 Cb 0.70 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 3n4k h ILE 19 CO 0.05 0.07 0.05 -0.09 0.00 0.00 0.00 178.15 178.23 3n4k h ARG 20 N 0.37 0.91 -0.40 2.37 9.65 -1.31 -1.94 114.38 124.04 3n4k h ARG 20 Ca 0.11 -0.27 0.06 0.00 -1.10 0.00 0.00 59.98 58.79 3n4k h ARG 20 Cb -0.02 -0.10 -0.05 0.00 -1.39 0.00 0.00 29.97 28.41 3n4k h ARG 20 CO -0.04 0.91 0.07 1.25 2.80 0.00 0.00 179.97 184.96 3n4k h LEU 21 N 0.80 -0.01 -0.97 3.80 5.85 -0.95 -0.61 115.31 123.21 3n4k h LEU 21 Ca 0.16 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 3n4k h LEU 21 Cb 0.46 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 3n4k h LEU 21 CO 0.02 0.03 0.40 0.00 -0.34 0.00 0.00 178.44 178.55 3n4k h ALA 23 N 1.31 0.67 0.00 0.00 0.00 -0.93 -0.02 119.26 120.29 3n4k h ALA 23 Ca 0.28 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 3n4k h ALA 23 Cb 0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3n4k h ALA 23 CO -0.04 0.67 -0.19 -0.91 0.00 0.00 0.00 179.25 178.78 3n4k h ASN 24 N 0.66 0.00 0.00 0.00 2.35 -0.98 -3.17 115.58 114.44 3n4k h ASN 24 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3n4k h ASN 24 Cb 0.95 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.32 3n4k h ASN 24 CO 0.09 0.19 -0.59 0.35 -1.65 0.00 0.00 177.43 175.82 3n4k n THR 25 N -3.92 0.00 -2.00 2.81 -2.24 -0.90 -5.00 114.28 103.03 3n4k n THR 25 Ca -0.02 -0.21 -0.03 0.00 -2.27 0.00 0.00 64.05 61.52 3n4k n THR 25 Cb 0.28 0.99 -0.00 0.00 -2.10 0.00 0.00 70.33 69.49 3n4k n THR 25 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3n4k n GLY 26 N 1.30 0.26 3.91 3.38 0.00 -0.17 -4.96 105.19 108.91 3n4k n GLY 26 Ca 0.02 -0.77 -0.28 0.00 0.00 0.00 0.00 46.02 44.99 3n4k n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n4k s GLN 28 N -3.59 4.15 0.03 0.00 2.00 -0.20 -4.60 119.66 117.44 3n4k s GLN 28 Ca 0.42 0.48 -0.17 0.00 -2.00 0.00 0.00 55.36 54.09 3n4k s GLN 28 Cb -0.11 -3.61 -0.06 0.00 0.80 0.00 0.00 33.01 30.04 3n4k s GLN 28 CO 0.30 -0.28 0.49 -1.17 -0.50 0.00 0.00 175.29 174.14 3n4k s LEU 29 N 2.06 4.49 -0.01 3.68 2.96 -1.26 -0.81 118.68 129.79 3n4k s LEU 29 Ca 0.25 1.10 0.06 0.00 -0.22 0.00 0.00 54.13 55.32 3n4k s LEU 29 Cb -0.16 -2.74 -0.02 0.00 0.50 0.00 0.00 46.19 43.78 3n4k s LEU 29 CO 0.09 0.29 -0.19 -1.00 -1.32 0.00 0.00 176.35 174.22 3n4k s HIS 30 N -1.02 1.69 -0.12 5.38 3.76 0.95 -1.17 115.29 124.75 3n4k s HIS 30 Ca 0.26 -0.32 0.01 0.00 -0.15 0.00 0.00 55.06 54.86 3n4k s HIS 30 Cb -0.18 -1.08 0.02 0.00 1.11 0.00 0.00 32.58 32.44 3n4k s HIS 30 CO 0.16 -0.02 -0.15 -0.51 -0.85 0.00 0.00 174.74 173.37 3n4k s LEU 31 N -0.49 1.73 -0.23 0.89 1.43 -0.30 -0.98 118.68 120.73 3n4k s LEU 31 Ca 0.07 -0.45 -0.08 0.00 -1.03 0.00 0.00 54.13 52.64 3n4k s LEU 31 Cb -0.07 -1.13 -0.04 0.00 0.03 0.00 0.00 46.19 44.98 3n4k s LEU 31 CO -0.01 -0.00 0.08 -0.63 0.23 0.00 0.00 176.35 176.02 3n4k s ILE 32 N 1.12 4.58 0.71 -0.59 1.01 -0.11 -0.85 121.20 127.07 3n4k s ILE 32 Ca -0.03 -0.09 -0.12 0.00 0.00 0.00 0.00 60.65 60.40 3n4k s ILE 32 Cb -0.14 -3.12 0.02 0.00 0.01 0.00 0.00 42.46 39.23 3n4k s ILE 32 CO -0.04 0.37 1.09 -0.54 0.00 0.00 0.00 174.94 175.82 3n4k s LYS 33 N 1.22 2.62 0.20 2.79 1.02 -0.12 -1.38 119.74 126.09 3n4k s LYS 33 Ca 0.05 1.22 -0.29 0.00 0.02 0.00 0.00 55.97 56.96 3n4k s LYS 33 Cb -0.14 -1.94 -0.08 0.00 -0.52 0.00 0.00 37.83 35.14 3n4k s LYS 33 CO 0.04 -1.37 0.91 -1.25 -0.92 0.00 0.00 175.35 172.76 3n4k s PRO 34 N -4.58 4.78 0.35 -1.68 0.04 -1.26 -4.36 135.00 128.28 3n4k s PRO 34 Ca 0.63 1.42 -0.26 0.00 0.04 0.00 0.00 61.00 62.83 3n4k s PRO 34 Cb -0.18 -3.30 -0.09 0.00 0.04 0.00 0.00 34.50 30.97 3n4k s PRO 34 CO 0.49 0.47 1.04 -0.51 0.04 0.00 0.00 177.00 178.53 3n4k s LEU 35 N -0.94 4.29 0.00 -3.56 1.43 -1.26 -4.29 118.68 114.34 3n4k s LEU 35 Ca 0.41 2.05 0.23 0.00 -1.03 0.00 0.00 54.13 55.79 3n4k s LEU 35 Cb -0.25 -4.01 1.14 0.00 0.03 0.00 0.00 46.19 43.11 3n4k s LEU 35 CO 0.30 -0.31 1.76 0.61 0.23 0.00 0.00 176.35 178.95 3n4k n GLY 36 N 0.62 -0.48 3.43 -3.19 0.00 0.36 -4.86 105.19 101.05 3n4k n GLY 36 Ca 0.03 -0.27 -0.10 0.00 0.00 0.00 0.00 46.02 45.68 3n4k n GLY 36 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3n4k s PHE 37 N -1.94 0.60 -0.13 1.61 -0.12 -1.26 -4.85 117.98 111.90 3n4k s PHE 37 Ca 0.34 -0.93 -0.22 0.00 -0.05 0.00 0.00 56.93 56.07 3n4k s PHE 37 Cb 0.17 -0.08 -0.03 0.00 -0.63 0.00 0.00 43.02 42.45 3n4k s PHE 37 CO 0.27 -0.84 0.67 0.95 -0.05 0.00 0.00 175.22 176.23 3n4k s THR 38 N -4.05 5.03 -0.25 -4.49 -4.23 -1.26 -5.03 115.64 101.36 3n4k s THR 38 Ca 0.26 1.34 -0.23 0.00 -1.18 0.00 0.00 61.69 61.88 3n4k s THR 38 Cb 0.02 -4.00 -0.01 0.00 1.34 0.00 0.00 72.50 69.85 3n4k s THR 38 CO 0.08 0.17 0.76 0.86 -0.54 0.00 0.00 174.62 175.95 3n4k s TRP 39 N 1.39 3.30 -0.14 3.99 -0.11 -1.26 -5.00 118.94 