#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k31 s MET 1 N 0.00 4.32 0.09 4.33 1.00 -1.26 -4.90 119.30 122.88 3k31 s MET 1 Ca 0.00 1.75 -0.30 0.00 0.00 0.00 0.00 55.69 57.14 3k31 s MET 1 Cb 0.00 -3.58 -0.06 0.00 0.00 0.00 0.00 34.83 31.19 3k31 s MET 1 CO 0.00 -0.51 1.13 0.50 0.00 0.00 0.00 175.02 176.14 3k31 s ARG 2 N 2.40 4.51 0.00 2.03 3.00 -1.26 -4.78 118.95 124.85 3k31 s ARG 2 Ca 0.58 1.69 0.03 0.00 -1.00 0.00 0.00 55.73 57.03 3k31 s ARG 2 Cb -0.26 -3.34 -0.01 0.00 0.00 0.00 0.00 34.95 31.34 3k31 s ARG 2 CO 0.22 -0.10 0.33 0.25 0.00 0.00 0.00 175.30 176.01 3k31 n THR 3 N 3.35 0.00 -3.69 4.11 -2.24 0.96 -5.02 114.28 111.75 3k31 n THR 3 Ca 0.06 -0.46 -0.05 0.00 -2.27 0.00 0.00 64.05 61.34 3k31 n THR 3 Cb 0.47 1.03 0.02 0.00 -2.10 0.00 0.00 70.33 69.75 3k31 n THR 3 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k31 n GLY 4 N 0.68 1.01 0.25 3.38 0.00 -0.97 -5.02 105.19 104.52 3k31 n GLY 4 Ca 0.01 -1.15 0.06 0.00 0.00 0.00 0.00 46.02 44.95 3k31 n GLY 4 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3k31 n MET 5 N -0.47 0.81 0.16 1.61 0.00 -1.25 -3.83 117.12 114.14 3k31 n MET 5 Ca -0.04 -2.01 0.05 0.00 0.00 0.00 0.00 57.70 55.70 3k31 n MET 5 Cb 0.44 -1.12 0.51 0.00 0.00 0.00 0.00 33.22 33.05 3k31 n MET 5 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 3k31 h LEU 6 N 0.03 0.17 -3.11 4.03 5.85 -1.91 -2.46 115.31 117.91 3k31 h LEU 6 Ca -0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3k31 h LEU 6 Cb 1.16 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.14 3k31 h LEU 6 CO 0.00 0.19 0.00 0.23 -0.34 0.00 0.00 178.44 178.52 3k31 n MET 7 N -4.44 3.14 -1.67 1.25 2.81 -0.02 -4.62 117.12 113.58 3k31 n MET 7 Ca -0.01 -2.58 -0.46 0.00 -1.81 0.00 0.00 57.70 52.85 3k31 n MET 7 Cb 0.14 -1.66 -0.04 0.00 -0.71 0.00 0.00 33.22 30.95 3k31 n MET 7 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 3k31 n GLU 8 N 0.25 2.21 -0.82 0.03 4.07 -0.93 -1.64 120.64 123.81 3k31 n GLU 8 Ca 0.19 0.80 0.00 0.00 -0.06 0.00 0.00 57.16 58.09 3k31 n GLU 8 Cb 0.73 -2.59 0.00 0.00 -0.06 0.00 0.00 31.44 29.52 3k31 n GLU 8 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3k31 n GLY 9 N 3.60 0.85 3.80 8.31 0.00 -1.26 -4.99 105.19 115.49 3k31 n GLY 9 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 3k31 n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k31 s LYS 10 N -0.18 3.91 -0.07 1.61 1.02 -0.65 -5.00 119.74 120.38 3k31 s LYS 10 Ca 0.00 -0.00 0.04 0.00 0.02 0.00 0.00 55.97 56.02 3k31 s LYS 10 Cb 0.00 -3.31 -0.02 0.00 -0.52 0.00 0.00 37.83 33.98 3k31 s LYS 10 CO 0.00 0.50 -0.18 0.15 -0.92 0.00 0.00 175.35 174.90 3k31 s LYS 11 N -0.30 2.70 0.24 1.68 1.02 -1.26 -1.07 119.74 122.75 3k31 s LYS 11 Ca 0.15 -0.78 -0.22 0.00 0.02 0.00 0.00 55.97 55.15 3k31 s LYS 11 Cb -0.13 -2.35 0.04 0.00 -0.52 0.00 0.00 37.83 34.87 3k31 s LYS 11 CO 0.04 0.45 0.72 0.20 -0.92 0.00 0.00 175.35 175.84 3k31 s GLY 12 N -0.29 -0.22 -0.09 -3.33 0.00 -0.41 -0.02 107.32 102.96 3k31 s GLY 12 Ca 0.01 -0.07 0.02 0.00 0.00 0.00 0.00 44.72 44.69 3k31 s GLY 12 CO 0.03 -0.02 -0.15 0.54 0.00 0.00 0.00 173.10 173.50 3k31 s VAL 13 N -3.80 2.95 -0.20 1.40 0.11 -0.94 -1.14 120.40 118.78 3k31 s VAL 13 Ca 0.09 -0.73 -0.02 0.00 -2.93 0.00 0.00 61.98 58.39 3k31 s VAL 13 Cb -0.04 -2.18 0.00 0.00 -1.53 0.00 0.00 36.38 32.62 3k31 s VAL 13 CO 0.02 0.56 -0.11 -0.63 -3.33 0.00 0.00 175.10 171.61 3k31 s ILE 14 N -0.19 2.85 -0.29 7.04 1.01 -0.52 -0.96 121.20 130.13 3k31 s ILE 14 Ca -0.00 -0.67 -0.07 0.00 0.00 0.00 0.00 60.65 59.90 3k31 s ILE 14 Cb -0.13 -2.26 0.00 0.00 0.01 0.00 0.00 42.46 40.08 3k31 s ILE 14 CO 0.03 0.47 0.09 -0.63 0.00 0.00 0.00 174.94 174.91 3k31 s ILE 15 N 1.34 4.12 0.00 2.92 1.01 -0.16 -2.59 121.20 127.83 3k31 s ILE 15 Ca 0.04 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.12 3k31 s ILE 15 Cb -0.14 -3.09 0.00 0.00 0.01 0.00 0.00 42.46 39.24 3k31 s ILE 15 CO -0.06 0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.60 3k31 n GLY 16 N 4.90 1.22 3.50 6.18 0.00 -1.26 -1.11 105.19 118.62 3k31 n GLY 16 Ca -0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 3k31 n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k31 s VAL 17 N -1.75 4.49 -0.26 1.61 1.01 -1.26 -4.73 120.40 119.52 3k31 s VAL 17 Ca 0.00 0.09 0.06 0.00 0.00 0.00 0.00 61.98 62.12 3k31 s VAL 17 Cb 0.00 -4.49 -0.07 0.00 0.00 0.00 0.00 36.38 31.82 3k31 s VAL 17 CO 0.00 -1.06 0.24 0.00 0.00 0.00 0.00 175.10 174.28 3k31 n ALA 18 N 7.18 2.74 -3.82 5.51 0.00 -1.26 -4.90 120.51 125.96 3k31 n ALA 18 Ca -0.00 -0.16 -0.08 0.00 0.00 0.00 0.00 53.44 53.20 3k31 n ALA 18 Cb 0.47 -0.21 0.02 0.00 0.00 0.00 0.00 19.45 19.72 3k31 n ALA 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3k31 s ASN 19 N -1.62 -0.03 -0.19 0.00 2.20 -1.26 -4.83 114.94 109.21 3k31 s ASN 19 Ca 0.02 -0.99 0.10 0.00 -0.94 0.00 0.00 52.86 51.05 3k31 s ASN 19 Cb 0.04 0.77 0.60 0.00 -2.00 0.00 0.00 41.25 40.67 3k31 s ASN 19 CO 0.24 -1.52 1.46 -0.90 -2.94 0.00 0.00 177.10 173.44 3k31 n ASP 20 N -1.25 4.46 -0.08 3.54 5.68 -1.26 -4.05 116.55 123.59 3k31 n ASP 20 Ca -0.07 -2.74 0.02 0.00 -0.50 0.00 0.00 54.79 51.50 3k31 n ASP 20 Cb 0.60 -0.65 -0.01 0.00 -1.14 0.00 0.00 41.12 39.92 3k31 n ASP 20 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3k31 n LYS 21 N 0.36 3.17 -3.00 0.11 4.76 -1.26 -4.92 118.16 117.37 3k31 n LYS 21 Ca 0.23 -0.32 -0.25 0.00 -2.87 0.00 0.00 58.31 55.10 3k31 n LYS 21 Cb 1.00 -0.87 0.00 0.00 -1.84 0.00 0.00 35.03 33.32 3k31 n LYS 21 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3k31 s SER 22 N -1.03 6.09 0.24 4.39 1.04 -1.26 -4.69 113.70 118.50 3k31 s SER 22 Ca 0.03 0.53 -0.05 0.00 0.48 0.00 0.00 55.95 56.95 3k31 s SER 22 Cb 0.04 -1.91 0.37 0.00 0.10 0.00 0.00 66.02 64.62 3k31 s SER 22 CO 0.14 -0.55 1.83 -0.07 0.98 0.00 0.00 173.24 175.57 3k31 h LEU 23 N 0.45 0.77 -1.11 2.42 3.38 -1.95 -1.63 115.31 117.64 3k31 h LEU 23 Ca -0.48 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 3k31 h LEU 23 Cb 1.23 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 3k31 h LEU 23 CO 0.60 0.47 0.52 0.00 0.09 0.00 0.00 178.44 180.12 3k31 h ALA 24 N 1.43 1.34 -0.55 1.53 0.00 -1.92 -0.69 119.26 120.39 3k31 h ALA 24 Ca 0.39 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 3k31 h ALA 24 Cb 0.27 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3k31 h ALA 24 CO -0.21 0.58 0.21 2.35 0.00 0.00 0.00 179.25 182.18 3k31 h TRP 25 N 1.15 0.85 -0.89 0.00 2.91 -1.65 -0.57 115.95 117.74 3k31 h TRP 25 Ca 0.30 -0.07 0.07 0.00 1.13 0.00 0.00 58.89 60.32 3k31 h TRP 25 Cb -0.07 -0.25 -0.06 0.00 -0.51 0.00 0.00 29.16 28.26 3k31 h TRP 25 CO 0.00 0.71 0.56 0.78 -1.03 0.00 0.00 178.44 179.46 3k31 h GLY 26 N 0.76 1.36 0.84 2.65 0.00 -0.52 0.54 103.07 108.70 3k31 h GLY 26 Ca 0.18 -0.40 -0.05 0.00 0.00 0.00 0.00 47.33 47.06 3k31 h GLY 26 CO -0.01 0.27 -0.03 -2.22 0.00 0.00 0.00 176.54 174.55 3k31 h ILE 27 N 1.01 1.27 -0.27 2.60 2.04 -0.91 -1.68 117.51 121.56 3k31 h ILE 27 Ca 0.39 -0.97 0.01 0.00 1.00 0.00 0.00 64.86 65.29 3k31 h ILE 27 Cb 0.19 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 3k31 h ILE 27 CO -0.18 0.30 0.16 0.00 0.00 0.00 0.00 178.15 178.44 3k31 h ALA 28 N 0.78 0.34 -0.63 1.87 0.00 -0.64 -1.09 119.26 119.90 3k31 h ALA 28 Ca 0.07 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.01 3k31 h ALA 28 Cb 0.46 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 3k31 h ALA 28 CO 0.02 -0.21 0.36 -0.22 0.00 0.00 0.00 179.25 179.20 3k31 h LYS 29 N 0.34 0.68 -0.19 0.00 3.64 -0.88 -0.46 116.57 119.70 3k31 h LYS 29 Ca 0.10 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3k31 h LYS 29 Cb -0.01 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 3k31 h LYS 29 CO -0.04 0.45 0.04 0.00 -2.27 0.00 0.00 179.45 177.62 3k31 h ALA 30 N 1.30 0.25 -0.28 5.00 0.00 -0.81 -1.22 119.26 123.50 3k31 h ALA 30 Ca 0.26 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 3k31 h ALA 30 Cb 0.09 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3k31 h ALA 30 CO -0.14 -0.10 -0.47 -0.39 0.00 0.00 0.00 179.25 178.16 3k31 h VAL 31 N 0.10 1.29 -0.61 0.00 -1.51 -1.14 -2.83 116.25 111.56 3k31 h VAL 31 Ca 0.06 -1.66 -0.08 0.00 -1.23 0.00 0.00 66.70 63.78 3k31 h VAL 31 Cb 0.29 1.58 -0.02 0.00 -2.13 0.00 0.00 31.29 31.01 3k31 h VAL 31 CO 0.00 0.54 0.04 0.00 -1.23 0.00 0.00 177.57 176.92 3k31 h ALA 33 N 1.09 1.00 -0.59 0.00 0.00 -1.13 -1.74 119.26 117.88 3k31 h ALA 33 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3k31 h ALA 33 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3k31 h ALA 33 CO 0.02 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.31 3k31 n GLN 34 N -2.95 3.78 -0.32 0.00 1.13 -0.87 -0.02 117.38 118.12 3k31 n GLN 34 Ca -0.01 -2.88 0.00 0.00 -1.94 0.00 0.00 57.00 52.18 3k31 n GLN 34 Cb 0.20 -1.90 0.00 0.00 0.11 0.00 0.00 30.24 28.65 3k31 n GLN 34 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3k31 n GLY 35 N 0.89 0.77 3.76 1.08 0.00 -0.65 -0.84 105.19 110.20 3k31 n GLY 35 Ca 0.25 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.91 3k31 n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k31 s ALA 36 N -2.25 2.58 -0.32 4.61 0.00 -0.73 -4.16 121.76 121.50 3k31 s ALA 36 Ca 0.00 1.00 -0.13 0.00 0.00 0.00 0.00 51.96 52.84 3k31 s ALA 36 Cb 0.00 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 3k31 s ALA 36 CO 0.00 -1.12 0.25 -2.00 0.00 0.00 0.00 175.76 172.89 3k31 s GLU 37 N -3.29 3.67 0.01 0.00 2.12 -0.23 -4.60 118.70 116.37 3k31 s GLU 37 Ca 0.76 -0.48 0.08 0.00 0.36 0.00 0.00 54.97 55.69 3k31 s GLU 37 Cb -0.30 -3.76 -0.03 0.00 0.26 0.00 0.00 34.13 30.31 3k31 s GLU 37 CO 0.33 -0.37 -0.24 0.08 -0.54 0.00 0.00 175.26 174.52 3k31 s VAL 38 N 1.79 2.26 -0.12 3.70 1.01 -1.26 -1.29 120.40 126.49 3k31 s VAL 38 Ca 0.08 -1.19 -0.02 0.00 0.00 0.00 0.00 61.98 60.84 3k31 s VAL 38 Cb -0.17 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 3k31 s VAL 38 CO 0.11 0.47 -0.06 0.00 0.00 0.00 0.00 175.10 175.62 3k31 s ALA 39 N -0.73 2.95 -0.10 5.51 0.00 -0.29 -4.37 121.76 124.74 3k31 s ALA 39 Ca 0.11 -0.85 -0.01 0.00 0.00 0.00 0.00 51.96 51.21 3k31 s ALA 39 Cb -0.10 -1.41 -0.03 0.00 0.00 0.00 0.00 23.12 21.58 3k31 s ALA 39 CO 0.01 0.34 -0.04 -0.51 0.00 0.00 0.00 175.76 175.57 3k31 s LEU 40 N -0.04 3.33 0.37 0.00 1.43 -0.89 -1.44 118.68 121.44 3k31 s LEU 40 Ca 0.00 0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.12 3k31 s LEU 40 Cb -0.13 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 3k31 s LEU 40 CO 0.03 0.32 0.58 0.42 0.23 0.00 0.00 176.35 177.93 3k31 s THR 41 N -0.54 4.83 0.05 5.49 -4.23 -1.07 -1.59 115.64 118.58 3k31 s THR 41 Ca 0.08 -0.47 0.00 0.00 -1.18 0.00 0.00 61.69 60.12 3k31 s THR 41 Cb -0.12 -3.77 -0.03 0.00 1.34 0.00 0.00 72.50 69.92 3k31 s THR 41 CO 0.02 -0.51 -0.04 -0.72 -0.54 0.00 0.00 174.62 172.83 3k31 s TYR 42 N -2.37 0.52 0.10 3.99 -0.85 -0.63 -4.56 117.35 113.54 3k31 s TYR 42 Ca 0.42 -0.82 -0.15 0.00 -0.52 0.00 0.00 57.07 56.00 3k31 s TYR 42 Cb -0.10 -0.35 -0.08 0.00 0.38 0.00 0.00 41.96 41.81 3k31 s TYR 42 CO 0.36 -0.25 1.44 1.25 -1.52 0.00 0.00 175.55 176.83 3k31 h LEU 43 N 3.71 0.73 -7.90 -3.49 5.85 -1.89 0.73 115.31 113.05 3k31 h LEU 43 Ca -0.34 -0.45 0.10 0.00 0.84 0.00 0.00 57.88 58.03 3k31 h LEU 43 Cb 1.17 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.94 3k31 h LEU 43 CO 0.56 1.03 0.32 -0.94 -0.34 0.00 0.00 178.44 179.07 3k31 s SER 44 N -6.50 -0.20 0.44 1.25 1.04 -1.26 -3.85 113.70 104.62 3k31 s SER 44 Ca -0.12 -0.60 0.22 0.00 0.48 0.00 0.00 55.95 55.92 3k31 s SER 44 Cb 0.09 0.66 1.20 0.00 0.10 0.00 0.00 66.02 68.07 3k31 s SER 44 CO 0.82 -1.24 1.81 1.05 0.98 0.00 0.00 173.24 176.67 3k31 h GLU 45 N 2.00 0.30 -0.90 4.02 9.09 -2.02 0.20 114.58 127.26 3k31 h GLU 45 Ca -0.22 -0.02 0.21 0.00 0.05 0.00 0.00 59.36 59.39 3k31 h GLU 45 Cb 1.24 -0.07 -0.06 0.00 -1.65 0.00 0.00 28.75 28.21 3k31 h GLU 45 CO 0.26 0.20 0.60 1.15 0.05 0.00 0.00 179.01 181.27 3k31 h THR 46 N 0.30 0.65 -0.17 -1.06 2.02 -2.00 -3.03 112.91 109.62 3k31 h THR 46 Ca 0.54 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.60 3k31 h THR 46 Cb 1.53 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 3k31 h THR 46 CO -0.19 0.06 0.00 0.49 0.37 0.00 0.00 175.52 176.25 3k31 n PHE 47 N -4.48 0.21 -0.24 3.16 3.72 0.70 -4.44 117.46 116.09 3k31 n PHE 47 Ca 0.19 -0.14 -0.03 0.00 -0.05 0.00 0.00 57.45 57.42 3k31 n PHE 47 Cb 0.75 -0.00 0.16 0.00 -0.94 0.00 0.00 39.48 39.44 3k31 n PHE 47 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3k31 h LYS 48 N 3.38 1.07 -0.96 -1.08 3.64 -1.50 -2.28 116.57 118.83 3k31 h LYS 48 Ca 0.00 -0.14 0.11 0.00 -1.27 0.00 0.00 60.65 59.35 3k31 h LYS 48 Cb 0.77 -0.20 -0.08 0.00 -0.41 0.00 0.00 32.23 32.31 3k31 h LYS 48 CO 0.00 0.81 0.59 0.87 -2.27 0.00 0.00 179.45 179.45 3k31 h LYS 49 N 1.06 0.92 -0.28 1.90 1.57 -1.80 -1.49 116.57 118.46 3k31 h LYS 49 Ca 0.26 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.86 3k31 h LYS 49 Cb 0.09 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 3k31 h LYS 49 CO -0.04 0.61 -0.34 0.07 -0.57 0.00 0.00 179.45 179.18 3k31 h ARG 50 N 0.95 0.61 0.00 3.15 0.11 -1.71 -3.30 114.38 114.18 3k31 h ARG 50 Ca 0.47 -0.28 -0.18 0.00 0.10 0.00 0.00 59.98 60.09 3k31 h ARG 50 Cb 0.46 -0.01 -0.03 0.00 1.11 0.00 0.00 29.97 31.50 3k31 h ARG 50 CO -0.26 0.86 -1.15 -0.24 0.10 0.00 0.00 179.97 179.28 3k31 h VAL 51 N 0.51 0.88 -0.33 0.08 3.04 -1.29 -3.38 116.25 115.78 3k31 h VAL 51 Ca 0.06 -2.45 0.06 0.00 -1.01 0.00 0.00 66.70 63.36 3k31 h VAL 51 Cb 0.83 2.36 -0.08 0.00 -2.01 0.00 0.00 31.29 32.38 3k31 h VAL 51 CO 0.07 0.50 -0.41 0.44 -1.01 0.00 0.00 177.57 177.16 3k31 h ASP 52 N 0.00 -1.34 0.20 3.17 3.32 -1.36 -0.16 116.42 120.25 3k31 h ASP 52 Ca -0.11 0.20 -0.08 0.00 0.02 0.00 0.00 57.03 57.06 3k31 h ASP 52 Cb 1.64 0.58 -0.01 0.00 0.22 0.00 0.00 39.33 41.76 3k31 h ASP 52 CO 0.07 -0.38 -0.30 1.55 -1.72 0.00 0.00 179.24 178.47 3k31 h PRO 53 N -0.36 0.17 -0.21 3.56 0.13 -1.75 -1.12 132.00 132.42 3k31 h PRO 53 Ca 0.12 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 65.19 3k31 h PRO 53 Cb 0.59 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 3k31 h PRO 53 CO -0.52 0.46 0.10 -0.07 -0.23 0.00 0.00 178.00 177.74 3k31 h LEU 54 N 0.15 0.27 -0.50 1.56 3.38 -1.57 -2.15 115.31 116.45 3k31 h LEU 54 Ca 0.02 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3k31 h LEU 54 Cb 0.61 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 3k31 h LEU 54 CO 0.04 0.32 0.27 0.00 0.09 0.00 0.00 178.44 179.16 3k31 h ALA 55 N 0.97 0.64 -0.86 1.53 0.00 -0.85 -2.27 119.26 118.43 3k31 h ALA 55 Ca 0.07 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.90 3k31 h ALA 55 Cb 0.12 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 3k31 h ALA 55 CO -0.01 0.17 0.56 1.05 0.00 0.00 0.00 179.25 181.02 3k31 h GLU 56 N 0.67 1.09 0.00 0.00 9.09 -1.12 0.63 114.58 124.93 3k31 h GLU 56 Ca 0.18 -0.07 -0.10 0.00 0.05 0.00 0.00 59.36 59.42 3k31 h GLU 56 Cb 0.06 -0.25 -0.01 0.00 -1.65 0.00 0.00 28.75 26.90 3k31 h GLU 56 CO -0.03 0.72 -0.47 0.66 0.05 0.00 0.00 179.01 179.94 3k31 h SER 57 N 1.13 0.00 1.41 3.06 4.64 -1.05 -2.50 113.55 120.24 3k31 h SER 57 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 3k31 h SER 57 Cb -0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 3k31 h SER 57 CO -0.09 0.47 -0.06 0.18 -0.87 0.00 0.00 176.83 176.47 3k31 n LEU 58 N -3.67 0.78 0.00 5.97 4.77 -0.88 -3.81 117.00 120.16 3k31 n LEU 58 Ca -0.01 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 3k31 n LEU 58 Cb 0.55 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 3k31 n LEU 58 CO 0.39 -0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 3k31 n GLY 59 N 1.32 0.60 3.71 -0.72 0.00 -0.51 -4.93 105.19 104.66 3k31 n GLY 59 Ca 0.05 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 3k31 n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k31 s VAL 60 N -2.00 4.25 -0.51 1.61 1.01 0.10 -4.94 120.40 119.91 3k31 s VAL 60 Ca 0.00 1.61 0.15 0.00 0.00 0.00 0.00 61.98 63.74 3k31 s VAL 60 Cb 0.00 -4.03 -0.18 0.00 0.00 0.00 0.00 36.38 32.17 3k31 s VAL 60 CO 0.00 0.11 0.55 2.29 0.00 0.00 0.00 175.10 178.05 3k31 n LYS 61 N 4.07 1.70 -4.07 2.72 0.00 -1.26 -4.34 118.16 116.98 3k31 n LYS 61 Ca 0.08 -0.04 -0.32 0.00 -0.00 0.00 0.00 58.31 58.04 3k31 n LYS 61 Cb 0.47 -1.24 -0.16 0.00 -0.00 0.00 0.00 35.03 34.11 3k31 n LYS 61 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 3k31 s LEU 62 N -3.06 2.33 0.07 -5.58 2.96 -1.26 -5.10 118.68 109.04 3k31 s LEU 62 Ca 0.03 -0.81 0.09 0.00 -0.22 0.00 0.00 54.13 53.21 3k31 s LEU 62 Cb 0.11 -1.39 -0.03 0.00 0.50 0.00 0.00 46.19 45.38 3k31 s LEU 62 CO 0.61 -0.08 -0.23 0.42 -1.32 0.00 0.00 176.35 175.75 3k31 s THR 63 N 1.31 1.90 -0.07 3.68 -4.23 -1.26 -2.10 115.64 114.88 3k31 s THR 63 Ca 0.01 -1.39 -0.06 0.00 -1.18 0.00 0.00 61.69 59.07 3k31 s THR 63 Cb -0.15 -1.66 0.02 0.00 1.34 0.00 0.00 72.50 72.05 3k31 s THR 63 CO -0.10 0.20 0.17 -0.69 -0.54 0.00 0.00 174.62 173.66 3k31 s VAL 64 N -0.89 -0.01 0.47 2.29 1.01 -0.62 -4.98 120.40 117.67 3k31 s VAL 64 Ca 0.10 0.02 -0.23 0.00 0.00 0.00 0.00 61.98 61.87 3k31 s VAL 64 Cb -0.10 -0.25 -0.07 0.00 0.00 0.00 0.00 36.38 35.96 3k31 s VAL 64 CO 0.03 0.01 1.21 -2.84 0.00 0.00 0.00 175.10 173.51 3k31 s PRO 65 N 0.23 3.68 -0.30 2.72 0.02 -1.26 -1.61 135.00 138.48 3k31 s PRO 65 Ca -0.01 1.89 -0.02 0.00 0.02 0.00 0.00 61.00 62.87 3k31 s PRO 65 Cb -0.02 -2.42 0.19 0.00 0.02 0.00 0.00 34.50 32.26 3k31 s PRO 65 CO -0.01 -0.65 0.64 0.00 -0.33 0.00 0.00 177.00 176.65 3k31 s ASP 67 N 2.87 5.18 0.00 0.00 -1.08 -1.25 -4.20 116.67 118.18 3k31 s ASP 67 Ca 0.18 -1.01 0.19 0.00 -0.52 0.00 0.00 52.55 51.39 3k31 s ASP 67 Cb -0.15 -1.85 0.95 0.00 -1.46 0.00 0.00 42.92 40.42 3k31 s ASP 67 CO -0.20 -0.27 1.56 1.33 0.52 0.00 0.00 175.17 178.11 3k31 n VAL 68 N 4.81 