121.11 3n4k s TRP 39 Ca 0.33 1.02 -0.05 0.00 1.22 0.00 0.00 56.10 58.62 3n4k s TRP 39 Cb -0.17 -2.98 0.07 0.00 -1.50 0.00 0.00 33.47 28.89 3n4k s TRP 39 CO 0.14 -0.38 0.28 0.34 -4.62 0.00 0.00 176.95 172.71 3n4k s ASP 40 N 1.39 0.20 0.33 5.86 2.15 -1.26 -5.03 116.67 120.31 3n4k s ASP 40 Ca 0.32 0.64 0.02 0.00 0.43 0.00 0.00 52.55 53.95 3n4k s ASP 40 Cb -0.15 0.75 0.58 0.00 -0.30 0.00 0.00 42.92 43.80 3n4k s ASP 40 CO 0.08 -0.23 1.96 0.44 -0.17 0.00 0.00 175.17 177.25 3n4k h ASP 41 N 8.14 0.82 -0.33 -0.34 5.19 -1.99 -1.12 116.42 126.78 3n4k h ASP 41 Ca -0.17 -0.01 -0.11 0.00 -0.62 0.00 0.00 57.03 56.11 3n4k h ASP 41 Cb 1.12 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 40.43 3n4k h ASP 41 CO 0.16 0.56 -0.20 0.11 -3.12 0.00 0.00 179.24 176.75 3n4k h LYS 42 N 0.95 0.81 -0.57 3.56 1.57 -1.99 -0.97 116.57 119.93 3n4k h LYS 42 Ca 0.31 -0.32 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 3n4k h LYS 42 Cb 0.06 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 3n4k h LYS 42 CO -0.09 0.94 0.10 0.00 -0.57 0.00 0.00 179.45 179.83 3n4k h ARG 43 N 0.71 0.94 -0.63 3.15 3.08 -1.76 -1.12 114.38 118.75 3n4k h ARG 43 Ca 0.10 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.91 3n4k h ARG 43 Cb 0.71 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.62 3n4k h ARG 43 CO 0.05 0.89 0.41 -0.07 -1.07 0.00 0.00 179.97 180.18 3n4k h LEU 44 N 0.84 0.73 -0.37 3.04 3.38 -0.93 -0.23 115.31 121.78 3n4k h LEU 44 Ca 0.18 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 3n4k h LEU 44 Cb 0.40 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3n4k h LEU 44 CO 0.01 0.55 -0.01 0.03 0.09 0.00 0.00 178.44 179.11 3n4k h ARG 45 N 0.85 0.65 -0.28 1.13 3.08 -1.05 -1.55 114.38 117.21 3n4k h ARG 45 Ca 0.23 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 3n4k h ARG 45 Cb -0.07 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 3n4k h ARG 45 CO -0.05 0.76 0.15 -0.09 -1.07 0.00 0.00 179.97 179.67 3n4k h ARG 46 N 0.47 0.38 0.00 0.04 9.65 -1.02 0.11 114.38 124.01 3n4k h ARG 46 Ca 0.10 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 3n4k h ARG 46 Cb 0.47 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.97 3n4k h ARG 46 CO 0.02 0.28 0.00 0.00 2.80 0.00 0.00 179.97 183.07 3n4k n ALA 47 N -2.49 2.10 0.00 2.80 0.00 -0.11 -4.88 120.51 117.92 3n4k n ALA 47 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3n4k n ALA 47 Cb 0.10 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.23 3n4k n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n4k n GLY 48 N 0.29 0.64 3.85 0.00 0.00 0.38 -5.07 105.19 105.27 3n4k n GLY 48 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 3n4k n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3n4k s LEU 49 N 0.00 4.31 0.08 0.99 1.43 -0.62 -5.00 118.68 119.86 3n4k s LEU 49 Ca 0.00 1.08 -0.01 0.00 -1.03 0.00 0.00 54.13 54.17 3n4k s LEU 49 Cb 0.00 -3.37 -0.04 0.00 0.03 0.00 0.00 46.19 42.81 3n4k s LEU 49 CO 0.00 0.07 0.25 -1.81 0.23 0.00 0.00 176.35 175.09 3n4k s ASP 50 N -1.81 6.40 0.26 2.29 1.01 -1.26 -4.05 116.67 119.50 3n4k s ASP 50 Ca 0.40 0.36 -0.01 0.00 0.71 0.00 0.00 52.55 54.01 3n4k s ASP 50 Cb -0.14 -2.00 0.56 0.00 1.01 0.00 0.00 42.92 42.35 3n4k s ASP 50 CO 0.19 0.14 1.72 0.22 0.21 0.00 0.00 175.17 177.66 3n4k h TYR 51 N 3.06 0.56 0.00 4.23 5.03 -1.98 -0.73 116.97 127.14 3n4k h TYR 51 Ca -0.45 0.04 -0.01 0.00 2.58 0.00 0.00 58.73 60.89 3n4k h TYR 51 Cb 1.16 -0.12 -0.00 0.00 1.55 0.00 0.00 36.73 39.32 3n4k h TYR 51 CO 0.61 0.02 -0.03 1.12 -1.32 0.00 0.00 178.16 178.57 3n4k h HIS 52 N 0.43 0.00 -0.02 -3.82 2.07 -2.00 0.07 115.15 111.88 3n4k h HIS 52 Ca 0.47 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.87 3n4k h HIS 52 Cb 0.78 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.75 3n4k h HIS 52 CO -0.16 0.03 -0.56 0.93 -3.07 0.00 0.00 177.93 175.10 3n4k h GLU 53 N 0.00 0.06 -0.00 5.12 5.08 -1.52 -3.34 114.58 119.98 3n4k h GLU 53 Ca -0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3n4k h GLU 53 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3n4k h GLU 53 CO 0.00 0.60 -0.20 1.97 -1.00 0.00 0.00 179.01 180.39 3n4k n PHE 54 N -3.88 0.00 0.07 4.33 1.16 -0.62 -4.77 117.46 113.74 3n4k n PHE 54 Ca -0.02 0.00 0.04 0.00 -1.87 0.00 0.00 57.45 55.61 3n4k n PHE 54 Cb 0.57 0.00 0.46 0.00 -1.61 0.00 0.00 39.48 38.90 3n4k n PHE 54 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3n4k h ALA 55 N 0.65 1.72 -0.43 1.98 0.00 -1.15 -2.96 119.26 119.06 3n4k h ALA 55 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3n4k h ALA 55 Cb 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3n4k h ALA 55 CO 0.00 0.24 0.00 -0.25 0.00 0.00 0.00 179.25 179.24 3n4k n ASP 56 N -4.45 3.94 -4.77 0.00 8.00 -1.26 -4.99 116.55 113.02 3n4k n ASP 56 Ca 0.01 -2.50 -0.40 0.00 0.71 0.00 0.00 54.79 52.61 3n4k n ASP 56 Cb 0.11 -0.46 0.01 0.00 -0.02 0.00 0.00 41.12 40.75 3n4k n ASP 56 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3n4k s ILE 57 N -1.91 2.12 -0.27 0.53 1.01 -1.12 -4.83 121.20 116.73 3n4k s ILE 57 Ca 0.40 0.12 -0.14 0.00 0.00 0.00 0.00 60.65 61.03 3n4k s ILE 57 Cb 0.27 -3.07 -0.04 0.00 0.01 0.00 0.00 42.46 39.63 3n4k s ILE 57 CO 0.17 0.02 0.32 -0.54 0.00 0.00 0.00 174.94 174.91 3n4k s LYS 58 N -2.26 4.00 -0.18 2.79 1.02 -0.32 -5.01 119.74 119.78 3n4k s LYS 58 Ca 0.57 -0.06 -0.08 0.00 0.02 0.00 0.00 55.97 56.41 3n4k s LYS 58 Cb -0.44 -3.66 -0.04 0.00 -0.52 0.00 0.00 37.83 33.16 3n4k s LYS 58 CO 0.59 -0.25 0.10 -1.01 -0.92 0.00 0.00 175.35 173.85 3n4k s HIS 59 N 1.98 3.37 -0.01 3.18 3.76 -1.26 -1.14 115.29 125.16 3n4k s HIS 59 Ca 0.13 0.25 0.06 0.00 -0.15 0.00 0.00 55.06 55.35 3n4k s HIS 59 Cb -0.16 -2.08 -0.02 0.00 1.11 0.00 0.00 32.58 31.44 3n4k s HIS 59 CO 0.10 0.32 -0.20 -1.01 -0.85 0.00 0.00 174.74 173.10 3n4k s HIS 60 N 0.09 1.77 0.28 1.40 3.76 -0.03 -4.96 115.29 117.61 3n4k s HIS 60 Ca 0.07 -0.34 0.06 0.00 -0.15 0.00 0.00 55.06 54.70 3n4k s HIS 60 Cb -0.12 -1.13 0.41 0.00 1.11 0.00 0.00 32.58 32.85 3n4k s HIS 60 CO -0.00 -0.02 1.68 1.25 -0.85 0.00 0.00 174.74 176.80 3n4k h HIS 61 N 5.56 0.32 -2.75 1.40 2.76 -1.91 -0.28 115.15 120.24 3n4k h HIS 61 Ca -0.39 -0.09 0.08 0.00 -2.20 0.00 0.00 60.37 57.77 3n4k h HIS 61 Cb 1.14 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 30.02 3n4k h HIS 61 CO 0.41 0.66 0.43 0.16 -1.30 0.00 0.00 177.93 178.28 3n4k s ASP 62 N -6.88 -0.01 0.18 3.26 1.47 -1.26 -4.14 116.67 109.29 3n4k s ASP 62 Ca -0.05 -0.87 -0.11 0.00 1.18 0.00 0.00 52.55 52.70 3n4k s ASP 62 Cb 0.13 0.67 0.10 0.00 -0.34 0.00 0.00 42.92 43.48 3n4k s ASP 62 CO 0.78 -1.32 1.75 0.22 0.68 0.00 0.00 175.17 177.28 3n4k h TYR 63 N 2.00 0.98 -0.80 2.11 3.20 -1.91 -2.15 116.97 120.39 3n4k h TYR 63 Ca -0.29 -0.07 -0.01 0.00 3.14 0.00 0.00 58.73 61.50 3n4k h TYR 63 Cb 1.23 -0.29 -0.04 0.00 1.54 0.00 0.00 36.73 39.17 3n4k h TYR 63 CO 1.28 0.76 0.45 0.37 -1.64 0.00 0.00 178.16 179.38 3n4k h GLN 64 N 0.91 1.10 -0.64 1.82 5.75 -1.99 0.29 115.11 122.36 3n4k h GLN 64 Ca 0.22 -0.11 -0.05 0.00 -0.15 0.00 0.00 58.65 58.56 3n4k h GLN 64 Cb 0.18 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 28.48 3n4k h GLN 64 CO -0.02 0.79 0.21 0.00 -2.65 0.00 0.00 178.83 177.16 3n4k h ALA 65 N 1.39 1.18 0.44 3.38 0.00 -1.86 -0.44 119.26 123.34 3n4k h ALA 65 Ca 0.28 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3n4k h ALA 65 Cb 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3n4k h ALA 65 CO -0.05 0.58 -0.29 0.35 0.00 0.00 0.00 179.25 179.84 3n4k h PHE 66 N 0.93 -0.77 -0.73 0.00 3.57 -0.72 -0.02 116.94 119.20 3n4k h PHE 66 Ca 0.21 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.83 3n4k h PHE 66 Cb 0.25 0.28 -0.09 0.00 2.79 0.00 0.00 35.95 39.18 3n4k h PHE 66 CO 0.02 -0.44 0.31 -0.07 -2.23 0.00 0.00 178.31 175.89 3n4k h LEU 67 N -0.71 0.32 -0.40 0.59 3.38 -0.64 -1.50 115.31 116.36 3n4k h LEU 67 Ca -0.05 0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 3n4k h LEU 67 Cb 0.59 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 3n4k h LEU 67 CO 0.03 0.15 -0.05 0.44 0.09 0.00 0.00 178.44 179.10 3n4k h ASP 68 N 0.48 0.73 -0.88 -0.43 3.32 -0.90 0.14 116.42 118.89 3n4k h ASP 68 Ca 0.39 -0.34 0.01 0.00 0.02 0.00 0.00 57.03 57.11 3n4k h ASP 68 Cb 0.54 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.85 3n4k h ASP 68 CO -0.36 0.90 0.58 -1.28 -1.72 0.00 0.00 179.24 177.36 3n4k h SER 69 N 0.56 1.00 -0.13 6.45 0.87 -0.74 -2.65 113.55 118.90 3n4k h SER 69 Ca 0.11 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 3n4k h SER 69 Cb 0.55 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 3n4k h SER 69 CO 0.03 0.72 0.00 -0.62 -0.53 0.00 0.00 176.83 176.43 3n4k n GLU 70 N -4.48 1.85 -3.70 2.24 -0.58 -0.59 -4.94 120.64 110.44 3n4k n GLU 70 Ca 0.10 -1.26 -0.25 0.00 -0.42 0.00 0.00 57.16 55.33 3n4k n GLU 70 Cb 0.02 -1.44 0.06 0.00 -0.57 0.00 0.00 31.44 29.51 3n4k n GLU 70 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3n4k n LYS 71 N 0.49 -6.71 -3.91 3.49 5.02 0.08 -4.99 118.16 111.62 3n4k n LYS 71 Ca 0.17 0.73 -0.36 0.00 -2.02 0.00 0.00 58.31 56.83 3n4k n LYS 71 Cb 0.39 -5.68 -0.06 0.00 -0.02 0.00 0.00 35.03 29.66 3n4k n LYS 71 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3n4k s LEU 72 N -7.14 4.33 -0.34 -0.35 1.43 0.27 -5.03 118.68 111.86 3n4k s LEU 72 Ca 0.49 0.42 -0.24 0.00 -1.03 0.00 0.00 54.13 53.77 3n4k s LEU 72 Cb -0.23 -2.19 0.01 0.00 0.03 0.00 0.00 46.19 43.81 3n4k s LEU 72 CO 0.77 0.37 0.83 -0.62 0.23 0.00 0.00 176.35 177.93 3n4k s ASP 73 N -1.25 6.65 0.63 2.29 -1.08 -1.26 -4.56 116.67 118.09 3n4k s ASP 73 Ca 0.18 0.58 0.35 0.00 -0.52 0.00 0.00 52.55 53.14 3n4k s ASP 73 Cb -0.12 -2.42 1.96 0.00 -1.46 0.00 0.00 42.92 40.88 3n4k s ASP 73 CO 0.08 -0.71 2.19 0.77 0.52 0.00 0.00 175.17 178.02 3n4k h SER 74 N 8.29 0.00 0.70 -0.34 4.64 -1.97 -1.53 113.55 123.34 3n4k h SER 74 Ca -0.24 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.03 3n4k h SER 74 Cb 1.