0.41 0.92 1.11 0.24 -1.26 -1.33 118.33 123.23 3k31 n VAL 68 Ca -0.13 0.10 0.13 0.00 -2.04 0.00 0.00 64.34 62.40 3k31 n VAL 68 Cb 0.46 -0.80 0.43 0.00 -1.47 0.00 0.00 33.84 32.46 3k31 n VAL 68 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3k31 n SER 69 N -1.26 0.32 -4.15 -1.34 3.41 -1.26 -4.70 113.62 104.64 3k31 n SER 69 Ca 0.09 0.23 -0.35 0.00 -0.26 0.00 0.00 58.87 58.58 3k31 n SER 69 Cb 0.14 -0.22 -0.13 0.00 -0.26 0.00 0.00 64.21 63.74 3k31 n SER 69 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3k31 s ASP 70 N -3.29 5.03 0.37 4.04 -1.08 -0.44 -4.98 116.67 116.32 3k31 s ASP 70 Ca 0.12 -1.59 0.08 0.00 -0.52 0.00 0.00 52.55 50.64 3k31 s ASP 70 Cb 0.17 -1.76 0.81 0.00 -1.46 0.00 0.00 42.92 40.69 3k31 s ASP 70 CO 0.61 -0.37 1.92 0.00 0.52 0.00 0.00 175.17 177.85 3k31 h ALA 71 N 8.00 1.81 -0.53 3.66 0.00 -1.84 -1.26 119.26 129.11 3k31 h ALA 71 Ca -0.17 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 3k31 h ALA 71 Cb 1.05 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3k31 h ALA 71 CO 0.59 0.01 0.00 1.49 0.00 0.00 0.00 179.25 181.35 3k31 h GLU 72 N 0.69 0.89 -0.30 0.00 4.22 -1.93 0.45 114.58 118.59 3k31 h GLU 72 Ca 0.38 -0.25 -0.01 0.00 0.08 0.00 0.00 59.36 59.55 3k31 h GLU 72 Cb 0.52 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3k31 h GLU 72 CO -0.15 0.89 0.14 1.03 -2.18 0.00 0.00 179.01 178.74 3k31 h SER 73 N 0.82 0.40 -0.52 1.04 0.87 -1.53 0.40 113.55 115.04 3k31 h SER 73 Ca 0.16 -0.13 -0.04 0.00 -1.23 0.00 0.00 61.79 60.55 3k31 h SER 73 Cb 0.49 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.32 3k31 h SER 73 CO 0.02 0.42 0.18 0.58 -0.53 0.00 0.00 176.83 177.51 3k31 h VAL 74 N 0.35 1.22 -0.43 2.23 2.07 -1.14 -0.97 116.25 119.58 3k31 h VAL 74 Ca 0.10 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 66.87 3k31 h VAL 74 Cb 0.13 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 3k31 h VAL 74 CO -0.01 0.27 0.19 0.44 0.02 0.00 0.00 177.57 178.48 3k31 h ASP 75 N 0.70 0.59 -0.79 0.57 3.32 -0.70 -1.93 116.42 118.19 3k31 h ASP 75 Ca 0.17 -0.15 0.01 0.00 0.02 0.00 0.00 57.03 57.08 3k31 h ASP 75 Cb 0.24 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 3k31 h ASP 75 CO -0.01 0.58 0.52 -1.13 -1.72 0.00 0.00 179.24 177.48 3k31 h ASN 76 N 0.56 0.89 -0.49 6.45 -1.24 -0.75 -0.95 115.58 120.05 3k31 h ASN 76 Ca 0.15 -0.02 -0.04 0.00 0.71 0.00 0.00 56.30 57.10 3k31 h ASN 76 Cb 0.17 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 38.97 3k31 h ASN 76 CO -0.01 0.64 0.16 -0.03 -1.29 0.00 0.00 177.43 176.90 3k31 h MET 77 N 1.05 0.77 0.00 6.67 4.05 -0.44 -0.91 114.93 126.12 3k31 h MET 77 Ca 0.29 -0.16 -0.10 0.00 -0.28 0.00 0.00 59.70 59.45 3k31 h MET 77 Cb -0.10 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 30.57 3k31 h MET 77 CO -0.07 0.71 -0.49 0.74 0.23 0.00 0.00 176.91 178.04 3k31 h PHE 78 N 0.67 0.00 -0.51 1.39 0.04 -1.09 -1.68 116.94 115.75 3k31 h PHE 78 Ca 0.16 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.92 3k31 h PHE 78 Cb 0.26 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.39 3k31 h PHE 78 CO 0.01 0.49 0.27 0.87 -0.60 0.00 0.00 178.31 179.36 3k31 h LYS 79 N 0.00 0.72 -0.46 1.51 1.79 -0.74 -0.52 116.57 118.87 3k31 h LYS 79 Ca -0.00 -0.09 -0.03 0.00 -2.18 0.00 0.00 60.65 58.35 3k31 h LYS 79 Cb 0.96 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 31.45 3k31 h LYS 79 CO 0.06 0.57 0.19 0.28 -1.08 0.00 0.00 179.45 179.47 3k31 h VAL 80 N 0.68 1.20 -0.54 0.50 2.07 -0.74 -1.40 116.25 118.02 3k31 h VAL 80 Ca 0.18 -0.63 -0.09 0.00 0.82 0.00 0.00 66.70 66.98 3k31 h VAL 80 Cb 0.06 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 3k31 h VAL 80 CO -0.03 0.23 -0.04 -0.07 0.02 0.00 0.00 177.57 177.69 3k31 h LEU 81 N 0.60 0.94 -0.67 2.57 3.38 -1.16 -0.17 115.31 120.81 3k31 h LEU 81 Ca 0.15 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 3k31 h LEU 81 Cb 0.19 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3k31 h LEU 81 CO -0.01 1.02 0.28 0.00 0.09 0.00 0.00 178.44 179.81 3k31 h ALA 82 N 1.07 0.87 -0.35 1.53 0.00 -0.95 0.72 119.26 122.15 3k31 h ALA 82 Ca 0.15 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3k31 h ALA 82 Cb 0.56 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3k31 h ALA 82 CO 0.03 0.48 0.04 0.93 0.00 0.00 0.00 179.25 180.73 3k31 h GLU 83 N 0.94 0.60 -0.17 0.00 5.08 -0.89 -0.39 114.58 119.76 3k31 h GLU 83 Ca 0.22 -0.17 -0.12 0.00 -1.00 0.00 0.00 59.36 58.30 3k31 h GLU 83 Cb 0.19 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3k31 h GLU 83 CO -0.02 0.68 -0.35 0.93 -1.00 0.00 0.00 179.01 179.25 3k31 h GLU 84 N 0.43 0.54 0.00 2.33 4.39 -0.87 -3.41 114.58 117.98 3k31 h GLU 84 Ca 0.11 -0.35 -0.06 0.00 0.34 0.00 0.00 59.36 59.40 3k31 h GLU 84 Cb 0.38 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 3k31 h GLU 84 CO 0.01 0.96 -1.27 0.91 -1.16 0.00 0.00 179.01 178.46 3k31 n TRP 85 N -4.32 0.00 0.00 4.33 8.01 0.23 -5.03 117.44 120.67 3k31 n TRP 85 Ca -0.06 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.13 3k31 n TRP 85 Cb 0.50 -0.18 0.00 0.00 -2.01 0.00 0.00 31.31 29.62 3k31 n TRP 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3k31 n GLY 86 N 2.65 2.18 3.45 6.99 0.00 -0.16 -4.90 105.19 115.40 3k31 n GLY 86 Ca -0.06 -0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 3k31 n GLY 86 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k31 s SER 87 N 0.02 -0.01 -0.00 1.61 1.04 -1.26 -4.89 113.70 110.20 3k31 s SER 87 Ca 0.00 -1.03 0.01 0.00 0.48 0.00 0.00 55.95 55.41 3k31 s SER 87 Cb 0.00 0.51 -0.00 0.00 0.10 0.00 0.00 66.02 66.63 3k31 s SER 87 CO 0.00 -1.02 -0.04 -0.22 0.98 0.00 0.00 173.24 172.94 3k31 s LEU 88 N -3.04 2.02 -0.19 2.42 2.96 -0.46 -4.95 118.68 117.44 3k31 s LEU 88 Ca 0.26 -0.09 0.17 0.00 -0.22 0.00 0.00 54.13 54.25 3k31 s LEU 88 Cb 0.02 -0.17 -0.24 0.00 0.50 0.00 0.00 46.19 46.30 3k31 s LEU 88 CO 0.08 0.02 0.07 0.47 -1.32 0.00 0.00 176.35 175.68 3k31 n ASP 89 N 2.90 0.24 -3.76 3.68 8.00 0.97 -4.38 116.55 124.21 3k31 n ASP 89 Ca -0.13 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.26 3k31 n ASP 89 Cb 0.59 0.99 -0.07 0.00 -0.02 0.00 0.00 41.12 42.60 3k31 n ASP 89 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3k31 s PHE 90 N -2.48 -0.05 -0.03 1.24 -0.12 -1.02 -1.70 117.98 113.83 3k31 s PHE 90 Ca -0.10 -0.21 0.01 0.00 -0.05 0.00 0.00 56.93 56.59 3k31 s PHE 90 Cb 0.06 0.09 0.02 0.00 -0.63 0.00 0.00 43.02 42.55 3k31 s PHE 90 CO 0.79 -0.56 -0.04 0.08 -0.05 0.00 0.00 175.22 175.44 3k31 s VAL 91 N -3.19 0.47 -0.18 -2.49 1.01 -0.81 -2.20 120.40 113.01 3k31 s VAL 91 Ca -0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 61.98 61.85 3k31 s VAL 91 Cb 0.01 -0.49 0.01 0.00 0.00 0.00 0.00 36.38 35.91 3k31 s VAL 91 CO -0.07 0.19 -0.15 -0.69 0.00 0.00 0.00 175.10 174.38 3k31 s VAL 92 N 0.69 2.53 -0.34 2.92 1.01 -0.14 -1.08 120.40 126.00 3k31 s VAL 92 Ca -0.09 -0.79 -0.06 0.00 0.00 0.00 0.00 61.98 61.04 3k31 s VAL 92 Cb -0.12 -2.08 0.05 0.00 0.00 0.00 0.00 36.38 34.23 3k31 s VAL 92 CO -0.00 0.51 0.11 -2.28 0.00 0.00 0.00 175.10 173.43 3k31 s HIS 93 N 1.15 3.28 -0.52 5.22 2.46 0.00 -0.99 115.29 125.90 3k31 s HIS 93 Ca 0.01 -1.57 0.07 0.00 0.47 0.00 0.00 55.06 54.05 3k31 s HIS 93 Cb -0.14 -2.36 0.31 0.00 -0.13 0.00 0.00 32.58 30.26 3k31 s HIS 93 CO -0.06 -0.77 0.79 0.00 -2.47 0.00 0.00 174.74 172.24 3k31 n ALA 94 N 4.78 3.60 -3.02 1.58 0.00 -0.26 -3.35 120.51 123.84 3k31 n ALA 94 Ca -0.12 -4.23 -0.15 0.00 0.00 0.00 0.00 53.44 48.94 3k31 n ALA 94 Cb 0.44 -0.83 -0.15 0.00 0.00 0.00 0.00 19.45 18.92 3k31 n ALA 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3k31 s VAL 95 N -3.08 0.25 0.07 0.00 -7.23 -1.26 -4.36 120.40 104.78 3k31 s VAL 95 Ca 0.43 -0.09 -0.22 0.00 -1.81 0.00 0.00 61.98 60.29 3k31 s VAL 95 Cb 0.25 -0.24 0.05 0.00 0.56 0.00 0.00 36.38 37.00 3k31 s VAL 95 CO -0.09 0.09 0.52 0.00 -0.31 0.00 0.00 175.10 175.31 3k31 s ALA 96 N 0.18 -1.33 -0.25 1.32 0.00 -1.26 -4.62 121.76 115.80 3k31 s ALA 96 Ca -0.02 0.52 -0.20 0.00 0.00 0.00 0.00 51.96 52.26 3k31 s ALA 96 Cb -0.04 0.50 0.07 0.00 0.00 0.00 0.00 23.12 23.64 3k31 s ALA 96 CO -0.00 -0.56 0.64 0.12 0.00 0.00 0.00 175.76 175.96 3k31 s PHE 97 N -2.81 -0.78 0.18 0.00 5.36 -1.26 -4.95 117.98 113.73 3k31 s PHE 97 Ca -0.03 1.80 -0.13 0.00 -0.96 0.00 0.00 56.93 57.60 3k31 s PHE 97 Cb -0.00 0.32 0.01 0.00 -0.34 0.00 0.00 43.02 43.01 3k31 s PHE 97 CO -0.05 -0.38 0.41 0.45 -1.46 0.00 0.00 175.22 174.19 3k31 s SER 98 N 0.67 -0.11 -0.18 6.13 0.15 -1.26 -4.27 113.70 114.83 3k31 s SER 98 Ca -0.03 -0.67 -0.29 0.00 0.70 0.00 0.00 55.95 55.66 3k31 s SER 98 Cb -0.05 0.51 -0.02 0.00 -1.71 0.00 0.00 66.02 64.75 3k31 s SER 98 CO -0.04 -0.98 1.42 -0.62 1.20 0.00 0.00 173.24 174.22 3k31 s ASP 99 N -2.92 6.72 0.42 5.45 -1.08 -1.26 -4.91 116.67 119.09 3k31 s ASP 99 Ca 0.13 1.69 0.09 0.00 -0.52 0.00 0.00 52.55 53.95 3k31 s ASP 99 Cb 0.01 -2.54 0.90 0.00 -1.46 0.00 0.00 42.92 39.83 3k31 s ASP 99 CO -0.01 -0.96 2.02 0.07 0.52 0.00 0.00 175.17 176.81 3k31 h LYS 100 N 9.21 0.34 -0.10 4.34 5.09 -2.01 -2.50 116.57 130.95 3k31 h LYS 100 Ca -0.30 -0.04 -0.12 0.00 0.09 0.00 0.00 60.65 60.27 3k31 h LYS 100 Cb 1.13 -0.07 -0.01 0.00 0.10 0.00 0.00 32.23 33.38 3k31 h LYS 100 CO 0.99 0.31 -0.48 -0.91 -2.09 0.00 0.00 179.45 177.26 3k31 h ASN 101 N 0.34 0.26 1.26 7.07 2.35 -2.03 -2.82 115.58 122.01 3k31 h ASN 101 Ca 0.09 -0.12 -0.04 0.00 -0.55 0.00 0.00 56.30 55.68 3k31 h ASN 101 Cb 0.11 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 3k31 h ASN 101 CO -0.01 0.71 -0.17 -0.33 -1.65 0.00 0.00 177.43 175.98 3k31 h GLU 102 N 0.19 0.00 0.00 0.81 5.08 -1.85 -2.98 114.58 115.83 3k31 h GLU 102 Ca 0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3k31 h GLU 102 Cb 0.93 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.17 3k31 h GLU 102 CO 0.07 0.17 -0.12 -0.07 -1.00 0.00 0.00 179.01 178.07 3k31 h LEU 103 N 0.00 0.00 -0.62 1.33 3.38 -1.43 -2.60 115.31 115.37 3k31 h LEU 103 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3k31 h LEU 103 Cb 0.85 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 3k31 h LEU 103 CO 0.02 0.12 -0.05 0.11 0.09 0.00 0.00 178.44 178.73 3k31 h LYS 104 N 0.00 0.00 0.00 1.13 1.57 -1.61 -3.40 116.57 114.26 3k31 h LYS 104 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3k31 h LYS 104 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3k31 h LYS 104 CO 0.02 0.05 0.00 0.41 -0.57 0.00 0.00 179.45 179.35 3k31 n GLY 105 N 0.65 2.28 3.85 3.86 0.00 -0.98 -5.03 105.19 109.81 3k31 n GLY 105 Ca 0.02 -1.97 -0.36 0.00 0.00 0.00 0.00 46.02 43.72 3k31 n GLY 105 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k31 s ARG 106 N 3.34 3.83 0.27 1.61 0.52 -1.26 -4.96 118.95 122.30 3k31 s ARG 106 Ca 0.00 0.29 0.00 0.00 -0.52 0.00 0.00 55.73 55.50 3k31 s ARG 106 Cb 0.00 -3.06 0.55 0.00 0.52 0.00 0.00 34.95 32.96 3k31 s ARG 106 CO 0.00 0.59 1.80 -0.92 0.02 0.00 0.00 175.30 176.79 3k31 h TYR 107 N 4.01 0.96 0.00 -0.53 3.20 -1.95 -1.86 116.97 120.80 3k31 h TYR 107 Ca -0.50 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.40 3k31 h TYR 107 Cb 1.20 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 39.18 3k31 h TYR 107 CO 0.68 0.31 0.00 -0.24 -1.64 0.00 0.00 178.16 177.27 3k31 h VAL 108 N 0.80 0.00 -0.53 1.81 3.04 -1.99 -1.34 116.25 118.04 3k31 h VAL 108 Ca 0.48 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 66.06 3k31 h VAL 108 Cb 0.58 0.95 0.00 0.00 -2.01 0.00 0.00 31.29 30.81 3k31 h VAL 108 CO -0.31 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 176.72 3k31 n ASP 109 N -2.79 2.86 -4.72 3.17 8.00 -0.70 -4.97 116.55 117.40 3k31 n ASP 109 Ca -0.01 -2.01 -0.43 0.00 0.71 0.00 0.00 54.79 53.04 3k31 n ASP 109 Cb 0.12 -0.36 -0.02 0.00 -0.02 0.00 0.00 41.12 40.83 3k31 n ASP 109 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3k31 n THR 110 N 1.03 0.55 -2.59 -3.53 -1.04 -0.51 -4.98 114.28 103.21 3k31 n THR 110 Ca 0.18 -0.14 -0.31 0.00 -2.04 0.00 0.00 64.05 61.74 3k31 n THR 110 Cb 0.46 -1.88 -0.02 0.00 -1.82 0.00 0.00 70.33 67.06 3k31 n THR 110 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3k31 s SER 111 N 0.76 6.49 0.18 8.00 1.04 -1.26 -4.96 113.70 123.94 3k31 s SER 111 Ca 0.70 1.26 -0.13 0.00 0.48 0.00 0.00 55.95 58.25 3k31 s SER 111 Cb -0.53 -2.38 0.13 0.00 0.10 0.00 0.00 66.02 63.33 3k31 s SER 111 CO 0.42 -0.52 1.78 0.25 0.98 0.00 0.00 173.24 176.15 3k31 h LEU 112 N 0.87 0.35 -0.49 2.42 5.85 -1.99 -1.58 115.31 120.74 3k31 h LEU 112 Ca -0.47 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.29 3k31 h LEU 112 Cb 1.19 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 3k31 h LEU 112 CO 0.63 0.25 0.32 1.23 -0.34 0.00 0.00 178.44 180.53 3k31 h GLY 113 N 0.49 0.69 0.96 3.75 0.00 -1.99 -0.21 103.07 106.75 3k31 h GLY 113 Ca 0.22 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.26 3k31 h GLY 113 CO -0.15 0.25 0.18 -0.57 0.00 0.00 0.00 176.54 176.25 3k31 h ASN 114 N 0.66 0.65 -0.16 0.19 -1.24 -1.93 -1.24 115.58 112.52 3k31 h ASN 114 Ca 0.18 -0.17 0.03 0.00 0.71 0.00 0.00 56.30 57.05 3k31 h ASN 114 Cb -0.08 -0.17 -0.03 0.00 0.73 0.00 0.00 38.32 38.77 3k31 h ASN 114 CO -0.04 0.65 -0.04 0.15 -1.29 0.00 0.00 177.43 176.86 3k31 h PHE 115 N 0.61 -0.09 -0.34 0.67 3.57 -0.88 0.29 116.94 120.77 3k31 h PHE 115 Ca 0.16 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.59 3k31 h PHE 115 Cb 0.20 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 3k31 h PHE 115 CO 0.00 -0.07 -0.09 -0.07 -2.23 0.00 0.00 178.31 175.86 3k31 h LEU 116 N -0.00 0.67 -0.44 0.59 3.38 -0.97 -0.66 115.31 117.88 3k31 h LEU 116 Ca 0.08 -0.37 -0.06 0.00 0.09 0.00 0.00 57.88 57.62 3k31 h LEU 116 Cb 0.12 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3k31 h LEU 116 CO -0.17 0.88 0.02 0.74 0.09 0.00 0.00 178.44 180.00 3k31 h THR 117 N 0.44 1.26 -0.64 0.22 2.02 -1.14 -0.96 112.91 114.10 3k31 h THR 117 Ca 0.09 -1.00 -0.09 0.00 0.77 0.00 0.00 66.41 66.18 3k31 h THR 117 Cb 0.59 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 3k31 h THR 117 CO 0.03 0.34 0.06 0.77 0.37 0.00 0.00 175.52 177.10 3k31 h SER 118 N 0.61 1.06 -0.73 4.18 4.64 -0.84 -2.01 113.55 120.45 3k31 h SER 118 Ca 0.13 -0.27 -0.03 0.00 -0.47 0.00 0.00 61.79 61.15 3k31 h SER 118 Cb 0.46 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.23 3k31 h SER 118 CO 0.02 1.07 0.36 0.24 -0.87 0.00 0.00 176.83 177.65 3k31 h MET 119 N 1.01 1.05 0.12 4.77 2.07 -0.96 0.65 114.93 123.65 3k31 h MET 119 Ca 0.19 -0.15 -0.01 0.00 -2.07 0.00 0.00 59.70 57.66 3k31 h MET 119 Cb 0.49 -0.19 0.00 0.00 -1.87 0.00 0.00 31.60 30.03 3k31 h MET 119 CO 0.02 0.82 -0.06 1.25 1.07 0.00 0.00 176.91 180.01 3k31 h HIS 120 N 1.03 -0.15 0.13 -0.22 6.17 -0.92 -0.29 115.15 120.90 3k31 h HIS 120 Ca 0.25 -0.00 -0.30 0.00 0.71 0.00 0.00 60.37 61.03 3k31 h HIS 120 Cb 0.11 0.05 0.03 0.00 2.52 0.00 0.00 27.41 30.12 3k31 h HIS 120 CO 0.01 0.08 -1.26 0.82 0.71 0.00 0.00 177.93 178.28 3k31 h ILE 121 N -0.36 1.28 0.00 6.26 1.08 -1.34 -0.97 117.51 123.47 3k31 h ILE 121 Ca -0.02 -2.46 -0.05 0.00 -0.39 0.00 0.00 64.86 61.94 3k31 h ILE 121 Cb 0.29 2.70 -0.01 0.00 -3.07 0.00 0.00 36.82 36.73 3k31 h ILE 121 CO 0.03 0.75 -0.97 0.28 -0.69 0.00 0.00 178.15 177.54 3k31 h SER 122 N 0.28 0.00 0.00 1.72 0.02 -0.94 -3.39 113.55 111.24 3k31 h SER 122 Ca -0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 3k31 h SER 122 Cb 1.93 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.47 3k31 h SER 122 CO 0.24 0.19 0.00 0.00 -1.14 0.00 0.00 176.83 176.13 3k31 h TYR 124 N 0.00 0.99 -0.73 0.00 3.20 -0.93 -2.19 116.97 117.31 3k31 h TYR 124 Ca 0.00 0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.01 3k31 h TYR 124 Cb 0.00 -0.33 -0.05 0.00 1.54 0.00 0.00 36.73 37.90 3k31 h TYR 124 CO 0.00 0.65 0.49 0.66 -1.64 0.00 0.00 178.16 178.32 3k31 h SER 125 N 1.04 0.43 -0.62 -2.11 4.64 -1.37 -0.32 113.55 115.24 3k31 h SER 125 Ca 0.27 0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.57 3k31 h SER 125 Cb -0.05 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 61.94 3k31 h SER 125 CO -0.05 0.23 0.23 0.15 -0.87 0.00 0.00 176.83 176.52 3k31 h PHE 126 N 0.46 0.96 -0.40 4.77 3.57 -1.67 -1.11 116.94 123.53 3k31 h PHE 126 Ca 0.35 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.75 3k31 h PHE 126 Cb 0.73 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 3k31 h PHE 126 CO -0.00 0.77 0.18 1.15 -2.23 0.00 0.00 178.31 178.17 3k31 h THR 127 N 0.87 1.18 -0.49 4.41 2.02 -1.17 -0.45 112.91 119.28 3k31 h THR 127 Ca 0.20 -0.54 -0.04 0.00 0.77 0.00 0.00 66.41 66.80 3k31 h THR 127 Cb 0.23 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 3k31 h THR 127 CO -0.01 0.20 0.17 0.22 0.37 0.00 0.00 175.52 176.46 3k31 h TYR 128 N 0.50 0.78 -0.71 3.16 3.20 -1.18 -1.12 116.97 121.60 3k31 h TYR 128 Ca 0.13 -0.07 -0.06 0.00 3.14 0.00 0.00 58.73 61.87 3k31 h TYR 128 Cb 0.15 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.16 3k31 h TYR 128 CO -0.01 0.68 0.21 0.82 -1.64 0.00 0.00 178.16 178.22 3k31 h ILE 129 N 0.66 1.26 -0.78 1.81 2.04 -1.07 -1.44 117.51 119.99 3k31 h ILE 129 Ca 0.16 -0.91 0.02 0.00 1.00 0.00 0.00 64.86 65.13 3k31 h ILE 129 Cb 0.25 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 3k31 h ILE 129 CO -0.01 0.36 0.51 0.00 0.00 0.00 0.00 178.15 179.01 3k31 h ALA 130 N 1.10 1.01 -0.52 1.87 0.00 -0.78 0.40 119.26 122.34 3k31 h ALA 130 Ca 0.23 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3k31 h ALA 130 Cb 0.32 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3k31 h ALA 130 CO -0.00 0.35 0.21 0.66 0.00 0.00 0.00 179.25 180.47 3k31 h SER 131 N 1.01 0.68 0.39 0.00 4.64 -0.43 -1.55 113.55 118.29 3k31 h SER 131 Ca 0.30 -0.08 -0.20 0.00 -0.47 0.00 0.00 61.79 61.34 3k31 h SER 131 Cb -0.05 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 61.86 3k31 h SER 131 CO -0.09 0.62 -0.85 0.11 -0.87 0.00 0.00 176.83 175.75 3k31 h LYS 132 N 0.75 0.34 -0.21 4.77 1.79 -0.72 -3.26 116.57 120.02 3k31 h LYS 132 Ca 0.18 -0.33 -0.13 0.00 -2.18 0.00 0.00 60.65 58.19 3k31 h LYS 132 Cb 0.15 0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.87 3k31 h LYS 132 CO -0.02 1.01 -0.40 0.00 -1.08 0.00 0.00 179.45 178.96 3k31 h ALA 133 N 0.88 0.91 -0.63 3.86 0.00 -0.72 -3.37 119.26 120.19 3k31 h ALA 133 Ca -0.05 -0.43 0.13 0.00 0.00 0.00 0.00 54.91 54.55 3k31 h ALA 133 Cb 1.46 -0.11 -0.12 0.00 0.00 0.00 0.00 17.79 19.03 3k31 h ALA 133 CO 0.14 0.63 -0.15 1.49 0.00 0.00 0.00 179.25 181.37 3k31 h GLU 134 N 0.41 0.00 0.00 0.00 4.81 -1.32 -0.32 114.58 118.16 3k31 h GLU 134 Ca 0.04 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3k31 h GLU 134 Cb 0.88 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.26 3k31 h GLU 134 CO 0.08 0.00 0.00 -1.00 -0.73 0.00 0.00 179.01 177.36 3k31 h PRO 135 N 0.01 0.00 -0.00 0.92 0.13 -1.78 -1.97 132.00 129.31 3k31 h PRO 135 Ca 0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.43 3k31 h PRO 135 Cb 0.47 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.60 3k31 h PRO 135 CO -0.64 0.00 -0.30 1.28 -0.23 0.00 0.00 178.00 178.10 3k31 n LEU 136 N -2.54 0.57 -1.65 1.56 4.77 -0.16 -4.24 117.00 115.30 3k31 n LEU 136 Ca 0.02 -0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.83 3k31 n LEU 136 Cb 0.26 -0.24 0.07 0.00 -2.33 0.00 0.00 43.42 41.19 3k31 n LEU 136 CO 0.23 0.12 0.26 0.23 -1.33 0.00 0.00 177.39 176.90 3k31 n MET 137 N -1.18 3.05 -0.36 3.23 2.81 -0.74 -1.35 117.12 122.58 3k31 n MET 137 Ca 0.09 -3.92 0.06 0.00 -1.81 0.00 0.00 57.70 52.13 3k31 n MET 137 Cb 0.33 -2.10 0.22 0.00 -0.71 0.00 0.00 33.22 30.96 3k31 n MET 137 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 3k31 h THR 138 N 1.84 0.95 0.00 2.03 2.02 -1.74 -1.05 112.91 116.96 3k31 h THR 138 Ca 0.28 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 67.11 3k31 h THR 138 Cb 1.39 -0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 3k31 h THR 138 CO 0.58 0.19 0.00 0.59 0.37 0.00 0.00 175.52 177.25 3k31 n ASN 139 N -4.60 0.10 0.00 4.18 5.03 -1.26 -4.87 115.26 113.84 3k31 n ASN 139 Ca 0.18 -1.58 0.00 0.00 0.87 0.00 0.00 54.58 54.05 3k31 n ASN 139 Cb 0.32 -0.05 0.00 0.00 -1.02 0.00 0.00 39.78 39.03 3k31 n ASN 139 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3k31 n GLY 140 N 0.27 -0.28 0.00 7.41 0.00 -0.40 -4.99 105.19 107.19 3k31 n GLY 140 Ca 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.19 3k31 n GLY 140 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k31 n GLY 141 N -0.30 0.14 3.10 -0.02 0.00 -0.95 -4.74 105.19 102.41 3k31 n GLY 141 Ca 0.00 -1.34 -0.12 0.00 0.00 0.00 0.00 46.02 44.56 3k31 n GLY 141 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3k31 s SER 142 N -4.00 -0.14 -0.09 1.61 0.15 -0.69 -1.05 113.70 109.50 3k31 s SER 142 Ca 0.00 0.66 0.03 0.00 0.70 0.00 0.00 55.95 57.34 3k31 s SER 142 Cb 0.00 0.64 -0.01 0.00 -1.71 0.00 0.00 66.02 64.93 3k31 s SER 142 CO 0.00 -0.20 -0.19 -0.63 1.20 0.00 0.00 173.24 173.43 3k31 s ILE 143 N 1.72 2.59 -0.02 6.45 1.01 0.29 -1.92 121.20 131.32 3k31 s ILE 143 Ca -0.06 -0.86 0.02 0.00 0.00 0.00 0.00 60.65 59.75 3k31 s ILE 143 Cb -0.11 -2.02 0.01 0.00 0.01 0.00 0.00 42.46 40.35 3k31 s ILE 143 CO -0.10 0.56 -0.06 -0.22 0.00 0.00 0.00 174.94 175.12 3k31 s LEU 144 N -0.04 1.73 0.43 2.97 2.96 -0.24 -1.61 118.68 124.89 3k31 s LEU 144 Ca -0.05 -0.14 0.03 0.00 -0.22 0.00 0.00 54.13 53.76 3k31 s LEU 144 Cb -0.14 -0.42 -0.03 0.00 0.50 0.00 0.00 46.19 46.09 3k31 s LEU 144 CO 0.04 0.03 0.05 0.28 -1.32 0.00 0.00 176.35 175.44 3k31 s THR 145 N 0.27 1.10 -0.05 3.68 -1.32 -0.51 -0.82 115.64 118.00 3k31 s THR 145 Ca -0.04 -2.00 0.06 0.00 -1.21 0.00 0.00 61.69 58.50 3k31 s THR 145 Cb -0.08 -2.44 -0.02 0.00 -1.51 0.00 0.00 72.50 68.45 3k31 s THR 145 CO 0.00 0.00 -0.22 -0.76 -2.21 0.00 0.00 174.62 171.43 3k31 s LEU 146 N -3.70 2.28 0.00 9.08 1.43 -1.21 -1.44 118.68 125.12 3k31 s LEU 146 Ca 0.21 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 3k31 s LEU 146 Cb 0.04 -1.43 0.00 0.00 0.03 0.00 0.00 46.19 44.83 3k31 s LEU 146 CO 0.11 0.29 0.00 -0.24 0.23 0.00 0.00 176.35 176.73 3k31 n SER 147 N 2.68 0.87 -3.50 2.29 2.88 0.59 -4.90 113.62 114.54 3k31 n SER 147 Ca -0.17 -0.70 -0.15 0.00 -1.33 0.00 0.00 58.87 56.52 3k31 n SER 147 Cb 0.52 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.93 3k31 n SER 147 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 3k31 s TYR 148 N -1.13 -0.58 0.65 0.66 5.04 -1.26 -2.16 117.35 118.57 3k31 s TYR 148 Ca 0.00 0.83 0.40 0.00 -2.44 0.00 0.00 57.07 55.86 3k31 s TYR 148 Cb 0.00 0.46 2.23 0.00 0.35 0.00 0.00 41.96 45.00 3k31 s TYR 148 CO 0.00 -0.64 2.32 -0.92 -1.34 0.00 0.00 175.55 174.97 3k31 h TYR 149 N 2.65 0.00 0.00 4.97 3.20 -1.90 -0.73 116.97 125.16 3k31 h TYR 149 Ca -0.28 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.59 3k31 h TYR 149 Cb 1.19 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.46 3k31 h TYR 149 CO 0.33 0.00 0.04 0.41 -1.64 0.00 0.00 178.16 177.30 3k31 n GLY 150 N -1.16 -0.82 0.20 1.82 0.00 -1.26 -0.92 105.19 103.06 3k31 n GLY 150 Ca -0.03 0.18 0.05 0.00 0.00 0.00 0.00 46.02 46.22 3k31 n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k31 h ALA 151 N 1.89 1.27 0.00 4.61 0.00 -1.29 -3.36 119.26 122.38 3k31 h ALA 151 Ca 0.00 -0.30 -0.29 0.00 0.00 0.00 0.00 54.91 54.31 3k31 h ALA 151 Cb 0.08 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 3k31 h ALA 151 CO 0.00 0.42 -2.11 0.39 0.00 0.00 0.00 179.25 177.95 3k31 n GLU 152 N -3.89 0.85 -4.06 0.00 1.02 -0.10 -4.36 120.64 110.10 3k31 n GLU 152 Ca -0.02 0.07 -0.09 0.00 -0.02 0.00 0.00 57.16 57.11 3k31 n GLU 152 Cb 0.40 -1.40 -0.11 0.00 -0.02 0.00 0.00 31.44 30.32 3k31 n GLU 152 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3k31 s LYS 153 N -2.39 0.52 -0.08 3.49 -0.14 -0.74 -5.13 119.74 115.27 3k31 s LYS 153 Ca -0.20 -0.96 -0.30 0.00 -1.36 0.00 0.00 55.97 53.16 3k31 s LYS 153 Cb 0.06 0.05 -0.03 0.00 -1.68 0.00 0.00 37.83 36.23 3k31 s LYS 153 CO 0.52 -0.05 1.23 0.08 -0.76 0.00 0.00 175.35 176.37 3k31 s VAL 154 N -2.66 4.23 0.17 3.17 1.01 -1.26 -4.06 120.40 121.00 3k31 s VAL 154 Ca -0.03 1.54 0.07 0.00 0.00 0.00 0.00 61.98 63.56 3k31 s VAL 154 Cb -0.01 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 3k31 s VAL 154 CO -0.05 -0.04 -0.14 0.68 0.00 0.00 0.00 175.10 175.55 3k31 s VAL 155 N 2.59 1.58 0.61 2.92 -7.23 -1.26 -5.04 120.40 114.57 3k31 s VAL 155 Ca 0.56 -2.03 -0.17 0.00 -1.81 0.00 0.00 61.98 58.54 3k31 s VAL 155 Cb -0.24 -1.86 -0.03 0.00 0.56 0.00 0.00 36.38 34.81 3k31 s VAL 155 CO 0.20 -0.53 1.10 -2.16 -0.31 0.00 0.00 175.10 173.41 3k31 s PRO 156 N -3.29 3.08 -1.34 4.82 0.05 -1.26 -4.11 135.00 132.96 3k31 s PRO 156 Ca 0.17 1.41 -0.07 0.00 0.05 0.00 0.00 61.00 62.57 3k31 s PRO 156 Cb -0.02 -1.99 0.01 0.00 0.05 0.00 0.00 34.50 32.55 3k31 s PRO 156 CO 0.05 -1.03 0.91 1.58 0.05 0.00 0.00 177.00 178.56 3k31 n HIS 157 N -1.99 -2.38 0.00 0.56 -0.00 -1.26 -4.83 115.22 105.32 3k31 n HIS 157 Ca 0.10 0.78 0.00 0.00 -0.00 0.00 0.00 57.72 58.60 3k31 n HIS 157 Cb 0.52 -4.59 0.00 0.00 -0.00 0.00 0.00 29.99 25.92 3k31 n HIS 157 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.34 177.32 3k31 n TYR 158 N -4.70 0.00 0.00 1.57 9.36 -1.26 -4.96 117.16 117.18 3k31 n TYR 158 Ca -0.03 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.19 3k31 n TYR 158 Cb 0.58 0.17 0.00 0.00 -0.63 0.00 0.00 39.34 39.46 3k31 n TYR 158 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 3k31 n ASN 159 N -2.45 0.00 0.28 2.98 3.02 -1.26 -1.08 115.26 116.75 3k31 n ASN 159 Ca 0.00 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.70 3k31 n ASN 159 Cb 0.23 0.00 0.84 0.00 -0.61 0.00 0.00 39.78 40.25 3k31 n ASN 159 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 3k31 h VAL 160 N 0.00 0.49 0.00 2.41 3.04 -1.93 -0.53 116.25 119.73 3k31 h VAL 160 Ca 0.00 -0.27 -0.02 0.00 -1.01 0.00 0.00 66.70 65.40 3k31 h VAL 160 Cb 0.00 1.18 -0.00 0.00 -2.01 0.00 0.00 31.29 30.46 3k31 h VAL 160 CO 0.00 0.06 -0.09 0.24 -1.01 0.00 0.00 177.57 176.77 3k31 h MET 161 N 0.00 0.00 -0.47 4.17 2.86 -1.51 0.33 114.93 120.31 3k31 h MET 161 Ca -0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 3k31 h MET 161 Cb 0.18 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 3k31 h MET 161 CO 0.01 0.09 0.18 0.78 1.06 0.00 0.00 176.91 179.02 3k31 h GLY 162 N 0.28 0.76 0.91 8.32 0.00 -1.19 0.10 103.07 112.25 3k31 h GLY 162 Ca -0.00 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 46.86 3k31 h GLY 162 CO 0.01 0.40 0.03 -2.08 0.00 0.00 0.00 176.54 174.89 3k31 h VAL 163 N 0.61 1.25 -0.64 4.60 2.07 -1.44 -1.12 116.25 121.58 3k31 h VAL 163 Ca 0.15 -0.91 -0.02 0.00 0.82 0.00 0.00 66.70 66.74 3k31 h VAL 163 Cb 0.21 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 3k31 h VAL 163 CO -0.01 0.30 0.33 0.00 