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 3n4k h SER 74 CO 0.92 0.00 -0.25 0.71 -0.87 0.00 0.00 176.83 177.34 3n4k h THR 75 N 0.00 0.71 -0.41 2.95 1.35 -1.91 -3.41 112.91 112.19 3n4k h THR 75 Ca 0.03 -1.09 0.03 0.00 -0.55 0.00 0.00 66.41 64.83 3n4k h THR 75 Cb 0.27 1.69 -0.17 0.00 -1.73 0.00 0.00 68.15 68.21 3n4k h THR 75 CO -0.00 0.25 -0.21 -1.58 -0.25 0.00 0.00 175.52 173.73 3n4k s GLN 76 N -3.83 0.38 0.11 4.72 0.74 -0.71 -4.82 119.66 116.26 3n4k s GLN 76 Ca -0.01 -0.26 -0.32 0.00 0.05 0.00 0.00 55.36 54.82 3n4k s GLN 76 Cb 0.12 0.01 -0.12 0.00 1.10 0.00 0.00 33.01 34.12 3n4k s GLN 76 CO 0.64 -0.51 1.76 -2.30 -0.55 0.00 0.00 175.29 174.33 3n4k n PRO 77 N 3.33 2.53 -2.61 1.67 -0.02 -0.66 -4.66 135.00 134.58 3n4k n PRO 77 Ca 0.10 0.92 -0.41 0.00 -2.02 0.00 0.00 63.50 62.09 3n4k n PRO 77 Cb 0.62 -2.77 -0.04 0.00 -0.02 0.00 0.00 33.50 31.29 3n4k n PRO 77 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3n4k s ALA 78 N 2.24 3.33 -1.47 3.55 0.00 -1.26 -3.86 121.76 124.29 3n4k s ALA 78 Ca 0.82 0.72 -0.07 0.00 0.00 0.00 0.00 51.96 53.43 3n4k s ALA 78 Cb -0.57 -3.31 0.03 0.00 0.00 0.00 0.00 23.12 19.27 3n4k s ALA 78 CO 0.39 -0.09 0.65 0.54 0.00 0.00 0.00 175.76 177.25 3n4k n ARG 79 N 2.31 -4.82 -4.38 0.00 5.12 -1.26 -4.84 116.66 108.78 3n4k n ARG 79 Ca 0.02 0.77 -0.34 0.00 -1.93 0.00 0.00 57.85 56.37 3n4k n ARG 79 Cb 0.47 -5.62 -0.14 0.00 -1.16 0.00 0.00 32.46 26.01 3n4k n ARG 79 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3n4k s LEU 80 N -6.73 2.79 -0.16 0.55 0.20 -1.25 -0.84 118.68 113.24 3n4k s LEU 80 Ca 0.37 -0.35 0.00 0.00 0.69 0.00 0.00 54.13 54.84 3n4k s LEU 80 Cb -0.18 -1.66 0.00 0.00 -0.43 0.00 0.00 46.19 43.92 3n4k s LEU 80 CO 0.46 0.09 -0.16 -0.36 -0.29 0.00 0.00 176.35 176.09 3n4k s PHE 81 N 0.82 2.79 -0.17 5.38 0.08 0.13 -4.82 117.98 122.18 3n4k s PHE 81 Ca -0.03 -1.14 -0.04 0.00 0.12 0.00 0.00 56.93 55.83 3n4k s PHE 81 Cb -0.15 -1.90 -0.03 0.00 -0.57 0.00 0.00 43.02 40.37 3n4k s PHE 81 CO 0.01 -0.54 -0.02 0.00 -0.10 0.00 0.00 175.22 174.57 3n4k s ALA 82 N 0.94 3.05 -0.13 5.36 0.00 -0.06 -0.53 121.76 130.37 3n4k s ALA 82 Ca -0.03 -0.85 -0.29 0.00 0.00 0.00 0.00 51.96 50.79 3n4k s ALA 82 Cb -0.15 -1.64 -0.01 0.00 0.00 0.00 0.00 23.12 21.32 3n4k s ALA 82 CO -0.02 0.12 0.99 -1.17 0.00 0.00 0.00 175.76 175.68 3n4k s LEU 83 N 0.52 4.21 -0.19 0.00 2.96 -0.27 -0.93 118.68 124.98 3n4k s LEU 83 Ca -0.02 1.46 -0.25 0.00 -0.22 0.00 0.00 54.13 55.10 3n4k s LEU 83 Cb -0.14 -3.52 0.06 0.00 0.50 0.00 0.00 46.19 43.10 3n4k s LEU 83 CO 0.02 -0.48 0.66 0.28 -1.32 0.00 0.00 176.35 175.51 3n4k s THR 84 N 2.24 0.00 0.07 3.68 -1.32 -0.37 -4.59 115.64 115.35 3n4k s THR 84 Ca 0.46 -0.02 0.32 0.00 -1.21 0.00 0.00 61.69 61.25 3n4k s THR 84 Cb -0.17 -0.93 0.34 0.00 -1.51 0.00 0.00 72.50 70.22 3n4k s THR 84 CO 0.15 -0.01 1.97 0.71 -2.21 0.00 0.00 174.62 175.23 3n4k h THR 85 N 3.79 0.00 -0.02 5.08 1.35 -1.95 -1.08 112.91 120.08 3n4k h THR 85 Ca -0.28 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 3n4k h THR 85 Cb 1.16 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 3n4k h THR 85 CO 0.18 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.74 3n4k n LYS 86 N -2.74 1.09 -1.72 4.72 5.02 -1.26 -4.93 118.16 118.34 3n4k n LYS 86 Ca -0.00 -0.13 -0.29 0.00 -2.02 0.00 0.00 58.31 55.87 3n4k n LYS 86 Cb 0.17 -1.24 0.12 0.00 -0.02 0.00 0.00 35.03 34.05 3n4k n LYS 86 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3n4k s GLY 87 N -1.45 1.59 0.00 0.72 0.00 -0.41 -5.02 107.32 102.75 3n4k s GLY 87 Ca 0.23 -0.61 0.00 0.00 0.00 0.00 0.00 44.72 44.34 3n4k s GLY 87 CO 0.18 -0.07 0.00 2.41 0.00 0.00 0.00 173.10 175.61 3n4k n THR 88 N -3.56 0.00 -2.23 0.90 -1.04 -0.35 -4.77 114.28 103.23 3n4k n THR 88 Ca 0.07 0.17 -0.35 0.00 -2.04 0.00 0.00 64.05 61.90 3n4k n THR 88 Cb 0.60 -1.11 0.00 0.00 -1.82 0.00 0.00 70.33 68.01 3n4k n THR 88 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3n4k s PRO 89 N -0.80 3.37 0.69 -2.82 0.04 -1.24 -4.74 135.00 129.50 3n4k s PRO 89 Ca 0.00 1.66 -0.16 0.00 0.04 0.00 0.00 61.00 62.53 3n4k s PRO 89 Cb 0.00 -2.05 0.02 0.00 0.04 0.00 0.00 34.50 32.51 3n4k s PRO 89 CO 0.00 -0.85 1.25 0.00 0.04 0.00 0.00 177.00 177.45 3n4k s ALA 90 N -1.72 2.22 0.57 8.56 0.00 -1.26 -1.24 121.76 128.90 3n4k s ALA 90 Ca 0.72 1.06 0.28 0.00 0.00 0.00 0.00 51.96 54.02 3n4k s ALA 90 Cb -0.25 -3.52 1.50 0.00 0.00 0.00 0.00 23.12 20.85 3n4k s ALA 90 CO 0.29 -1.77 1.97 1.12 0.00 0.00 0.00 175.76 177.37 3n4k h HIS 91 N 0.10 0.00 -0.07 0.00 2.07 -1.57 0.03 115.15 115.72 3n4k h HIS 91 Ca -0.49 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.03 3n4k h HIS 91 Cb 1.32 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.30 3n4k h HIS 91 CO 0.44 0.00 0.00 -1.13 -3.07 0.00 0.00 177.93 174.17 3n4k n SER 92 N -3.91 1.93 -0.94 3.10 3.41 -1.26 -4.03 113.62 111.92 3n4k n SER 92 Ca 0.07 -1.66 0.11 0.00 -0.26 0.00 0.00 58.87 57.14 3n4k n SER 92 Cb 0.58 -0.03 0.11 0.00 -0.26 0.00 0.00 64.21 64.61 3n4k n SER 92 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3n4k n ALA 93 N 0.51 2.45 -2.58 7.33 0.00 -0.00 -4.91 120.51 123.31 3n4k n ALA 93 Ca 0.18 -0.73 -0.22 0.00 0.00 0.00 0.00 53.44 52.66 3n4k n ALA 93 Cb 0.41 -0.78 -0.05 0.00 0.00 0.00 0.00 19.45 19.03 3n4k n ALA 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3n4k s VAL 94 N -1.83 3.43 -0.32 0.00 -7.23 -1.25 -4.94 120.40 108.28 3n4k s VAL 94 Ca 0.28 -1.60 -0.06 0.00 -1.81 0.00 0.00 61.98 58.80 3n4k s VAL 94 Cb 0.19 -3.08 0.03 0.00 0.56 0.00 0.00 36.38 34.09 3n4k s VAL 94 CO 0.29 -0.23 0.08 -0.55 -0.31 0.00 0.00 175.10 174.37 3n4k s SER 95 N -3.86 5.15 0.45 4.85 0.15 -1.26 -5.07 113.70 114.12 3n4k s SER 95 Ca 0.37 -1.03 -0.12 0.00 0.70 0.00 0.00 55.95 55.87 3n4k s SER 95 Cb -0.05 -1.84 -0.07 0.00 -1.71 0.00 0.00 66.02 62.35 3n4k s SER 95 CO 0.24 -0.27 0.85 -0.31 1.20 0.00 0.00 173.24 174.95 3n4k s TYR 96 N 1.41 3.47 0.08 3.44 2.02 -1.26 -5.10 117.35 121.41 3n4k s TYR 96 Ca -0.01 1.19 0.03 0.00 -0.37 0.00 0.00 57.07 57.92 3n4k s TYR 96 Cb -0.19 -2.57 -0.03 0.00 -0.40 0.00 0.00 41.96 38.77 3n4k s TYR 96 CO 0.02 -0.22 -0.10 -0.65 -1.57 0.00 0.00 175.55 173.03 3n4k s GLN 97 N -4.00 0.78 0.32 -0.62 -0.21 -1.26 -4.84 119.66 109.82 3n4k s GLN 97 Ca 0.54 -1.07 -0.28 0.00 0.02 0.00 0.00 55.36 54.57 3n4k s GLN 97 Cb -0.10 -0.49 -0.13 0.00 1.00 0.00 0.00 33.01 33.28 3n4k s GLN 97 CO 0.33 0.08 1.10 0.00 -2.12 0.00 0.00 175.29 174.68 3n4k n ALA 98 N 0.76 0.32 -0.99 6.09 0.00 -1.26 -1.92 120.51 123.50 3n4k n ALA 98 Ca -0.18 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.63 3n4k n ALA 98 Cb 0.57 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.92 3n4k n ALA 98 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3n4k n ASN 99 N 1.02 -1.41 -4.69 0.00 5.03 0.44 -5.00 115.26 110.65 3n4k n ASN 99 Ca 0.08 0.00 -0.35 0.00 0.87 0.00 0.00 54.58 55.18 3n4k n ASN 99 Cb 0.34 -0.32 0.10 0.00 -1.02 0.00 0.00 39.78 38.88 3n4k n ASN 99 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 3n4k n ASP 100 N -0.01 1.28 -4.61 6.41 8.00 -0.81 -4.57 116.55 122.24 3n4k n ASP 100 Ca 0.00 0.69 -0.35 0.00 0.71 0.00 0.00 54.79 55.84 3n4k n ASP 100 Cb 0.01 -1.51 -0.10 0.00 -0.02 0.00 0.00 41.12 39.50 3n4k n ASP 100 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3n4k s TYR 101 N -1.81 3.23 -0.26 1.24 2.02 -0.02 -0.95 117.35 120.80 3n4k s TYR 101 Ca 0.77 0.01 -0.01 0.00 -0.37 0.00 0.00 57.07 57.47 3n4k s TYR 101 Cb -0.33 -2.13 0.04 0.00 -0.40 0.00 0.00 41.96 39.14 3n4k s TYR 101 CO 0.47 0.06 -0.06 -0.51 -1.57 0.00 0.00 175.55 173.94 3n4k s LEU 102 N 0.66 3.32 -0.17 -1.29 1.43 0.62 -0.69 118.68 122.56 3n4k s LEU 102 Ca 0.04 -1.01 -0.06 0.00 -1.03 0.00 0.00 54.13 52.07 3n4k s LEU 102 Cb -0.13 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 3n4k s LEU 102 CO 0.02 -0.16 0.02 -0.22 0.23 0.00 0.00 176.35 176.23 3n4k s LEU 103 N 1.28 3.56 -0.06 1.79 2.96 0.31 -0.79 118.68 127.72 3n4k s LEU 103 Ca -0.02 -0.01 0.02 0.00 -0.22 0.00 0.00 54.13 53.90 3n4k s LEU 103 Cb -0.18 -1.88 0.01 0.00 0.50 0.00 0.00 46.19 44.65 3n4k s LEU 103 CO -0.04 0.18 -0.11 -0.36 -1.32 0.00 0.00 176.35 174.69 3n4k s PHE 104 N 0.34 1.33 0.56 5.38 0.08 -0.27 -1.12 117.98 124.27 3n4k s PHE 104 Ca -0.00 -0.45 0.02 0.00 0.12 0.00 0.00 56.93 56.62 3n4k s PHE 104 Cb -0.13 -0.97 0.11 0.00 -0.57 0.00 0.00 43.02 41.45 3n4k s PHE 104 CO 0.01 -0.23 0.77 0.41 -0.10 0.00 0.00 175.22 176.08 3n4k n GLY 105 N 3.70 1.02 3.69 4.36 0.00 -1.26 -0.83 105.19 115.88 3n4k n GLY 105 Ca -0.22 -2.07 -0.32 0.00 0.00 0.00 0.00 46.02 43.41 3n4k n GLY 105 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3n4k s PRO 106 N -4.48 1.43 0.24 1.61 0.02 -1.23 -4.71 135.00 127.88 3n4k s PRO 106 Ca 0.53 1.60 -0.05 0.00 0.02 0.00 0.00 61.00 63.09 3n4k s PRO 106 Cb -0.03 -1.77 0.37 0.00 0.02 0.00 0.00 34.50 33.09 3n4k s PRO 106 CO 0.35 -2.34 1.80 1.49 -0.33 0.00 0.00 177.00 177.97 3n4k h GLU 107 N -1.35 0.71 0.00 5.54 4.81 -1.94 -1.76 114.58 120.59 3n4k h GLU 107 Ca -0.44 -0.04 -0.34 0.00 -0.13 0.00 0.00 59.36 58.40 3n4k h GLU 107 Cb 1.28 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 30.45 3n4k h GLU 107 CO 0.45 0.47 -1.96 -2.37 -0.73 0.00 0.00 179.01 174.86 3n4k n THR 108 N -4.78 1.52 -0.13 0.32 5.66 -1.26 -4.62 114.28 111.00 3n4k n THR 108 Ca 0.12 -0.21 -0.09 0.00 -3.05 0.00 0.00 64.05 60.82 3n4k n THR 108 Cb 0.27 -1.98 0.05 0.00 -1.55 0.00 0.00 70.33 67.11 3n4k n THR 108 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 3n4k h ARG 109 N -1.00 0.90 0.00 1.09 3.08 -1.95 -3.49 114.38 113.01 3n4k h ARG 109 Ca -0.52 -0.36 0.00 0.00 0.07 0.00 0.00 59.98 59.17 3n4k h ARG 109 Cb 1.43 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.44 3n4k h ARG 109 CO -0.31 1.01 0.00 0.41 -1.07 0.00 0.00 179.97 180.01 3n4k n GLY 110 N -0.21 0.05 3.84 0.04 0.00 -0.66 -4.89 105.19 103.35 3n4k n GLY 110 Ca 0.00 -0.95 -0.32 0.00 0.00 0.00 0.00 46.02 44.75 3n4k n GLY 110 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3n4k s LEU 111 N 0.00 4.08 0.63 0.99 1.43 -1.26 -3.98 118.68 120.57 3n4k s LEU 111 Ca 0.00 0.18 -0.14 0.00 -1.03 0.00 0.00 54.13 53.14 3n4k s LEU 111 Cb 0.00 -2.55 -0.02 0.00 0.03 0.00 0.00 46.19 43.65 3n4k s LEU 111 CO 0.00 0.22 1.06 -2.16 0.23 0.00 0.00 176.35 175.70 3n4k s PRO 112 N -2.10 3.16 0.35 1.29 0.04 -1.26 -4.85 135.00 131.62 3n4k s PRO 112 Ca 0.28 1.12 0.03 0.00 0.04 0.00 0.00 61.00 62.47 3n4k s PRO 112 Cb -0.12 -2.01 0.66 0.00 0.04 0.00 0.00 34.50 33.06 3n4k s PRO 112 CO 0.20 -0.93 1.98 0.00 0.04 0.00 0.00 177.00 178.29 3n4k h ALA 113 N 0.01 1.61 -0.12 8.56 0.00 -1.98 -1.72 119.26 125.61 3n4k h ALA 113 Ca -0.46 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.46 3n4k h ALA 113 Cb 1.22 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 3n4k h ALA 113 CO 0.57 0.32 0.11 0.10 0.00 0.00 0.00 179.25 180.35 3n4k h TYR 114 N 0.84 0.00 0.00 0.00 -0.00 -2.00 0.34 116.97 116.16 3n4k h TYR 114 Ca 0.28 0.00 -0.07 0.00 0.00 0.00 0.00 58.73 58.94 3n4k h TYR 114 Cb 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.80 3n4k h TYR 114 CO -0.00 0.00 -0.40 0.82 -0.00 0.00 0.00 178.16 178.58 3n4k h ILE 115 N 0.00 1.42 -0.11 -0.90 2.04 -1.71 -3.38 117.51 114.86 3n4k h ILE 115 Ca 0.06 -2.21 -0.14 0.00 1.00 0.00 0.00 64.86 63.57 3n4k h ILE 115 Cb 0.28 2.83 -0.01 0.00 -0.74 0.00 0.00 36.82 39.18 3n4k h ILE 115 CO -0.00 0.48 -0.54 -0.07 0.00 0.00 0.00 178.15 178.02 3n4k h LEU 116 N -1.00 0.36 -1.99 1.44 3.38 -0.96 -2.91 115.31 113.62 3n4k h LEU 116 Ca -0.11 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 3n4k h LEU 116 Cb 1.04 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 3n4k h LEU 116 CO -0.07 0.83 -0.05 0.44 0.09 0.00 0.00 178.44 179.68 3n4k h ASP 117 N 0.25 0.00 0.81 -0.43 3.32 -1.15 -2.06 116.42 117.16 3n4k h ASP 117 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3n4k h ASP 117 Cb 1.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.58 3n4k h ASP 117 CO 0.09 0.05 0.00 0.00 -1.72 0.00 0.00 179.24 177.66 3n4k n ALA 118 N -2.48 2.22 -2.79 3.45 0.00 -1.10 -4.82 120.51 114.99 3n4k n ALA 118 Ca -0.03 -0.10 -0.35 0.00 0.00 0.00 0.00 53.44 52.97 3n4k n ALA 118 Cb 0.14 -1.42 -0.10 0.00 0.00 0.00 0.00 19.45 18.07 3n4k n ALA 118 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3n4k s LEU 119 N -2.91 3.65 0.78 0.00 1.43 -0.77 -4.14 118.68 116.72 3n4k s LEU 119 Ca 0.15 0.10 -0.11 0.00 -1.03 0.00 0.00 54.13 53.25 3n4k s LEU 119 Cb 0.17 -1.87 0.06 0.00 0.03 0.00 0.00 46.19 44.58 3n4k s LEU 119 CO 0.46 0.28 1.10 -2.16 0.23 0.00 0.00 176.35 176.26 3n4k s PRO 120 N -0.30 2.20 0.32 1.29 0.04 -1.26 -4.91 135.00 132.38 3n4k s PRO 120 Ca 0.07 1.20 0.08 0.00 0.04 0.00 0.00 61.00 62.40 3n4k s PRO 120 Cb -0.12 -1.89 0.82 0.00 0.04 0.00 0.00 34.50 33.35 3n4k s PRO 120 CO 0.02 -1.69 1.77 0.00 0.04 0.00 0.00 177.00 177.14 3n4k h ALA 121 N -1.13 1.78 0.00 8.56 0.00 -1.95 0.14 119.26 126.66 3n4k h ALA 121 Ca -0.44 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3n4k h ALA 121 Cb 1.23 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3n4k h ALA 121 CO 0.51 -0.17 0.00 1.04 0.00 0.00 0.00 179.25 180.63 3n4k n GLN 122 N -4.75 0.72 -0.16 0.00 1.13 -1.26 -2.14 117.38 110.92 3n4k n GLN 122 Ca 0.24 0.01 0.08 0.00 -1.94 0.00 0.00 57.00 55.39 3n4k n GLN 122 Cb 0.64 -1.50 0.16 0.00 0.11 0.00 0.00 30.24 29.65 3n4k n GLN 122 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 3n4k n GLN 123 N -1.08 2.25 -3.92 -1.09 6.02 0.03 -4.86 117.38 114.72 3n4k n GLN 123 Ca 0.18 -1.99 -0.34 0.00 -0.01 0.00 0.00 57.00 54.85 3n4k n GLN 123 Cb 0.13 -1.35 -0.14 0.00 1.02 0.00 0.00 30.24 29.90 3n4k n GLN 123 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3n4k s LYS 124 N -1.11 2.16 0.09 -1.09 1.02 -0.91 -0.88 119.74 119.01 3n4k s LYS 124 Ca 0.28 -1.50 0.01 0.00 0.02 0.00 0.00 55.97 54.78 3n4k s LYS 124 Cb 0.16 -3.22 -0.04 0.00 -0.52 0.00 0.00 37.83 34.20 3n4k s LYS 124 CO 0.21 -0.76 0.20 0.96 -0.92 0.00 0.00 175.35 175.05 3n4k s ILE 125 N 1.15 5.21 0.08 2.17 -4.36 -0.11 -1.21 121.20 124.13 3n4k s ILE 125 Ca -0.00 -0.54 0.07 0.00 -0.26 0.00 0.00 60.65 59.92 3n4k s ILE 125 Cb -0.20 -3.57 -0.03 0.00 1.25 0.00 0.00 42.46 39.90 3n4k s ILE 125 CO -0.03 0.08 -0.19 -0.60 0.24 0.00 0.00 174.94 174.43 3n4k s ARG 126 N -2.67 1.15 -0.20 0.37 3.52 -0.37 -1.23 118.95 119.51 3n4k s ARG 126 Ca 0.34 -1.04 -0.18 0.00 -0.13 0.00 0.00 55.73 54.72 3n4k s ARG 126 Cb -0.12 -1.32 -0.03 0.00 -1.56 0.00 0.00 34.95 31.92 3n4k s ARG 126 CO 0.27 0.32 0.51 0.42 -0.81 0.00 0.00 175.30 176.01 3n4k s ILE 127 N -1.04 5.11 0.56 4.11 1.01 -1.26 -1.37 121.20 128.31 3n4k s ILE 127 Ca 0.05 0.94 -0.21 0.00 0.00 0.00 0.00 60.65 61.43 3n4k s ILE 127 Cb -0.09 -3.84 -0.05 0.00 0.01 0.00 0.00 42.46 38.49 3n4k s ILE 127 CO 0.03 0.17 1.28 -2.65 0.00 0.00 0.00 174.94 173.77 3n4k n PRO 128 N 4.83 1.50 -3.82 2.79 -0.02 -1.26 -5.02 135.00 134.00 3n4k n PRO 128 Ca -0.05 0.56 -0.09 0.00 -2.02 0.00 0.00 63.50 61.90 3n4k n PRO 128 Cb 0.50 -2.48 -0.07 0.00 -0.02 0.00 0.00 33.50 31.43 3n4k n PRO 128 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3n4k s MET 129 N -2.87 0.87 0.82 -0.52 -1.94 -1.26 -5.16 119.30 109.24 3n4k s MET 129 Ca 0.73 -0.90 -0.10 0.00 -1.71 0.00 0.00 55.69 53.70 3n4k s MET 129 Cb -0.42 0.36 0.09 0.00 2.01 0.00 0.00 34.83 36.86 3n4k s MET 129 CO 0.48 -0.28 1.11 -0.65 -0.01 0.00 0.00 175.02 175.67 3n4k s GLN 130 N -3.77 1.84 0.40 2.03 -0.21 -1.26 -4.98 119.66 113.71 3n4k s GLN 130 Ca 0.04 1.26 -0.25 0.00 0.02 0.00 0.00 55.36 56.43 3n4k s GLN 130 Cb 0.04 -1.84 -0.11 0.00 1.00 0.00 0.00 33.01 32.10 3n4k s GLN 130 CO -0.11 -1.96 1.05 0.00 -2.12 0.00 0.00 175.29 172.15 3n4k n ALA 131 N -3.75 0.29 -2.18 6.09 0.00 -1.26 -2.82 120.51 116.87 3n4k n ALA 131 Ca 0.10 0.26 -0.12 0.00 0.00 0.00 0.00 53.44 53.68 3n4k n ALA 131 Cb 0.53 -2.10 -0.01 0.00 0.00 0.00 0.00 19.45 17.87 3n4k n ALA 131 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3n4k n ASP 132 N 0.61 -3.87 -4.84 0.00 2.03 -1.26 -5.00 116.55 104.22 3n4k n ASP 132 Ca 0.09 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.10 3n4k n ASP 132 Cb 0.38 -3.05 0.05 0.00 -0.72 0.00 0.00 41.12 37.78 3n4k n ASP 132 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3n4k s SER 133 N -2.48 5.37 0.42 1.67 1.04 -1.13 -5.09 113.70 113.50 3n4k s SER 133 Ca 0.00 1.42 0.07 0.00 0.48 0.00 0.00 55.95 57.92 3n4k s SER 133 Cb 0.00 -2.29 -0.06 0.00 0.10 0.00 0.00 66.02 63.77 3n4k s SER 133 CO 0.00 -1.42 0.12 -0.13 0.98 0.00 0.00 173.24 172.78 3n4k s ARG 134 N -5.15 2.13 0.24 4.02 0.52 -1.26 -5.08 118.95 114.36 3n4k s ARG 134 Ca 0.58 -1.96 -0.31 0.00 -0.52 0.00 0.00 55.73 53.52 3n4k s ARG 134 Cb -0.13 -1.85 -0.12 0.00 0.52 0.00 0.00 34.95 33.37 3n4k s ARG 134 CO 0.54 -0.11 1.67 -1.13 0.02 0.00 0.00 175.30 176.30 3n4k n SER 135 N -1.15 3.92 -4.78 0.23 3.41 -1.26 -4.98 113.62 109.01 3n4k n SER 135 Ca -0.03 1.09 -0.37 0.00 -0.26 0.00 0.00 58.87 59.30 3n4k n SER 135 Cb 0.65 -1.58 -0.05 0.00 -0.26 0.00 0.00 64.21 62.98 3n4k n SER 135 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 3n4k s MET 136 N 0.56 4.29 0.34 4.33 1.75 -1.26 -5.01 119.30 124.31 3n4k s MET 136 Ca 0.71 1.49 -0.29 0.00 -1.25 0.00 0.00 55.69 56.35 3n4k s MET 136 Cb -0.51 -2.63 -0.12 0.00 2.84 0.00 0.00 34.83 34.41 3n4k s MET 136 CO 0.38 -0.03 1.46 -1.71 -0.65 0.00 0.00 175.02 174.48 3n4k n ASN 137 N 0.14 3.51 -0.14 1.11 2.85 -1.26 -4.85 115.26 116.62 3n4k n ASN 137 Ca 0.04 1.20 -0.10 0.00 -0.11 0.00 0.00 54.58 55.61 3n4k n ASN 137 Cb 0.49 -1.57 -0.01 0.00 1.24 0.00 0.00 39.78 39.93 3n4k n ASN 137 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 3n4k h LEU 138 N 3.31 0.68 -1.07 1.20 5.85 -1.95 -1.52 115.31 121.81 3n4k h LEU 138 Ca -0.49 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 57.94 3n4k h LEU 138 Cb 1.25 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 42.06 3n4k h LEU 138 CO 0.67 0.80 0.43 0.77 -0.34 0.00 0.00 178.44 180.77 3n4k h SER 139 N 0.55 0.96 -0.43 1.25 4.64 -1.90 -0.63 113.55 117.98 3n4k h SER 139 Ca 0.12 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3n4k h SER 139 Cb 0.42 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 3n4k h SER 139 CO 0.01 0.77 0.27 0.78 -0.87 0.00 0.00 176.83 177.80 3n4k h ASN 140 N 1.09 0.51 -0.37 4.97 -0.26 -1.82 0.20 115.58 119.90 3n4k h ASN 140 Ca 0.28 -0.03 0.02 0.00 -0.56 0.00 0.00 56.30 56.01 3n4k h ASN 140 Cb 0.01 -0.13 -0.03 0.00 -1.06 0.00 0.00 38.32 37.12 3n4k h ASN 140 CO -0.05 0.39 0.19 0.00 -1.06 0.00 0.00 177.43 176.90 3n4k h ALA 141 N 1.14 0.46 -0.73 -0.83 0.00 -0.89 -1.41 119.26 116.99 3n4k h ALA 141 Ca 0.16 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3n4k h ALA 141 Cb -0.04 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3n4k h ALA 141 CO -0.03 -0.17 0.41 0.28 0.00 0.00 0.00 179.25 179.74 3n4k