0.02 0.00 0.00 177.57 178.21 3k31 h LYS 165 N 0.87 0.33 -0.79 0.00 1.79 -0.70 -0.74 116.57 117.33 3k31 h LYS 165 Ca 0.22 -0.16 -0.04 0.00 -2.18 0.00 0.00 60.65 58.49 3k31 h LYS 165 Cb 0.08 -0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.69 3k31 h LYS 165 CO -0.03 0.69 0.34 0.00 -1.08 0.00 0.00 179.45 179.37 3k31 h ALA 166 N 1.30 1.02 -0.56 3.86 0.00 -1.02 0.37 119.26 124.23 3k31 h ALA 166 Ca 0.02 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 3k31 h ALA 166 Cb 0.84 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3k31 h ALA 166 CO 0.07 0.62 0.19 0.00 0.00 0.00 0.00 179.25 180.13 3k31 h ALA 167 N 1.18 0.73 -0.24 0.00 0.00 -1.07 -2.17 119.26 117.69 3k31 h ALA 167 Ca 0.27 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3k31 h ALA 167 Cb 0.17 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3k31 h ALA 167 CO -0.03 0.37 0.12 1.25 0.00 0.00 0.00 179.25 180.97 3k31 h LEU 168 N 0.77 0.19 -1.07 0.00 5.85 -0.66 0.81 115.31 121.20 3k31 h LEU 168 Ca 0.18 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.87 3k31 h LEU 168 Cb 0.25 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 3k31 h LEU 168 CO -0.01 0.14 0.20 -0.33 -0.34 0.00 0.00 178.44 178.11 3k31 h GLU 169 N 0.26 0.87 -0.60 1.25 5.08 -0.81 -1.16 114.58 119.47 3k31 h GLU 169 Ca 0.10 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 3k31 h GLU 169 Cb 0.02 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 3k31 h GLU 169 CO -0.06 0.73 0.14 0.00 -1.00 0.00 0.00 179.01 178.82 3k31 h ALA 170 N 1.38 0.79 -0.72 3.43 0.00 -0.96 -3.05 119.26 120.12 3k31 h ALA 170 Ca 0.20 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3k31 h ALA 170 Cb 0.21 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3k31 h ALA 170 CO -0.01 0.50 0.48 0.66 0.00 0.00 0.00 179.25 180.87 3k31 h SER 171 N 0.87 0.82 -0.78 0.00 4.64 -0.04 -1.79 113.55 117.27 3k31 h SER 171 Ca 0.19 -0.02 0.10 0.00 -0.47 0.00 0.00 61.79 61.59 3k31 h SER 171 Cb 0.36 -0.20 -0.08 0.00 -0.31 0.00 0.00 62.40 62.17 3k31 h SER 171 CO 0.00 0.59 0.41 0.58 -0.87 0.00 0.00 176.83 177.54 3k31 h VAL 172 N 0.97 0.84 -0.08 0.95 2.07 -1.13 0.11 116.25 119.98 3k31 h VAL 172 Ca 0.26 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 3k31 h VAL 172 Cb -0.10 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 29.78 3k31 h VAL 172 CO -0.06 0.12 -0.02 0.11 0.02 0.00 0.00 177.57 177.74 3k31 h LYS 173 N 0.67 0.15 -0.46 1.57 1.57 -1.32 -0.85 116.57 117.90 3k31 h LYS 173 Ca 0.39 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 3k31 h LYS 173 Cb 0.42 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 3k31 h LYS 173 CO -0.28 0.48 0.29 1.88 -0.57 0.00 0.00 179.45 181.24 3k31 h TYR 174 N -0.20 0.59 -0.91 -1.35 0.05 -1.19 -2.64 116.97 111.32 3k31 h TYR 174 Ca 0.02 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 3k31 h TYR 174 Cb 0.43 -0.20 -0.04 0.00 1.01 0.00 0.00 36.73 37.93 3k31 h TYR 174 CO 0.05 0.40 0.52 -0.07 -1.05 0.00 0.00 178.16 178.01 3k31 h LEU 175 N 0.61 1.11 -1.02 3.88 3.38 -0.79 -2.26 115.31 120.23 3k31 h LEU 175 Ca 0.17 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.08 3k31 h LEU 175 Cb -0.03 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.38 3k31 h LEU 175 CO -0.03 0.88 0.66 0.00 0.09 0.00 0.00 178.44 180.03 3k31 h ALA 176 N 1.31 1.34 -0.35 1.53 0.00 -0.85 -0.01 119.26 122.22 3k31 h ALA 176 Ca 0.32 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 3k31 h ALA 176 Cb -0.01 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 3k31 h ALA 176 CO -0.06 0.57 0.06 0.28 0.00 0.00 0.00 179.25 180.11 3k31 h VAL 177 N 1.28 1.24 -0.51 0.00 2.07 -1.14 -0.88 116.25 118.31 3k31 h VAL 177 Ca 0.39 -0.84 -0.05 0.00 0.82 0.00 0.00 66.70 67.02 3k31 h VAL 177 Cb -0.03 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 3k31 h VAL 177 CO -0.12 0.28 0.10 0.44 0.02 0.00 0.00 177.57 178.30 3k31 h ASP 178 N 0.42 0.79 0.19 0.57 3.32 -0.89 -3.27 116.42 117.55 3k31 h ASP 178 Ca 0.11 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.91 3k31 h ASP 178 Cb 0.36 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3k31 h ASP 178 CO 0.01 0.83 -0.73 0.18 -1.72 0.00 0.00 179.24 177.81 3k31 n LEU 179 N -4.42 0.92 0.22 1.55 4.77 -0.06 -4.45 117.00 115.52 3k31 n LEU 179 Ca 0.01 -0.33 0.08 0.00 -0.03 0.00 0.00 56.01 55.74 3k31 n LEU 179 Cb 0.24 -0.09 0.48 0.00 -2.33 0.00 0.00 43.42 41.72 3k31 n LEU 179 CO 0.40 0.21 0.80 1.23 -1.33 0.00 0.00 177.39 178.71 3k31 h GLY 180 N 4.98 0.00 1.01 -0.72 0.00 -1.20 -2.72 103.07 104.42 3k31 h GLY 180 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3k31 h GLY 180 CO 0.00 0.00 0.60 0.07 0.00 0.00 0.00 176.54 177.21 3k31 h LYS 181 N 0.00 1.23 0.00 4.80 5.09 -1.78 0.13 116.57 126.04 3k31 h LYS 181 Ca -0.00 -0.09 0.00 0.00 0.09 0.00 0.00 60.65 60.65 3k31 h LYS 181 Cb 0.66 -0.27 0.00 0.00 0.10 0.00 0.00 32.23 32.72 3k31 h LYS 181 CO 0.03 0.83 0.00 1.04 -2.09 0.00 0.00 179.45 179.26 3k31 n GLN 182 N -4.42 0.75 -2.47 0.07 6.02 -1.13 -4.87 117.38 111.34 3k31 n GLN 182 Ca 0.10 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.92 3k31 n GLN 182 Cb 0.03 -1.16 0.00 0.00 1.02 0.00 0.00 30.24 30.13 3k31 n GLN 182 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3k31 n GLN 183 N -0.66 -2.05 -3.36 -1.09 1.13 0.45 -2.94 117.38 108.86 3k31 n GLN 183 Ca 0.06 0.80 -0.40 0.00 -1.94 0.00 0.00 57.00 55.52 3k31 n GLN 183 Cb 0.03 -5.27 -0.09 0.00 0.11 0.00 0.00 30.24 25.02 3k31 n GLN 183 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3k31 s ILE 184 N -2.90 5.13 0.26 5.09 1.01 -1.04 -2.24 121.20 126.51 3k31 s ILE 184 Ca 0.06 0.32 -0.17 0.00 0.00 0.00 0.00 60.65 60.86 3k31 s ILE 184 Cb -0.03 -3.81 -0.08 0.00 0.01 0.00 0.00 42.46 38.55 3k31 s ILE 184 CO 0.08 -0.02 0.72 -0.13 0.00 0.00 0.00 174.94 175.58 3k31 s ARG 185 N 2.13 4.13 -0.08 2.79 3.00 -0.21 -3.66 118.95 127.05 3k31 s ARG 185 Ca 0.15 0.76 -0.00 0.00 0.00 0.00 0.00 55.73 56.64 3k31 s ARG 185 Cb -0.16 -2.70 0.02 0.00 0.00 0.00 0.00 34.95 32.11 3k31 s ARG 185 CO 0.11 0.30 -0.04 0.08 0.00 0.00 0.00 175.30 175.75 3k31 s VAL 186 N -1.70 0.71 0.20 3.52 1.01 -1.26 -0.55 120.40 122.33 3k31 s VAL 186 Ca 0.47 -0.12 -0.07 0.00 0.00 0.00 0.00 61.98 62.27 3k31 s VAL 186 Cb -0.14 -0.78 -0.02 0.00 0.00 0.00 0.00 36.38 35.44 3k31 s VAL 186 CO 0.19 0.31 0.27 0.20 0.00 0.00 0.00 175.10 176.07 3k31 s ASN 187 N 1.63 0.06 0.09 3.32 0.01 -0.64 0.47 114.94 119.90 3k31 s ASN 187 Ca 0.01 -1.10 0.06 0.00 -0.71 0.00 0.00 52.86 51.13 3k31 s ASN 187 Cb -0.13 0.45 -0.03 0.00 0.41 0.00 0.00 41.25 41.95 3k31 s ASN 187 CO -0.05 -0.93 -0.16 0.00 -1.51 0.00 0.00 177.10 174.45 3k31 s ALA 188 N -4.06 1.41 -0.21 0.60 0.00 -0.02 -1.43 121.76 118.06 3k31 s ALA 188 Ca 0.27 -1.15 -0.04 0.00 0.00 0.00 0.00 51.96 51.04 3k31 s ALA 188 Cb 0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 3k31 s ALA 188 CO 0.07 0.19 -0.02 0.42 0.00 0.00 0.00 175.76 176.42 3k31 s ILE 189 N -1.53 3.65 -0.61 0.00 1.01 -0.52 -1.14 121.20 122.07 3k31 s ILE 189 Ca 0.03 -0.41 -0.20 0.00 0.00 0.00 0.00 60.65 60.08 3k31 s ILE 189 Cb -0.08 -2.66 0.10 0.00 0.01 0.00 0.00 42.46 39.83 3k31 s ILE 189 CO 0.03 0.42 0.76 -0.55 0.00 0.00 0.00 174.94 175.60 3k31 s SER 190 N 1.28 6.18 0.08 3.58 0.15 0.24 -0.30 113.70 124.91 3k31 s SER 190 Ca 0.04 -1.34 -0.14 0.00 0.70 0.00 0.00 55.95 55.21 3k31 s SER 190 Cb -0.14 -2.33 -0.06 0.00 -1.71 0.00 0.00 66.02 61.78 3k31 s SER 190 CO -0.00 -1.19 0.48 0.00 1.20 0.00 0.00 173.24 173.73 3k31 s ALA 191 N 2.99 3.65 0.87 5.45 0.00 -0.92 -0.68 121.76 133.11 3k31 s ALA 191 Ca 0.14 -0.19 -0.11 0.00 0.00 0.00 0.00 51.96 51.79 3k31 s ALA 191 Cb -0.23 -2.44 0.11 0.00 0.00 0.00 0.00 23.12 20.57 3k31 s ALA 191 CO 0.07 0.48 1.09 0.20 0.00 0.00 0.00 175.76 177.61 3k31 s GLY 192 N -1.48 1.62 0.51 0.00 0.00 -0.31 -4.59 107.32 103.06 3k31 s GLY 192 Ca 0.32 -0.10 -0.22 0.00 0.00 0.00 0.00 44.72 44.72 3k31 s GLY 192 CO 0.17 0.37 1.26 2.56 0.00 0.00 0.00 173.10 177.46 3k31 s PRO 193 N -5.00 3.41 0.06 2.90 0.04 -1.26 -4.80 135.00 130.36 3k31 s PRO 193 Ca 0.63 2.00 0.06 0.00 0.04 0.00 0.00 61.00 63.73 3k31 s PRO 193 Cb -0.17 -2.31 -0.03 0.00 0.04 0.00 0.00 34.50 32.04 3k31 s PRO 193 CO 0.56 -0.90 -0.18 0.14 0.04 0.00 0.00 177.00 176.66 3k31 s VAL 194 N -1.43 1.43 -0.26 -0.36 -7.23 -1.26 -3.98 120.40 107.31 3k31 s VAL 194 Ca 0.68 -1.22 -0.29 0.00 -1.81 0.00 0.00 61.98 59.35 3k31 s VAL 194 Cb -0.34 -1.29 -0.00 0.00 0.56 0.00 0.00 36.38 35.31 3k31 s VAL 194 CO 0.41 0.04 1.28 0.00 -0.31 0.00 0.00 175.10 176.52 3k31 s ARG 195 N -1.38 4.02 -0.05 4.82 3.03 -1.26 -4.86 118.95 123.27 3k31 s ARG 195 Ca 0.04 1.37 0.17 0.00 2.03 0.00 0.00 55.73 59.35 3k31 s ARG 195 Cb -0.09 -3.84 -0.26 0.00 -1.03 0.00 0.00 34.95 29.73 3k31 s ARG 195 CO 0.02 -0.99 0.33 0.25 -1.13 0.00 0.00 175.30 173.78 3k31 n THR 196 N 5.94 0.21 -4.78 4.99 -2.24 -1.26 -5.00 114.28 112.13 3k31 n THR 196 Ca 0.14 -0.46 -0.29 0.00 -2.27 0.00 0.00 64.05 61.17 3k31 n THR 196 Cb 0.46 -0.03 -0.14 0.00 -2.10 0.00 0.00 70.33 68.52 3k31 n THR 196 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3k31 s LEU 197 N -4.42 2.19 0.29 3.22 1.02 -1.26 -4.90 118.68 114.82 3k31 s LEU 197 Ca -0.07 -0.60 -0.02 0.00 0.02 0.00 0.00 54.13 53.46 3k31 s LEU 197 Cb 0.10 -1.22 0.42 0.00 0.02 0.00 0.00 46.19 45.51 3k31 s LEU 197 CO 0.73 0.23 1.94 0.00 0.02 0.00 0.00 176.35 179.27 3k31 h ALA 198 N 4.67 1.36 -2.81 4.21 0.00 -2.04 -3.40 119.26 121.25 3k31 h ALA 198 Ca -0.46 -0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.18 3k31 h ALA 198 Cb 1.15 -0.32 -0.31 0.00 0.00 0.00 0.00 17.79 18.32 3k31 h ALA 198 CO 0.43 0.56 -0.47 -1.54 0.00 0.00 0.00 179.25 178.22 3k31 s SER 199 N -6.34 0.06 0.24 0.00 1.04 -1.26 -5.02 113.70 102.42 3k31 s SER 199 Ca -0.11 0.68 0.25 0.00 0.48 0.00 0.00 55.95 57.25 3k31 s SER 199 Cb 0.17 0.77 0.65 0.00 0.10 0.00 0.00 66.02 67.71 3k31 s SER 199 CO 0.80 -0.22 1.67 0.77 0.98 0.00 0.00 173.24 177.23 3k31 h SER 200 N 7.97 0.00 -0.05 7.02 4.64 -2.01 -3.47 113.55 127.65 3k31 h SER 200 Ca -0.21 -0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.06 3k31 h SER 200 Cb 1.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 3k31 h SER 200 CO 0.19 0.01 -0.02 0.61 -0.87 0.00 0.00 176.83 176.75 3k31 n GLY 201 N 1.27 0.41 3.22 -0.77 0.00 -1.26 -5.00 105.19 103.06 3k31 n GLY 201 Ca 0.05 -0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 3k31 n GLY 201 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k31 s ILE 202 N -1.73 3.10 0.34 -0.61 1.01 -1.26 -5.00 121.20 117.05 3k31 s ILE 202 Ca 0.00 -1.03 0.01 0.00 0.00 0.00 0.00 60.65 59.64 3k31 s ILE 202 Cb 0.00 -2.61 0.27 0.00 0.01 0.00 0.00 42.46 40.12 3k31 s ILE 202 CO 0.00 0.12 1.99 0.77 0.00 0.00 0.00 174.94 177.83 3k31 h SER 203 N 8.05 0.78 -0.70 3.58 4.64 -2.00 -1.91 113.55 125.99 3k31 h SER 203 Ca -0.30 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 60.97 3k31 h SER 203 Cb 1.10 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 62.97 3k31 h SER 203 CO 0.57 0.56 0.35 0.44 -0.87 0.00 0.00 176.83 177.88 3k31 h ASP 204 N 0.92 0.92 -0.37 4.97 3.32 -1.99 -0.50 116.42 123.69 3k31 h ASP 204 Ca 0.26 -0.10 -0.09 0.00 0.02 0.00 0.00 57.03 57.12 3k31 h ASP 204 Cb -0.07 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.23 3k31 h ASP 204 CO -0.06 0.78 -0.12 -0.26 -1.72 0.00 0.00 179.24 177.86 3k31 h PHE 205 N 1.02 0.84 -0.56 4.55 0.04 -1.76 -0.22 116.94 120.84 3k31 h PHE 205 Ca 0.25 -0.19 0.08 0.00 2.80 0.00 0.00 57.97 60.91 3k31 h PHE 205 Cb 0.10 -0.20 -0.07 0.00 2.20 0.00 0.00 35.95 37.98 3k31 h PHE 205 CO 0.01 0.90 0.20 1.25 -0.60 0.00 0.00 178.31 180.07 3k31 h HIS 206 N 0.54 0.35 -0.21 -0.55 2.76 -1.05 -1.65 115.15 115.35 3k31 h HIS 206 Ca 0.09 0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.32 3k31 h HIS 206 Cb 0.65 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.50 3k31 h HIS 206 CO 0.05 0.10 0.04 -0.92 -1.30 0.00 0.00 177.93 175.90 3k31 h TYR 207 N 0.38 0.06 -0.23 5.26 3.20 -0.87 -1.52 116.97 123.25 3k31 h TYR 207 Ca 0.28 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.18 3k31 h TYR 207 Cb 0.32 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 3k31 h TYR 207 CO -0.17 0.01 0.10 0.82 -1.64 0.00 0.00 178.16 177.29 3k31 h ILE 208 N 0.12 0.98 -0.30 1.81 2.04 -0.78 0.25 117.51 121.62 3k31 h ILE 208 Ca 0.09 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 3k31 h ILE 208 Cb 0.09 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 3k31 h ILE 208 CO -0.13 0.04 0.14 0.25 0.00 0.00 0.00 178.15 178.45 3k31 h LEU 209 N 0.22 0.40 -0.42 1.44 5.85 -1.24 -1.62 115.31 119.95 3k31 h LEU 209 Ca 0.10 -0.14 -0.16 0.00 0.84 0.00 0.00 57.88 58.51 3k31 h LEU 209 Cb 0.04 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 3k31 h LEU 209 CO -0.08 0.43 -0.39 0.00 -0.34 0.00 0.00 178.44 178.06 3k31 h THR 210 N 0.35 1.27 -0.68 1.05 1.03 -1.07 -1.14 112.91 113.72 3k31 h THR 210 Ca 0.10 -1.57 0.00 0.00 -0.01 0.00 0.00 66.41 64.93 3k31 h THR 210 Cb 0.14 1.40 -0.03 0.00 -1.07 0.00 0.00 68.15 68.60 3k31 h THR 210 CO -0.01 0.52 0.43 -0.25 -0.01 0.00 0.00 175.52 176.20 3k31 h TRP 211 N 0.74 0.88 -0.58 0.00 2.91 -0.41 -1.52 115.95 117.97 3k31 h TRP 211 Ca 0.06 0.01 -0.08 0.00 1.13 0.00 0.00 58.89 60.01 3k31 h TRP 211 Cb 0.98 -0.29 -0.02 0.00 -0.51 0.00 0.00 29.16 29.32 3k31 h TRP 211 CO 0.06 0.57 0.06 -0.91 -1.03 0.00 0.00 178.44 177.20 3k31 h ASN 212 N 0.93 0.94 -0.06 2.65 2.35 -1.16 -1.56 115.58 119.66 3k31 h ASN 212 Ca 0.25 -0.28 0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3k31 h ASN 212 Cb -0.07 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.03 3k31 h ASN 212 CO -0.05 0.98 -0.03 0.50 -1.65 0.00 0.00 177.43 177.19 3k31 h LYS 213 N 0.87 -0.02 0.00 0.81 3.64 -0.71 -1.63 116.57 119.52 3k31 h LYS 213 Ca 0.17 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.50 3k31 h LYS 213 Cb 0.46 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 3k31 h LYS 213 CO 0.02 -0.01 -0.56 1.88 -2.27 0.00 0.00 179.45 178.51 3k31 h TYR 214 N -0.02 0.00 -0.00 1.91 0.05 -1.23 -2.83 116.97 114.84 3k31 h TYR 214 Ca 0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.81 3k31 h TYR 214 Cb 0.07 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.81 3k31 h TYR 214 CO -0.13 0.24 -0.50 0.09 -1.05 0.00 0.00 178.16 176.81 3k31 n ASN 215 N -3.03 0.98 -4.77 3.88 3.02 -0.59 -4.71 115.26 110.03 3k31 n ASN 215 Ca 0.01 -0.99 -0.36 0.00 -0.03 0.00 0.00 54.58 53.21 3k31 n ASN 215 Cb 0.64 0.79 -0.00 0.00 -0.61 0.00 0.00 39.78 40.60 3k31 n ASN 215 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3k31 s SER 216 N -2.06 5.93 0.30 6.41 1.04 -0.62 -4.41 113.70 120.29 3k31 s SER 216 Ca 0.08 2.20 0.06 0.00 0.48 0.00 0.00 55.95 58.77 3k31 s SER 216 Cb 0.11 -2.59 0.76 0.00 0.10 0.00 0.00 66.02 64.40 3k31 s SER 216 CO 0.48 -1.08 1.74 -0.65 0.98 0.00 0.00 173.24 174.71 3k31 h PRO 217 N 1.53 0.57 -0.00 4.02 0.11 -1.75 -0.23 132.00 136.25 3k31 h PRO 217 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3k31 h PRO 217 Cb 1.25 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3k31 h PRO 217 CO 0.58 0.38 -0.06 1.28 -0.21 0.00 0.00 178.00 179.97 3k31 n LEU 218 N -4.89 0.28 -3.84 2.35 4.77 -1.00 -4.93 117.00 109.74 3k31 n LEU 218 Ca 0.23 0.09 -0.28 0.00 -0.03 0.00 0.00 56.01 56.03 3k31 n LEU 218 Cb 0.64 -0.19 0.03 0.00 -2.33 0.00 0.00 43.42 41.57 3k31 n LEU 218 CO 0.17 0.05 0.08 -2.11 -1.33 0.00 0.00 177.39 174.26 3k31 n ARG 219 N -1.05 -5.62 -3.87 3.23 -4.01 -0.10 -4.97 116.66 100.28 3k31 n ARG 219 Ca 0.16 0.62 -0.09 0.00 -1.04 0.00 0.00 57.85 57.50 3k31 n ARG 219 Cb 0.25 -5.46 -0.04 0.00 -3.04 0.00 0.00 32.46 24.17 3k31 n ARG 219 CO 0.00 0.00 0.00 -0.98 -3.04 0.00 0.00 177.63 173.61 3k31 s ARG 220 N -6.45 1.54 0.44 2.89 1.70 -1.07 -4.81 118.95 113.20 3k31 s ARG 220 Ca 0.51 -1.04 -0.12 0.00 -0.47 0.00 0.00 55.73 54.61 3k31 s ARG 220 Cb -0.25 0.52 -0.07 0.00 -0.57 0.00 0.00 34.95 34.59 3k31 s ARG 220 CO 0.82 -0.66 0.83 -0.80 -1.08 0.00 0.00 175.30 174.40 3k31 s ASN 221 N -2.94 6.52 0.42 -2.89 -0.87 -1.26 -4.47 114.94 109.46 3k31 s ASN 221 Ca 0.15 1.24 -0.25 0.00 -1.57 0.00 0.00 52.86 52.42 3k31 s ASN 221 Cb -0.02 -2.37 -0.10 0.00 -0.02 0.00 0.00 41.25 38.74 3k31 s ASN 221 CO 0.04 -0.47 1.27 0.41 -2.57 0.00 0.00 177.10 175.78 3k31 n THR 222 N -1.45 2.57 -4.12 1.60 -1.04 -1.26 -5.00 114.28 105.58 3k31 n THR 222 Ca 0.03 -0.50 -0.24 0.00 -2.04 0.00 0.00 64.05 61.31 3k31 n THR 222 Cb 0.54 -1.57 -0.07 0.00 -1.82 0.00 0.00 70.33 67.42 3k31 n THR 222 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3k31 s THR 223 N -1.20 2.72 0.32 12.58 -4.23 -1.26 -4.61 115.64 119.95 3k31 s THR 223 Ca 0.61 -1.72 0.00 0.00 -1.18 0.00 0.00 61.69 59.40 3k31 s THR 223 Cb -0.51 -2.96 0.22 0.00 1.34 0.00 0.00 72.50 70.60 3k31 s THR 223 CO 0.58 -0.12 1.94 -0.07 -0.54 0.00 0.00 174.62 176.41 3k31 h LEU 224 N 1.52 0.78 -0.93 4.79 3.38 -1.95 -2.19 115.31 120.72 3k31 h LEU 224 Ca -0.43 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3k31 h LEU 224 Cb 1.25 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.76 3k31 h LEU 224 CO 0.66 0.64 0.59 0.44 0.09 0.00 0.00 178.44 180.85 3k31 h ASP 225 N 0.88 1.09 0.05 -0.43 3.32 -1.96 -0.35 116.42 119.03 3k31 h ASP 225 Ca 0.22 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3k31 h ASP 225 Cb 0.03 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 3k31 h ASP 225 CO -0.04 0.81 -0.06 0.44 -1.72 0.00 0.00 179.24 178.68 3k31 h ASP 226 N 1.27 -0.16 -0.29 6.45 3.32 -1.81 -1.46 116.42 123.73 3k31 h ASP 226 Ca 0.34 0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.31 3k31 h ASP 226 Cb -0.10 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 3k31 h ASP 226 CO -0.07 -0.10 -0.14 0.58 -1.72 0.00 0.00 179.24 177.79 3k31 h VAL 227 N -0.13 1.26 -0.65 -1.35 2.07 -1.29 -2.34 116.25 113.81 3k31 h VAL 