h VAL 142 N 0.39 1.22 -0.54 0.00 2.07 -0.92 -1.90 116.25 116.57 3n4k h VAL 142 Ca 0.15 -0.54 0.04 0.00 0.82 0.00 0.00 66.70 67.17 3n4k h VAL 142 Cb 0.05 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.02 3n4k h VAL 142 CO -0.10 0.24 0.30 0.28 0.02 0.00 0.00 177.57 178.31 3n4k h SER 143 N 1.01 0.46 -0.34 0.57 0.02 -0.63 0.12 113.55 114.77 3n4k h SER 143 Ca 0.26 0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.25 3n4k h SER 143 Cb 0.02 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 3n4k h SER 143 CO -0.04 0.32 0.15 0.58 -1.14 0.00 0.00 176.83 176.70 3n4k h VAL 144 N 0.59 0.96 -0.13 2.27 2.07 -0.87 -0.70 116.25 120.44 3n4k h VAL 144 Ca 0.23 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.59 3n4k h VAL 144 Cb 0.08 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3n4k h VAL 144 CO -0.13 0.06 -0.09 0.58 0.02 0.00 0.00 177.57 178.01 3n4k h VAL 145 N 0.32 1.33 -0.30 2.57 2.07 -1.03 -2.09 116.25 119.12 3n4k h VAL 145 Ca 0.14 -1.18 0.05 0.00 0.82 0.00 0.00 66.70 66.53 3n4k h VAL 145 Cb 0.07 1.84 -0.05 0.00 -1.52 0.00 0.00 31.29 31.63 3n4k h VAL 145 CO -0.11 0.34 0.01 0.58 0.02 0.00 0.00 177.57 178.41 3n4k h VAL 146 N -0.07 0.79 -0.08 2.57 2.07 -0.72 -1.52 116.25 119.29 3n4k h VAL 146 Ca 0.03 -0.04 -0.09 0.00 0.82 0.00 0.00 66.70 67.42 3n4k h VAL 146 Cb 0.58 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 3n4k h VAL 146 CO 0.02 0.02 -0.35 1.88 0.02 0.00 0.00 177.57 179.16 3n4k h TYR 147 N 0.10 0.18 -0.27 1.57 -1.99 -1.09 0.19 116.97 115.67 3n4k h TYR 147 Ca 0.15 -0.04 -0.04 0.00 2.00 0.00 0.00 58.73 60.79 3n4k h TYR 147 Cb 0.19 -0.04 -0.01 0.00 2.00 0.00 0.00 36.73 38.87 3n4k h TYR 147 CO -0.22 0.50 -0.00 1.49 -0.00 0.00 0.00 178.16 179.93 3n4k h GLU 148 N 0.14 0.48 -0.26 4.88 4.57 -1.17 0.97 114.58 124.20 3n4k h GLU 148 Ca 0.02 -0.15 -0.04 0.00 -1.18 0.00 0.00 59.36 58.01 3n4k h GLU 148 Cb 0.69 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.23 3n4k h GLU 148 CO 0.05 0.64 0.01 0.00 -1.18 0.00 0.00 179.01 178.54 3n4k h ALA 149 N 0.82 0.34 -0.50 2.92 0.00 -1.06 -1.60 119.26 120.19 3n4k h ALA 149 Ca 0.08 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 3n4k h ALA 149 Cb 0.43 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3n4k h ALA 149 CO 0.01 0.06 0.06 2.35 0.00 0.00 0.00 179.25 181.73 3n4k h TRP 150 N 0.23 0.83 -0.24 0.00 7.01 -0.60 -1.84 115.95 121.35 3n4k h TRP 150 Ca 0.07 -0.10 0.03 0.00 2.11 0.00 0.00 58.89 61.01 3n4k h TRP 150 Cb 0.39 -0.24 -0.03 0.00 -2.10 0.00 0.00 29.16 27.19 3n4k h TRP 150 CO 0.03 0.74 0.05 -0.09 -2.79 0.00 0.00 178.44 176.38 3n4k h ARG 151 N 0.75 0.14 -0.75 2.65 2.43 -0.62 -0.58 114.38 118.41 3n4k h ARG 151 Ca 0.16 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.39 3n4k h ARG 151 Cb 0.38 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.85 3n4k h ARG 151 CO 0.01 0.09 0.49 1.96 -1.51 0.00 0.00 179.97 181.01 3n4k h GLN 152 N 0.14 0.76 0.00 0.20 4.20 -0.71 -0.66 115.11 119.04 3n4k h GLN 152 Ca 0.11 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.77 3n4k h GLN 152 Cb 0.10 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.71 3n4k h GLN 152 CO -0.14 0.50 0.00 1.28 -0.67 0.00 0.00 178.83 179.80 3n4k n LEU 153 N -4.48 0.03 0.00 1.46 4.77 -0.75 -4.90 117.00 113.13 3n4k n LEU 153 Ca 0.11 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.60 3n4k n LEU 153 Cb 0.23 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 3n4k n LEU 153 CO 0.33 -0.18 0.00 0.61 -1.33 0.00 0.00 177.39 176.83 3n4k n GLY 154 N 0.50 1.01 4.04 -0.72 0.00 -0.25 -4.33 105.19 105.44 3n4k n GLY 154 Ca 0.05 -0.41 -0.27 0.00 0.00 0.00 0.00 46.02 45.38 3n4k n GLY 154 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3n4k n TYR 155 N -2.32 -1.59 -1.78 1.61 4.01 -0.26 -4.88 117.16 111.95 3n4k n TYR 155 Ca 0.00 0.73 -0.41 0.00 -0.16 0.00 0.00 57.90 58.06 3n4k n TYR 155 Cb 0.09 -3.51 -0.01 0.00 -0.31 0.00 0.00 39.34 35.60 3n4k n TYR 155 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3n4k s PRO 156 N -6.73 4.11 0.00 -0.72 0.04 -1.26 -1.90 135.00 128.54 3n4k s PRO 156 Ca 0.08 2.59 0.00 0.00 0.04 0.00 0.00 61.00 63.71 3n4k s PRO 156 Cb -0.04 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.50 3n4k s PRO 156 CO 0.91 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 177.76 3n4k n GLY 157 N 1.36 1.68 3.77 0.56 0.00 -1.26 -4.98 105.19 106.31 3n4k n GLY 157 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 3n4k n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n4k s ALA 158 N -2.38 3.17 -1.96 4.61 0.00 -0.80 -5.06 121.76 119.34 3n4k s ALA 158 Ca 0.00 0.95 0.00 0.00 0.00 0.00 0.00 51.96 52.91 3n4k s ALA 158 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.75 3n4k s ALA 158 CO 0.00 -0.50 0.49 -0.11 0.00 0.00 0.00 175.76 175.64