227 Ca 0.01 -1.20 0.01 0.00 0.82 0.00 0.00 66.70 66.34 3k31 h VAL 227 Cb 0.14 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 3k31 h VAL 227 CO -0.03 0.40 0.43 1.23 0.02 0.00 0.00 177.57 179.62 3k31 h GLY 228 N 0.98 0.92 0.97 2.17 0.00 -0.85 -0.81 103.07 106.45 3k31 h GLY 228 Ca 0.11 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 3k31 h GLY 228 CO 0.04 0.31 0.21 -1.33 0.00 0.00 0.00 176.54 175.78 3k31 h GLY 229 N 0.86 0.78 1.03 4.60 0.00 -0.97 0.78 103.07 110.15 3k31 h GLY 229 Ca 0.25 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 3k31 h GLY 229 CO -0.07 0.39 0.50 0.00 0.00 0.00 0.00 176.54 177.36 3k31 h ALA 230 N 1.05 1.16 -0.57 3.60 0.00 -1.21 -1.97 119.26 121.32 3k31 h ALA 230 Ca 0.17 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3k31 h ALA 230 Cb 0.17 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3k31 h ALA 230 CO -0.02 0.66 0.22 0.00 0.00 0.00 0.00 179.25 180.11 3k31 h ALA 231 N 1.27 0.74 -0.61 0.00 0.00 -0.80 -1.79 119.26 118.08 3k31 h ALA 231 Ca 0.32 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.15 3k31 h ALA 231 Cb 0.02 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 17.52 3k31 h ALA 231 CO -0.05 0.37 0.24 -0.07 0.00 0.00 0.00 179.25 179.73 3k31 h LEU 232 N 0.79 0.25 0.06 0.00 3.38 -0.43 0.85 115.31 120.21 3k31 h LEU 232 Ca 0.19 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.26 3k31 h LEU 232 Cb 0.22 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 3k31 h LEU 232 CO -0.01 0.15 -0.42 0.22 0.09 0.00 0.00 178.44 178.46 3k31 h TYR 233 N 0.43 -1.20 -0.06 1.13 3.20 -1.12 -1.65 116.97 117.70 3k31 h TYR 233 Ca 0.30 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 62.08 3k31 h TYR 233 Cb 0.36 0.52 -0.01 0.00 1.54 0.00 0.00 36.73 39.13 3k31 h TYR 233 CO -0.16 -0.51 -0.54 -0.07 -1.64 0.00 0.00 178.16 175.24 3k31 h LEU 234 N -0.62 0.18 0.00 2.82 3.38 -0.83 -1.03 115.31 119.21 3k31 h LEU 234 Ca 0.03 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3k31 h LEU 234 Cb 0.67 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3k31 h LEU 234 CO -0.28 0.68 -1.07 0.18 0.09 0.00 0.00 178.44 178.04 3k31 n LEU 235 N -3.91 0.69 0.00 1.67 4.77 0.25 -4.63 117.00 115.84 3k31 n LEU 235 Ca -0.02 0.22 -0.17 0.00 -0.03 0.00 0.00 56.01 56.01 3k31 n LEU 235 Cb 0.56 -0.08 0.08 0.00 -2.33 0.00 0.00 43.42 41.66 3k31 n LEU 235 CO 0.43 -0.11 0.38 -1.54 -1.33 0.00 0.00 177.39 175.22 3k31 n SER 236 N -2.43 1.32 0.12 -1.43 3.41 -0.62 -4.82 113.62 109.16 3k31 n SER 236 Ca 0.00 -2.03 0.11 0.00 -0.26 0.00 0.00 58.87 56.69 3k31 n SER 236 Cb 0.52 -0.44 0.47 0.00 -0.26 0.00 0.00 64.21 64.49 3k31 n SER 236 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3k31 n ASP 237 N -2.74 0.54 0.08 4.04 8.00 -1.26 -2.21 116.55 123.00 3k31 n ASP 237 Ca 0.13 0.66 0.05 0.00 0.71 0.00 0.00 54.79 56.34 3k31 n ASP 237 Cb 0.47 -0.76 0.47 0.00 -0.02 0.00 0.00 41.12 41.28 3k31 n ASP 237 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3k31 h LEU 238 N 0.00 0.33 -2.86 0.64 3.38 -1.87 -3.01 115.31 111.93 3k31 h LEU 238 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3k31 h LEU 238 Cb 0.27 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3k31 h LEU 238 CO 0.00 0.26 0.00 0.61 0.09 0.00 0.00 178.44 179.40 3k31 n GLY 239 N -1.43 2.46 0.31 0.83 0.00 -0.39 -4.61 105.19 102.36 3k31 n GLY 239 Ca 0.01 -0.75 0.16 0.00 0.00 0.00 0.00 46.02 45.44 3k31 n GLY 239 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3k31 h ARG 240 N 3.56 0.00 -0.30 1.61 3.08 -1.69 -2.14 114.38 118.49 3k31 h ARG 240 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3k31 h ARG 240 Cb 1.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.46 3k31 h ARG 240 CO 0.25 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.56 3k31 n GLY 241 N -1.33 1.28 3.28 0.04 0.00 -1.26 -4.88 105.19 102.31 3k31 n GLY 241 Ca -0.02 -0.65 -0.33 0.00 0.00 0.00 0.00 46.02 45.02 3k31 n GLY 241 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k31 s THR 242 N -1.62 2.84 0.04 2.61 2.01 -0.81 -5.10 115.64 115.62 3k31 s THR 242 Ca 0.36 -0.70 -0.16 0.00 0.31 0.00 0.00 61.69 61.50 3k31 s THR 242 Cb 0.21 -2.22 0.03 0.00 0.01 0.00 0.00 72.50 70.53 3k31 s THR 242 CO 0.30 0.50 0.36 0.28 -0.69 0.00 0.00 174.62 175.38 3k31 s THR 243 N 0.89 0.07 -0.23 -0.82 -1.32 -1.26 -4.71 115.64 108.26 3k31 s THR 243 Ca -0.03 -0.55 0.00 0.00 -1.21 0.00 0.00 61.69 59.90 3k31 s THR 243 Cb -0.15 -0.94 0.00 0.00 -1.51 0.00 0.00 72.50 69.90 3k31 s THR 243 CO -0.01 -0.30 0.00 0.61 -2.21 0.00 0.00 174.62 172.71 3k31 n GLY 244 N 0.55 0.49 3.90 6.08 0.00 0.18 -4.96 105.19 111.42 3k31 n GLY 244 Ca -0.19 -0.18 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 3k31 n GLY 244 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3k31 s GLU 245 N -1.27 3.34 -0.30 1.61 2.56 -1.25 -4.55 118.70 118.84 3k31 s GLU 245 Ca 0.00 -0.51 -0.02 0.00 0.00 0.00 0.00 54.97 54.45 3k31 s GLU 245 Cb 0.00 -2.97 0.05 0.00 2.00 0.00 0.00 34.13 33.21 3k31 s GLU 245 CO 0.00 0.59 0.01 0.99 -0.56 0.00 0.00 175.26 176.29 3k31 s THR 246 N -1.52 3.00 -0.19 -1.70 2.01 -1.26 -0.84 115.64 115.14 3k31 s THR 246 Ca 0.34 -1.41 -0.17 0.00 0.31 0.00 0.00 61.69 60.75 3k31 s THR 246 Cb -0.13 -2.74 -0.04 0.00 0.01 0.00 0.00 72.50 69.61 3k31 s THR 246 CO 0.27 -0.13 0.47 -0.69 -0.69 0.00 0.00 174.62 173.85 3k31 s VAL 247 N 1.25 5.15 -0.19 3.82 1.01 -0.29 -4.85 120.40 126.29 3k31 s VAL 247 Ca -0.05 0.86 -0.27 0.00 0.00 0.00 0.00 61.98 62.52 3k31 s VAL 247 Cb -0.20 -3.79 -0.00 0.00 0.00 0.00 0.00 36.38 32.38 3k31 s VAL 247 CO -0.01 0.22 0.92 -1.00 0.00 0.00 0.00 175.10 175.23 3k31 s HIS 248 N 1.42 3.39 -0.61 5.22 3.76 -1.26 -0.59 115.29 126.61 3k31 s HIS 248 Ca 0.22 1.35 0.05 0.00 -0.15 0.00 0.00 55.06 56.54 3k31 s HIS 248 Cb -0.15 -3.13 0.19 0.00 1.11 0.00 0.00 32.58 30.60 3k31 s HIS 248 CO 0.09 -0.34 0.52 0.28 -0.85 0.00 0.00 174.74 174.44 3k31 n VAL 249 N 4.99 1.09 -2.03 -0.90 0.31 0.14 -4.84 118.33 117.09 3k31 n VAL 249 Ca 0.08 -4.61 0.00 0.00 -0.01 0.00 0.00 64.34 59.79 3k31 n VAL 249 Cb 0.48 -2.05 -0.00 0.00 -0.91 0.00 0.00 33.84 31.35 3k31 n VAL 249 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3k31 n ASP 250 N 1.84 0.03 -1.74 4.52 5.75 -1.26 -1.16 116.55 124.52 3k31 n ASP 250 Ca 0.24 -1.70 -0.20 0.00 -0.01 0.00 0.00 54.79 53.12 3k31 n ASP 250 Cb 0.40 -0.13 -0.07 0.00 -1.03 0.00 0.00 41.12 40.29 3k31 n ASP 250 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3k31 n GLY 252 N -0.58 0.74 0.35 0.00 0.00 -1.26 -2.39 105.19 102.05 3k31 n GLY 252 Ca -0.21 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.88 3k31 n GLY 252 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3k31 h TYR 253 N 0.00 0.68 -0.06 1.61 3.20 -1.76 -1.66 116.97 118.98 3k31 h TYR 253 Ca 0.00 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.90 3k31 h TYR 253 Cb 0.00 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.04 3k31 h TYR 253 CO 0.00 0.36 0.19 1.12 -1.64 0.00 0.00 178.16 178.19 3k31 h HIS 254 N 0.67 0.00 -0.00 -3.82 2.07 -1.93 -0.53 115.15 111.60 3k31 h HIS 254 Ca 0.29 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.81 3k31 h HIS 254 Cb 0.27 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.25 3k31 h HIS 254 CO -0.00 0.00 -0.21 1.33 -3.07 0.00 0.00 177.93 175.98 3k31 n VAL 255 N -3.22 0.00 -2.57 6.12 0.24 -0.62 -4.89 118.33 113.38 3k31 n VAL 255 Ca -0.01 -0.02 -0.43 0.00 -2.04 0.00 0.00 64.34 61.84 3k31 n VAL 255 Cb 0.27 -0.10 -0.02 0.00 -1.47 0.00 0.00 33.84 32.51 3k31 n VAL 255 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3k31 s VAL 256 N -2.84 4.44 -0.71 3.34 1.01 -0.21 -4.92 120.40 120.50 3k31 s VAL 256 Ca 0.17 1.68 0.24 0.00 0.00 0.00 0.00 61.98 64.07 3k31 s VAL 256 Cb 0.19 -4.30 0.02 0.00 0.00 0.00 0.00 36.38 32.28 3k31 s VAL 256 CO 0.57 -0.39 1.30 0.61 0.00 0.00 0.00 175.10 177.19 3k31 n GLY 257 N 3.84 -1.35 0.47 4.51 0.00 -1.26 -4.90 105.19 106.50 3k31 n GLY 257 Ca 0.13 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3k31 n GLY 257 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3k31 n MET 258 N -1.95 0.00 -3.51 1.61 0.00 -1.26 -5.18 117.12 106.82 3k31 n MET 258 Ca 0.04 0.00 -0.08 0.00 -0.00 0.00 0.00 57.70 57.65 3k31 n MET 258 Cb 0.42 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.62 3k31 n MET 258 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 3k31 s LYS 259 N -0.24 0.86 0.19 2.12 -2.85 -1.26 -5.14 119.74 113.43 3k31 s LYS 259 Ca 0.00 -0.33 -0.30 0.00 -1.00 0.00 0.00 55.97 54.34 3k31 s LYS 259 Cb 0.00 0.39 -0.08 0.00 -2.06 0.00 0.00 37.83 36.08 3k31 s LYS 259 CO 0.00 -0.38 1.25 0.45 0.10 0.00 0.00 175.35 176.77 3k31 s SER 260 N -2.52 6.99 0.00 0.03 0.15 -1.26 -5.11 113.70 111.99 3k31 s SER 260 Ca 0.05 2.31 0.03 0.00 0.70 0.00 0.00 55.95 59.04 3k31 s SER 260 Cb -0.01 -2.61 0.03 0.00 -1.71 0.00 0.00 66.02 61.72 3k31 s SER 260 CO -0.09 -0.45 0.61 0.55 1.20 0.00 0.00 173.24 175.06